DPPE - 128 lipids & 40 H2O/lipid 30848 1DPPE N 1 4.034 2.062 5.747 -0.0988 -0.3874 0.1422 1DPPE HN1 2 3.932 2.041 5.748 -0.3618 0.8082 -0.2982 1DPPE HN2 3 4.083 1.985 5.696 1.0894 1.0938 -1.0231 1DPPE HN3 4 4.065 2.058 5.846 -0.3846 1.6332 0.3380 1DPPE C12 5 4.039 2.197 5.680 -0.3522 -0.4751 -0.0576 1DPPE H12A 6 3.964 2.197 5.598 -0.4417 2.5231 -0.0822 1DPPE H12B 7 4.143 2.214 5.645 0.1440 -2.3030 0.4114 1DPPE C11 8 4.000 2.307 5.780 0.4905 0.1705 -0.4256 1DPPE H11A 9 3.989 2.403 5.726 -1.4733 -0.4753 -1.2458 1DPPE H11B 10 4.075 2.310 5.862 -1.7161 -0.2185 1.7144 1DPPE P 11 3.834 2.392 5.953 -0.1675 -0.4539 0.1783 1DPPE O13 12 3.920 2.389 6.073 0.3305 0.2421 -0.1499 1DPPE O14 13 3.689 2.386 5.981 -0.2472 -0.2581 -0.1855 1DPPE O11 14 3.862 2.529 5.875 0.8004 -0.5465 0.3577 1DPPE O12 15 3.879 2.279 5.849 0.9076 -0.0793 0.2190 1DPPE C1 16 3.903 2.640 5.956 -0.7163 0.2663 0.0517 1DPPE HA 17 3.922 2.728 5.891 1.4712 0.3689 0.7572 1DPPE HB 18 4.002 2.626 6.005 -1.6337 -2.9640 1.2861 1DPPE C2 19 3.795 2.685 6.056 -0.2899 0.3430 0.4838 1DPPE HS 20 3.779 2.605 6.131 0.7929 -2.3699 -2.0001 1DPPE O21 21 3.675 2.707 5.982 0.1361 -0.0550 -0.3432 1DPPE C21 22 3.565 2.699 6.058 0.1458 0.4669 -0.2722 1DPPE O22 23 3.568 2.665 6.176 0.2598 -0.2106 -0.4656 1DPPE C22 24 3.440 2.707 5.973 -0.0145 -0.7887 -0.1629 1DPPE H2R 25 3.375 2.781 6.025 0.4673 -0.5947 0.1630 1DPPE H2S 26 3.382 2.612 5.967 -0.0725 -0.6936 -1.4488 1DPPE C3 27 3.856 2.805 6.130 0.2829 0.1825 0.2831 1DPPE HX 28 3.942 2.771 6.190 0.1010 0.1239 0.5131 1DPPE HY 29 3.779 2.834 6.206 3.0225 -0.0853 3.3707 1DPPE O31 30 3.895 2.914 6.046 0.4335 0.2031 0.3803 1DPPE C31 31 3.800 2.995 5.999 0.4834 -0.0360 -0.1384 1DPPE O32 32 3.684 2.997 6.037 0.3048 0.2993 -0.6857 1DPPE C32 33 3.855 3.090 5.893 0.0154 0.1997 -0.1755 1DPPE H2X 34 3.962 3.060 5.885 0.5227 2.2004 -1.5224 1DPPE H2Y 35 3.856 3.195 5.928 1.6336 0.6445 -1.4314 1DPPE C23 36 3.470 2.752 5.830 0.2341 -0.6679 -0.0731 1DPPE H3R 37 3.541 2.684 5.777 2.9971 0.6994 1.6637 1DPPE H3S 38 3.534 2.842 5.823 1.6587 -1.7179 -1.1148 1DPPE C24 39 3.344 2.794 5.754 0.7039 0.1441 -0.4109 1DPPE H4R 40 3.363 2.885 5.693 -4.7406 0.7026 -1.8525 1DPPE H4S 41 3.269 2.822 5.831 2.6709 1.3025 1.1747 1DPPE C25 42 3.291 2.682 5.665 -0.3725 -0.0022 0.3837 1DPPE H5R 43 3.257 2.598 5.729 -0.9322 -1.3278 -1.5675 1DPPE H5S 44 3.374 2.644 5.601 -1.0033 1.0869 -1.1355 1DPPE C26 45 3.176 2.727 5.575 -0.2960 -0.1536 0.2101 1DPPE H6R 46 3.114 2.803 5.627 -1.6984 -0.3003 -1.1736 1DPPE H6S 47 3.125 2.630 5.554 -1.2932 1.0700 -3.8450 1DPPE C27 48 3.240 2.789 5.451 -0.3293 0.2694 0.4045 1DPPE H7R 49 3.331 2.739 5.412 0.3039 1.1534 0.7083 1DPPE H7S 50 3.279 2.886 5.490 -1.4872 1.0805 -0.3611 1DPPE C28 51 3.149 2.815 5.331 0.0618 0.2322 0.0973 1DPPE H8R 52 3.052 2.853 5.371 -0.2914 -1.0037 0.4604 1DPPE H8S 53 3.119 2.719 5.282 2.7192 0.1726 -1.6274 1DPPE C29 54 3.204 2.913 5.227 -0.5206 -0.1404 -0.5823 1DPPE H9R 55 3.259 2.998 5.274 -1.1550 0.6959 -1.3207 1DPPE H9S 56 3.122 2.954 5.165 -0.0654 -0.2804 -1.2814 1DPPE C210 57 3.299 2.848 5.126 0.1521 -0.1326 0.0319 1DPPE H10R 58 3.280 2.739 5.116 -0.2877 0.0405 -1.0935 1DPPE H10S 59 3.404 2.860 5.160 0.5017 -0.8172 -0.7761 1DPPE C211 60 3.288 2.905 4.985 -0.1457 -0.0139 0.1021 1DPPE H11R 61 3.306 3.014 4.995 -0.0620 -0.2295 3.1659 1DPPE H11S 62 3.186 2.895 4.942 -0.7929 1.0028 1.3468 1DPPE C212 63 3.396 2.847 4.893 -0.7761 -0.5373 -0.3229 1DPPE H12R 64 3.367 2.741 4.878 -1.6568 -0.3235 -0.2165 1DPPE H12S 65 3.493 2.835 4.945 -0.4914 -2.4432 -1.2324 1DPPE C213 66 3.407 2.925 4.761 0.5959 0.4748 0.3619 1DPPE H13R 67 3.439 3.030 4.777 1.3034 0.2622 0.4151 1DPPE H13S 68 3.309 2.938 4.712 0.7853 0.7018 0.0414 1DPPE C214 69 3.503 2.866 4.657 -0.0009 -0.2165 0.1955 1DPPE H14R 70 3.601 2.859 4.709 -0.8522 -0.6905 1.8045 1DPPE H14S 71 3.504 2.929 4.565 -1.6019 -1.2049 -0.5426 1DPPE C215 72 3.477 2.724 4.607 0.2477 0.1642 -1.0619 1DPPE H15R 73 3.483 2.659 4.698 -0.8091 -0.1871 -1.2319 1DPPE H15S 74 3.547 2.685 4.531 -0.8367 2.6441 -3.4811 1DPPE C216 75 3.332 2.693 4.571 -0.0490 -0.7618 0.7587 1DPPE H16R 76 3.314 2.584 4.576 0.0968 -0.8029 0.4349 1DPPE H16S 77 3.304 2.729 4.469 1.3156 -0.2674 0.5412 1DPPE H16T 78 3.267 2.735 4.651 0.3230 0.2907 0.5316 1DPPE C33 79 3.765 3.075 5.771 -0.1916 -0.4179 0.0483 1DPPE H3X 80 3.800 3.156 5.704 -0.3967 -2.8387 -3.2814 1DPPE H3Y 81 3.655 3.082 5.787 -0.2483 -2.8754 1.2561 1DPPE C34 82 3.793 2.946 5.693 -0.6347 -0.6670 0.2934 1DPPE H4X 83 3.737 2.863 5.741 4.1201 -3.7608 1.1693 1DPPE H4Y 84 3.903 2.933 5.705 -0.6486 0.1786 1.4803 1DPPE C35 85 3.760 2.953 5.544 -0.1918 -0.4054 0.2041 1DPPE H5X 86 3.798 2.857 5.503 1.1559 0.1587 0.0895 1DPPE H5Y 87 3.808 3.041 5.496 -3.0365 1.3946 0.4178 1DPPE C36 88 3.609 2.955 5.516 -0.1434 0.7254 -0.0446 1DPPE H6X 89 3.557 3.041 5.562 1.1120 1.8128 -0.5882 1DPPE H6Y 90 3.575 2.856 5.554 3.4384 -0.1749 1.2163 1DPPE C37 91 3.576 2.953 5.367 0.0446 -0.7716 -0.0910 1DPPE H7X 92 3.467 2.966 5.347 0.3481 1.6422 -0.5196 1DPPE H7Y 93 3.627 2.867 5.319 0.6429 0.1165 -1.0988 1DPPE C38 94 3.630 3.080 5.300 -0.4087 -0.6451 -0.2262 1DPPE H8X 95 3.741 3.073 5.303 -0.3102 0.2607 -1.2414 1DPPE H8Y 96 3.590 3.162 5.363 0.5528 1.2222 -1.9180 1DPPE C39 97 3.589 3.090 5.153 -0.7440 -0.4463 -0.1193 1DPPE H9X 98 3.481 3.107 5.136 -0.2239 2.2208 -1.3630 1DPPE H9Y 99 3.602 2.988 5.111 -0.1478 0.1761 -1.5201 1DPPE C310 100 3.670 3.193 5.073 -0.0419 -0.8261 0.0991 1DPPE H10X 101 3.772 3.149 5.071 0.7686 0.8441 1.6367 1DPPE H10Y 102 3.683 3.293 5.119 1.1115 0.7020 -3.2299 1DPPE C311 103 3.622 3.197 4.928 -0.1328 0.6796 0.1571 1DPPE H11X 104 3.533 3.262 4.926 -0.8473 -0.1257 -3.8657 1DPPE H11Y 105 3.581 3.099 4.897 -0.2692 1.1846 -1.3676 1DPPE C312 106 3.726 3.253 4.830 0.1355 -0.5597 -0.2872 1DPPE H12X 107 3.805 3.178 4.807 1.0995 -0.2108 1.6999 1DPPE H12Y 108 3.756 3.357 4.854 -2.2477 0.4936 -1.4987 1DPPE C313 109 3.660 3.265 4.692 0.0877 0.1589 -0.2027 1DPPE H13X 110 3.572 3.332 4.703 -1.8425 -2.2018 -0.4232 1DPPE H13Y 111 3.617 3.166 4.669 -0.9013 1.3064 -4.0229 1DPPE C314 112 3.758 3.314 4.585 -0.2714 0.7553 -0.2686 1DPPE H14X 113 3.847 3.247 4.576 -0.0557 0.9060 0.6367 1DPPE H14Y 114 3.790 3.419 4.602 -1.0185 1.0503 -0.6689 1DPPE C315 115 3.698 3.299 4.446 0.4222 -0.1866 -0.4794 1DPPE H15X 116 3.592 3.265 4.455 0.6098 -0.5299 0.4796 1DPPE H15Y 117 3.745 3.211 4.397 -0.9980 0.4151 -3.1841 1DPPE C316 118 3.703 3.422 4.355 -0.4560 0.5844 0.4866 1DPPE H16X 119 3.658 3.395 4.257 -0.3754 3.1850 -0.3356 1DPPE H16Y 120 3.809 3.446 4.332 -0.3087 0.3683 0.9147 1DPPE H16Z 121 3.647 3.504 4.404 0.5053 1.9095 -0.5444 2DPPE N 122 5.482 4.741 6.403 -0.0727 -0.6174 0.7343 2DPPE HN1 123 5.558 4.771 6.467 1.0028 -1.6800 -0.0203 2DPPE HN2 124 5.481 4.638 6.391 0.1280 -0.3158 -2.9002 2DPPE HN3 125 5.516 4.780 6.313 0.8722 0.2951 1.4604 2DPPE C12 126 5.340 4.773 6.444 -0.0979 0.0383 0.1584 2DPPE H12A 127 5.333 4.731 6.546 -2.6816 -0.0915 -0.0095 2DPPE H12B 128 5.273 4.708 6.384 0.2405 0.0533 -0.2375 2DPPE C11 129 5.322 4.925 6.451 0.9802 0.2028 -0.3935 2DPPE H11A 130 5.392 4.974 6.522 0.0062 1.5695 -0.3163 2DPPE H11B 131 5.223 4.954 6.492 1.9966 2.6399 0.5221 2DPPE P 132 5.210 5.005 6.235 -0.2439 -0.3220 -0.3528 2DPPE O13 133 5.259 5.072 6.112 -0.1612 -0.1492 -0.2252 2DPPE O14 134 5.104 5.086 6.299 -0.0412 -0.2998 -0.0451 2DPPE O11 135 5.159 4.857 6.199 -0.4985 -0.1927 -0.5274 2DPPE O12 136 5.342 4.985 6.323 -0.0104 0.1034 -0.6024 2DPPE C1 137 5.239 4.790 6.101 0.2935 0.2275 -0.1798 2DPPE HA 138 5.241 4.682 6.129 3.2244 0.0972 -0.6074 2DPPE HB 139 5.339 4.835 6.087 0.3311 0.2173 0.0576 2DPPE C2 140 5.165 4.781 5.967 -0.0382 0.3086 -0.0039 2DPPE HS 141 5.158 4.881 5.919 -2.2185 0.2724 0.1022 2DPPE O21 142 5.036 4.729 6.001 -0.0487 0.1040 -0.3457 2DPPE C21 143 4.943 4.776 5.918 -0.4024 0.2245 0.1124 2DPPE O22 144 4.954 4.882 5.857 1.4195 -0.0497 -0.0883 2DPPE C22 145 4.824 4.682 5.929 -0.0947 -0.1637 0.1521 2DPPE H2R 146 4.730 4.734 5.957 -1.0319 -0.0363 -2.8880 2DPPE H2S 147 4.837 4.610 6.012 -3.2795 -0.6695 0.3554 2DPPE C3 148 5.236 4.675 5.880 0.3291 0.5082 0.0528 2DPPE HX 149 5.185 4.582 5.912 -1.8950 0.7196 -2.4921 2DPPE HY 150 5.346 4.681 5.886 0.5827 1.2237 -3.2731 2DPPE O31 151 5.210 4.693 5.741 -0.1750 0.3439 0.1246 2DPPE C31 152 5.245 4.803 5.676 -0.6697 0.6021 0.2877 2DPPE O32 153 5.307 4.895 5.729 0.4281 -0.0862 0.2321 2DPPE C32 154 5.202 4.784 5.531 -0.0442 -0.0170 0.1790 2DPPE H2X 155 5.092 4.772 5.526 0.0098 -0.4592 0.0375 2DPPE H2Y 156 5.265 4.708 5.480 0.8294 0.0477 1.1151 2DPPE C23 157 4.812 4.606 5.796 -0.3012 -0.4777 0.3479 2DPPE H3R 158 4.905 4.553 5.768 -0.4928 -0.3477 -0.5808 2DPPE H3S 159 4.784 4.685 5.723 -2.8526 -0.9549 0.7330 2DPPE C24 160 4.696 4.509 5.815 -0.5563 -0.3707 -0.6275 2DPPE H4R 161 4.612 4.558 5.868 -1.2546 -2.2909 0.1396 2DPPE H4S 162 4.745 4.438 5.885 -0.0231 -0.2539 -0.8804 2DPPE C25 163 4.638 4.424 5.701 -0.5260 -0.5179 -0.5346 2DPPE H5R 164 4.568 4.349 5.742 -0.1771 0.0818 1.2470 2DPPE H5S 165 4.724 4.372 5.654 1.3647 -0.0655 2.2171 2DPPE C26 166 4.585 4.512 5.588 -0.5015 -0.1026 -0.2262 2DPPE H6R 167 4.652 4.600 5.575 -0.9753 0.3300 0.2404 2DPPE H6S 168 4.485 4.548 5.621 -0.6114 -0.8475 0.2806 2DPPE C27 169 4.572 4.437 5.455 0.5458 -0.6337 -0.0391 2DPPE H7R 170 4.505 4.350 5.470 -0.5209 0.1363 -0.1876 2DPPE H7S 171 4.667 4.392 5.420 0.0612 0.4310 -3.0343 2DPPE C28 172 4.504 4.518 5.344 0.3003 0.0405 0.5893 2DPPE H8R 173 4.560 4.611 5.320 -0.0435 -0.1487 -1.0806 2DPPE H8S 174 4.404 4.563 5.362 -0.7856 -0.6470 -2.8663 2DPPE C29 175 4.494 4.431 5.218 0.9710 0.2268 0.4035 2DPPE H9R 176 4.430 4.345 5.246 0.3528 0.6639 0.3660 2DPPE H9S 177 4.587 4.374 5.199 -0.3639 -3.0028 2.7260 2DPPE C210 178 4.439 4.505 5.095 -0.3685 -0.2187 0.7230 2DPPE H10R 179 4.508 4.588 5.070 0.2518 -0.4489 1.6102 2DPPE H10S 180 4.342 4.547 5.132 -1.2401 -1.0996 -0.4812 2DPPE C211 181 4.419 4.408 4.979 0.2213 -0.3952 0.7663 2DPPE H11R 182 4.364 4.327 5.032 -1.6081 -0.2198 -0.7567 2DPPE H11S 183 4.514 4.357 4.952 0.3791 0.6370 -0.7848 2DPPE C212 184 4.330 4.462 4.867 0.4962 -0.4477 0.5223 2DPPE H12R 185 4.382 4.532 4.799 -5.9954 4.1869 -0.5909 2DPPE H12S 186 4.244 4.507 4.921 0.1527 -2.4601 1.7612 2DPPE C213 187 4.275 4.351 4.776 -0.0523 0.1447 0.1215 2DPPE H13R 188 4.199 4.294 4.833 -2.1101 1.8308 -0.8333 2DPPE H13S 189 4.353 4.278 4.745 -2.2359 -1.5421 -1.8152 2DPPE C214 190 4.211 4.405 4.648 0.1367 -0.7334 -0.3491 2DPPE H14R 191 4.179 4.318 4.586 2.1931 -2.8397 1.3375 2DPPE H14S 192 4.283 4.466 4.589 -1.1301 -0.3115 -1.5168 2DPPE C215 193 4.087 4.487 4.683 0.3636 0.0402 -1.2843 2DPPE H15R 194 4.118 4.576 4.743 0.4229 -0.8124 0.0041 2DPPE H15S 195 4.012 4.432 4.745 1.8067 1.2784 1.7909 2DPPE C216 196 4.008 4.517 4.556 -0.7952 -0.0786 -0.6073 2DPPE H16R 197 4.035 4.620 4.525 1.4861 -0.1279 0.9185 2DPPE H16S 198 3.905 4.536 4.592 0.1272 2.6252 0.9049 2DPPE H16T 199 4.021 4.433 4.485 -0.3191 -0.3277 -0.2360 2DPPE C33 200 5.221 4.914 5.452 -0.4166 0.3079 0.6216 2DPPE H3X 201 5.330 4.926 5.434 -0.8600 2.0919 -1.2039 2DPPE H3Y 202 5.185 5.009 5.498 1.0809 1.3918 -0.3345 2DPPE C34 203 5.149 4.912 5.318 1.3750 0.0368 -0.3705 2DPPE H4X 204 5.039 4.907 5.337 1.0603 -2.6540 -2.3481 2DPPE H4Y 205 5.182 4.822 5.262 0.1393 -0.3262 -0.5561 2DPPE C35 206 5.168 5.041 5.238 0.1249 0.5492 0.1292 2DPPE H5X 207 5.273 5.077 5.245 0.9931 -1.4650 -1.4433 2DPPE H5Y 208 5.100 5.121 5.275 1.4142 1.0757 1.4565 2DPPE C36 209 5.146 5.012 5.089 0.2754 0.1663 0.1822 2DPPE H6X 210 5.226 4.937 5.072 3.0106 2.5841 1.3401 2DPPE H6Y 211 5.180 5.096 5.025 1.9803 -0.3370 0.3594 2DPPE C37 212 5.020 4.945 5.037 0.5376 -0.2800 0.1162 2DPPE H7X 213 4.923 4.999 5.047 -0.0448 -1.2905 0.1065 2DPPE H7Y 214 4.997 4.849 5.087 -1.1179 -0.7685 -1.4384 2DPPE C38 215 5.037 4.897 4.892 0.3564 -0.0086 0.0044 2DPPE H8X 216 4.957 4.823 4.870 -0.5545 0.5783 1.2180 2DPPE H8Y 217 5.140 4.856 4.897 -0.2031 -1.3147 2.2406 2DPPE C39 218 5.044 4.997 4.777 0.4774 0.2446 0.2298 2DPPE H9X 219 5.099 5.089 4.805 1.3522 0.2624 -1.3893 2DPPE H9Y 220 4.940 5.028 4.752 0.2834 -1.8150 -1.9205 2DPPE C310 221 5.088 4.934 4.644 -0.2425 -0.5286 0.3499 2DPPE H10X 222 5.065 5.003 4.559 2.0615 -1.9811 -1.5596 2DPPE H10Y 223 5.037 4.836 4.636 0.7328 -1.0615 0.5533 2DPPE C311 224 5.240 4.921 4.637 -0.1647 0.5111 -0.1764 2DPPE H11X 225 5.269 4.845 4.713 -4.2920 -1.8666 -0.6396 2DPPE H11Y 226 5.294 5.015 4.660 -0.0853 0.5401 -0.4793 2DPPE C312 227 5.274 4.864 4.499 0.4044 -0.3322 0.3034 2DPPE H12X 228 5.262 4.944 4.422 0.7886 -0.7919 -0.2436 2DPPE H12Y 229 5.220 4.768 4.483 1.3308 -1.1573 1.8345 2DPPE C313 230 5.419 4.815 4.495 0.4602 -0.1454 -0.0149 2DPPE H13X 231 5.419 4.720 4.552 -0.7324 -1.2808 -1.8253 2DPPE H13Y 232 5.473 4.892 4.555 -0.1634 -0.3300 0.8092 2DPPE C314 233 5.466 4.798 4.351 -0.4176 -0.9051 -0.2195 2DPPE H14X 234 5.453 4.897 4.303 -1.3071 -1.6179 -1.5173 2DPPE H14Y 235 5.392 4.736 4.295 -0.5180 -0.9136 -0.0784 2DPPE C315 236 5.607 4.741 4.332 -0.2089 -0.3855 -0.2441 2DPPE H15X 237 5.607 4.631 4.350 3.5393 -0.2759 1.2997 2DPPE H15Y 238 5.672 4.783 4.412 -0.2988 -1.7351 0.5612 2DPPE C316 239 5.659 4.779 4.194 -0.3438 0.5318 -0.0486 2DPPE H16X 240 5.761 4.820 4.207 -0.5693 1.0452 0.1476 2DPPE H16Y 241 5.596 4.862 4.153 -0.6330 0.2704 -0.1368 2DPPE H16Z 242 5.666 4.691 4.127 0.9938 0.5396 0.0575 3DPPE N 243 1.967 0.266 6.652 0.0897 -0.3811 -0.3963 3DPPE HN1 244 1.893 0.208 6.698 -1.4052 0.3963 -1.7392 3DPPE HN2 245 1.966 0.359 6.698 2.6038 -0.8729 0.8510 3DPPE HN3 246 1.953 0.289 6.552 -1.8784 0.7158 0.0760 3DPPE C12 247 2.109 0.219 6.670 0.2486 0.3596 0.3720 3DPPE H12A 248 2.137 0.223 6.777 -1.4816 1.5187 0.8147 3DPPE H12B 249 2.188 0.278 6.618 1.1825 -1.6005 -0.5388 3DPPE C11 250 2.115 0.077 6.614 -0.3819 0.2857 0.4840 3DPPE H11A 251 2.052 0.004 6.669 -0.6479 1.6578 2.0785 3DPPE H11B 252 2.224 0.054 6.618 -0.9217 -2.5242 0.9791 3DPPE P 253 2.129 -0.034 6.379 0.5334 0.0107 0.0509 3DPPE O13 254 2.128 -0.163 6.453 0.1983 -0.2493 -0.3984 3DPPE O14 255 2.254 0.004 6.310 0.3786 -0.4553 -0.4983 3DPPE O11 256 2.020 -0.046 6.263 0.1606 -0.3340 0.4313 3DPPE O12 257 2.077 0.082 6.476 0.2670 -0.2906 0.2774 3DPPE C1 258 1.882 -0.032 6.299 0.0903 -0.6563 0.2914 3DPPE HA 259 1.852 0.073 6.282 0.5513 -0.6511 -0.5516 3DPPE HB 260 1.861 -0.054 6.406 -0.8297 -0.9909 0.0502 3DPPE C2 261 1.798 -0.132 6.217 -0.0406 0.0849 -0.4950 3DPPE HS 262 1.847 -0.229 6.243 -2.2615 -0.8296 0.4860 3DPPE O21 263 1.826 -0.108 6.079 0.0568 -0.2457 -0.5348 3DPPE C21 264 1.764 -0.186 5.990 -0.1812 -0.1970 -0.4136 3DPPE O22 265 1.705 -0.289 6.019 0.0672 -0.3705 -0.5201 3DPPE C22 266 1.770 -0.109 5.859 -0.1675 0.8505 0.1857 3DPPE H2R 267 1.870 -0.130 5.815 -0.2780 -0.8508 0.6753 3DPPE H2S 268 1.770 0.000 5.877 -0.6116 0.6982 1.2044 3DPPE C3 269 1.650 -0.134 6.257 -0.0166 -0.0440 -0.4100 3DPPE HX 270 1.634 -0.135 6.367 -1.1924 1.2763 -0.5413 3DPPE HY 271 1.596 -0.226 6.224 0.1846 0.6128 -2.7535 3DPPE O31 272 1.573 -0.022 6.211 0.2893 0.4201 0.2039 3DPPE C31 273 1.553 0.085 6.288 -0.0656 0.1865 0.4453 3DPPE O32 274 1.597 0.104 6.400 0.8847 0.4799 0.0324 3DPPE C32 275 1.455 0.176 6.216 -0.1413 0.0915 0.4278 3DPPE H2X 276 1.385 0.209 6.295 1.8451 1.6962 1.6403 3DPPE H2Y 277 1.411 0.115 6.135 -0.7648 0.4640 0.4792 3DPPE C23 278 1.661 -0.148 5.759 0.3287 0.3663 -0.1757 3DPPE H3R 279 1.559 -0.130 5.801 -0.1707 -0.7514 -0.8434 3DPPE H3S 280 1.666 -0.258 5.743 0.2914 -0.0724 2.3711 3DPPE C24 281 1.664 -0.072 5.626 0.5029 0.2048 -0.2654 3DPPE H4R 282 1.675 0.035 5.654 1.7800 -0.2000 0.8986 3DPPE H4S 283 1.571 -0.094 5.570 0.5372 -2.2436 0.5384 3DPPE C25 284 1.779 -0.099 5.529 0.2910 0.0280 -0.4679 3DPPE H5R 285 1.785 -0.210 5.529 1.5204 0.0631 0.5189 3DPPE H5S 286 1.873 -0.060 5.574 -0.4312 1.6386 -0.2805 3DPPE C26 287 1.753 -0.038 5.392 -0.0568 0.2178 -0.3204 3DPPE H6R 288 1.845 -0.052 5.331 0.2169 -0.8119 0.2967 3DPPE H6S 289 1.732 0.071 5.396 -1.5934 -0.0751 0.1308 3DPPE C27 290 1.638 -0.100 5.312 -0.3812 0.4476 -0.0300 3DPPE H7R 291 1.645 -0.042 5.217 0.0084 -2.2843 -1.7759 3DPPE H7S 292 1.546 -0.075 5.370 0.4413 1.9230 0.6952 3DPPE C28 293 1.653 -0.251 5.294 0.2291 0.4973 0.0602 3DPPE H8R 294 1.561 -0.292 5.249 0.4906 -0.3654 0.3012 3DPPE H8S 295 1.661 -0.309 5.388 -0.2656 -0.8693 -0.7149 3DPPE C29 296 1.765 -0.304 5.203 0.0042 -0.1287 0.1510 3DPPE H9R 297 1.865 -0.272 5.238 -0.7755 0.8775 1.5517 3DPPE H9S 298 1.755 -0.266 5.100 -0.8359 -2.7975 -0.8469 3DPPE C210 299 1.768 -0.457 5.203 -0.2581 -0.1349 0.3026 3DPPE H10R 300 1.677 -0.502 5.157 -0.0995 -1.2873 1.0764 3DPPE H10S 301 1.777 -0.488 5.310 -0.4706 -1.8848 -0.1506 3DPPE C211 302 1.893 -0.507 5.130 -0.3940 -0.3819 0.2381 3DPPE H11R 303 1.990 -0.478 5.175 -2.4737 3.7890 2.5573 3DPPE H11S 304 1.887 -0.466 5.027 -0.2027 0.2629 0.4784 3DPPE C212 305 1.903 -0.660 5.135 0.8260 -0.3017 0.6001 3DPPE H12R 306 1.817 -0.708 5.186 1.4315 0.4518 2.4001 3DPPE H12S 307 1.994 -0.696 5.186 1.7037 -2.1706 -2.0730 3DPPE C213 308 1.912 -0.723 4.996 0.4165 0.2267 0.3300 3DPPE H13R 309 1.918 -0.831 5.022 1.1808 0.6085 1.8780 3DPPE H13S 310 2.007 -0.683 4.955 1.2013 -1.7496 0.1300 3DPPE C214 311 1.792 -0.707 4.902 0.4026 -0.4684 0.2243 3DPPE H14R 312 1.771 -0.598 4.907 2.1108 -0.1086 -0.1162 3DPPE H14S 313 1.700 -0.757 4.941 0.1519 -2.3494 -2.5121 3DPPE C215 314 1.816 -0.758 4.760 -0.3495 -0.3889 0.0624 3DPPE H15R 315 1.722 -0.733 4.706 1.0132 0.8362 -1.8829 3DPPE H15S 316 1.831 -0.868 4.757 3.2181 -0.0122 -0.9360 3DPPE C216 317 1.922 -0.687 4.675 -0.1333 -0.2519 0.4423 3DPPE H16R 318 1.995 -0.758 4.631 -1.9993 -1.6379 -0.5433 3DPPE H16S 319 1.987 -0.618 4.733 0.4388 -1.0750 0.8052 3DPPE H16T 320 1.873 -0.643 4.586 -1.2840 1.0152 1.6456 3DPPE C33 321 1.531 0.303 6.175 -0.1164 -0.1314 -0.2392 3DPPE H3X 322 1.625 0.323 6.230 -1.3101 0.4609 1.7120 3DPPE H3Y 323 1.458 0.383 6.204 0.0371 -0.6777 1.8502 3DPPE C34 324 1.566 0.302 6.027 -0.0108 0.1985 -0.2181 3DPPE H4X 325 1.627 0.212 6.002 -1.3528 -0.8856 0.2822 3DPPE H4Y 326 1.625 0.392 5.999 0.3521 0.2115 0.5838 3DPPE C35 327 1.444 0.299 5.935 -0.3256 0.3411 0.1930 3DPPE H5X 328 1.420 0.404 5.910 0.9753 0.4762 -0.5674 3DPPE H5Y 329 1.355 0.256 5.987 -0.9009 -0.2605 -1.2285 3DPPE C36 330 1.467 0.210 5.812 0.8366 0.5528 0.2495 3DPPE H6X 331 1.478 0.100 5.829 0.3264 0.2721 -1.1593 3DPPE H6Y 332 1.566 0.245 5.775 -0.1159 0.7912 -2.2359 3DPPE C37 333 1.361 0.224 5.703 0.5508 -0.9875 0.2980 3DPPE H7X 334 1.328 0.328 5.679 -1.9920 -2.1503 -1.6210 3DPPE H7Y 335 1.277 0.162 5.740 -1.3892 1.5571 0.4266 3DPPE C38 336 1.398 0.169 5.565 -0.0150 -0.4604 -0.0680 3DPPE H8X 337 1.454 0.074 5.572 0.2330 -0.4289 -1.3618 3DPPE H8Y 338 1.471 0.236 5.515 -1.6822 2.7871 1.5198 3DPPE C39 339 1.281 0.171 5.466 -0.2014 -0.1164 0.1547 3DPPE H9X 340 1.256 0.277 5.445 0.9840 0.0688 -0.4040 3DPPE H9Y 341 1.192 0.122 5.511 0.4332 -0.7021 0.8117 3DPPE C310 342 1.313 0.110 5.329 0.0120 0.2541 0.0386 3DPPE H10X 343 1.219 0.125 5.272 -0.1204 0.5948 0.3410 3DPPE H10Y 344 1.334 0.001 5.335 0.5839 0.3174 -0.6997 3DPPE C311 345 1.431 0.173 5.255 0.5591 -0.7227 0.0628 3DPPE H11X 346 1.525 0.141 5.306 0.0322 -0.0974 1.4909 3DPPE H11Y 347 1.414 0.282 5.265 -0.1248 -0.9009 1.1320 3DPPE C312 348 1.439 0.140 5.106 0.2271 -0.3370 -0.0410 3DPPE H12X 349 1.354 0.181 5.048 0.7488 1.5141 0.4361 3DPPE H12Y 350 1.444 0.029 5.105 0.8651 -0.4483 3.2310 3DPPE C313 351 1.555 0.193 5.022 0.4477 -0.6798 0.0466 3DPPE H13X 352 1.655 0.173 5.067 -0.0092 -1.5524 0.6998 3DPPE H13Y 353 1.549 0.302 5.003 -2.3319 -0.3056 2.4788 3DPPE C314 354 1.560 0.129 4.883 -0.1962 -0.8274 0.0896 3DPPE H14X 355 1.548 0.019 4.893 -3.6178 -0.5850 -0.1807 3DPPE H14Y 356 1.662 0.148 4.843 0.0572 0.4103 1.2460 3DPPE C315 357 1.452 0.184 4.790 0.1476 -0.2649 0.0208 3DPPE H15X 358 1.360 0.175 4.852 2.0967 -0.4947 3.1003 3DPPE H15Y 359 1.459 0.124 4.697 0.2192 -0.7251 0.3229 3DPPE C316 360 1.483 0.330 4.759 0.4057 -0.2669 0.2611 3DPPE H16X 361 1.586 0.345 4.719 0.9179 0.4669 1.7953 3DPPE H16Y 362 1.462 0.395 4.846 0.4594 -2.2024 1.7634 3DPPE H16Z 363 1.418 0.347 4.670 -1.1084 -4.3257 0.4020 4DPPE N 364 4.813 5.666 6.505 0.0724 -0.3857 -0.0715 4DPPE HN1 365 4.904 5.717 6.514 -0.3788 0.0732 2.8415 4DPPE HN2 366 4.746 5.726 6.557 1.4391 2.0727 -0.9638 4DPPE HN3 367 4.817 5.575 6.555 -0.5909 0.8618 2.4319 4DPPE C12 368 4.760 5.670 6.364 -0.2357 -0.4850 0.0414 4DPPE H12A 369 4.843 5.638 6.297 0.6455 -2.7777 2.0499 4DPPE H12B 370 4.726 5.775 6.355 -1.6399 -0.5185 3.4684 4DPPE C11 371 4.645 5.572 6.338 -0.0995 -0.5224 -0.4326 4DPPE H11A 372 4.640 5.553 6.229 0.7400 1.4864 -0.8661 4DPPE H11B 373 4.545 5.612 6.362 -0.2875 -1.9333 1.4087 4DPPE P 374 4.776 5.349 6.355 0.1897 -0.1363 0.0077 4DPPE O13 375 4.745 5.211 6.400 0.1269 -0.1740 -0.1535 4DPPE O14 376 4.913 5.400 6.381 0.2304 -0.3314 0.1806 4DPPE O11 377 4.757 5.352 6.196 0.0333 -0.0097 0.0286 4DPPE O12 378 4.660 5.446 6.405 0.2494 -0.1565 0.1874 4DPPE C1 379 4.851 5.276 6.120 0.4120 0.1202 0.3601 4DPPE HA 380 4.802 5.258 6.022 0.8270 -0.0111 0.1732 4DPPE HB 381 4.881 5.177 6.160 1.0987 0.5863 1.0151 4DPPE C2 382 4.980 5.356 6.095 0.4142 0.0224 0.0507 4DPPE HS 383 5.034 5.335 6.189 0.4135 1.7817 0.4764 4DPPE O21 384 4.944 5.495 6.101 -0.0384 -0.1270 0.9080 4DPPE C21 385 5.045 5.580 6.086 -0.1974 -0.1368 -0.2800 4DPPE O22 386 5.164 5.551 6.083 -0.2620 -0.4757 0.3889 4DPPE C22 387 4.992 5.720 6.057 0.3520 0.1030 -0.1414 4DPPE H2R 388 5.059 5.797 6.101 0.0652 0.1282 0.2642 4DPPE H2S 389 4.887 5.730 6.092 -2.8662 -1.3315 -7.5028 4DPPE C3 390 5.047 5.295 5.971 0.6528 0.6601 -0.1399 4DPPE HX 391 5.020 5.187 5.978 -3.5681 1.5885 0.9690 4DPPE HY 392 5.157 5.306 5.974 0.5378 1.8979 -0.1792 4DPPE O31 393 4.990 5.343 5.849 0.2643 0.4687 -0.0363 4DPPE C31 394 5.051 5.303 5.737 0.1144 1.0138 -0.3201 4DPPE O32 395 5.163 5.254 5.727 -0.2075 0.3484 -0.6818 4DPPE C32 396 4.955 5.322 5.622 0.1340 0.3846 -0.4459 4DPPE H2X 397 4.915 5.424 5.640 2.1663 1.2547 -0.6423 4DPPE H2Y 398 4.871 5.252 5.642 0.0836 0.6379 0.2278 4DPPE C23 399 4.991 5.733 5.905 0.2780 0.0232 -0.1482 4DPPE H3R 400 5.078 5.681 5.859 -2.1725 -3.1601 -1.6191 4DPPE H3S 401 5.017 5.838 5.880 -1.8052 0.5700 -0.1903 4DPPE C24 402 4.858 5.696 5.838 0.0624 0.2802 0.1355 4DPPE H4R 403 4.764 5.725 5.890 -1.6190 -0.7565 -2.1863 4DPPE H4S 404 4.846 5.590 5.810 -0.5068 0.8396 -1.9126 4DPPE C25 405 4.847 5.769 5.704 -0.3160 0.1133 0.0746 4DPPE H5R 406 4.931 5.742 5.637 0.3121 3.3988 -0.6445 4DPPE H5S 407 4.876 5.876 5.716 -1.1093 0.5751 -1.7500 4DPPE C26 408 4.712 5.784 5.634 -0.0235 -0.2624 -0.5841 4DPPE H6R 409 4.646 5.819 5.717 -0.2180 0.6377 -1.1000 4DPPE H6S 410 4.682 5.683 5.601 -0.2689 -0.2036 -0.5416 4DPPE C27 411 4.721 5.885 5.519 0.3163 -0.0188 -0.3450 4DPPE H7R 412 4.819 5.906 5.470 0.7076 0.6022 0.6726 4DPPE H7S 413 4.695 5.984 5.561 5.9804 2.2737 -1.3587 4DPPE C28 414 4.620 5.850 5.410 0.3546 -0.4235 -0.2559 4DPPE H8R 415 4.525 5.813 5.454 0.1648 -0.9331 -1.0657 4DPPE H8S 416 4.666 5.772 5.346 -0.2653 -2.1714 1.3627 4DPPE C29 417 4.591 5.981 5.336 0.5116 -0.3006 -0.1030 4DPPE H9R 418 4.685 6.039 5.327 0.7823 -0.9222 -1.8245 4DPPE H9S 419 4.529 6.030 5.414 1.4303 -1.2757 1.2857 4DPPE C210 420 4.495 5.983 5.217 0.2274 0.1636 0.1311 4DPPE H10R 421 4.463 6.089 5.209 3.4881 1.2917 0.8051 4DPPE H10S 422 4.416 5.905 5.230 1.3135 -0.8609 0.7930 4DPPE C211 423 4.559 5.921 5.092 0.1095 -0.5239 0.4057 4DPPE H11R 424 4.609 5.822 5.096 0.4624 -0.4055 -0.7502 4DPPE H11S 425 4.638 5.998 5.075 1.1509 -1.8421 -0.9673 4DPPE C212 426 4.460 5.916 4.976 0.2767 -0.4612 0.2609 4DPPE H12R 427 4.369 5.977 4.994 -0.7504 -1.8028 -0.2783 4DPPE H12S 428 4.423 5.816 4.947 -2.5888 1.2700 -2.8569 4DPPE C213 429 4.520 5.981 4.850 -0.2048 -0.2283 0.1503 4DPPE H13R 430 4.595 5.901 4.834 -0.8800 -0.4701 -2.1311 4DPPE H13S 431 4.566 6.080 4.866 2.1071 -0.8995 -1.8430 4DPPE C214 432 4.425 5.989 4.730 -0.2731 -0.1314 0.2101 4DPPE H14R 433 4.373 5.892 4.713 -1.5115 0.7565 -1.2842 4DPPE H14S 434 4.490 6.014 4.643 -1.4264 -0.6164 -0.8143 4DPPE C215 435 4.323 6.102 4.745 0.0666 0.2503 -0.3097 4DPPE H15R 436 4.262 6.078 4.835 1.4346 -1.4213 0.2160 4DPPE H15S 437 4.253 6.111 4.659 -0.3057 2.9996 0.1899 4DPPE C216 438 4.375 6.243 4.771 0.4901 0.1919 -0.8139 4DPPE H16R 439 4.453 6.266 4.696 0.7441 -2.8276 -1.6031 4DPPE H16S 440 4.413 6.243 4.875 -1.2623 -0.1028 -0.1260 4DPPE H16T 441 4.304 6.329 4.774 3.2541 2.5703 0.3076 4DPPE C33 442 5.015 5.305 5.482 0.2306 -0.1917 -0.3345 4DPPE H3X 443 4.931 5.301 5.409 0.3001 -2.1400 -0.3718 4DPPE H3Y 444 5.070 5.208 5.484 1.1922 0.3382 -0.4161 4DPPE C34 445 5.109 5.418 5.441 0.0999 0.1355 0.2629 4DPPE H4X 446 5.165 5.383 5.352 1.3271 -1.6120 1.6387 4DPPE H4Y 447 5.189 5.434 5.517 -1.1144 0.1584 1.5869 4DPPE C35 448 5.032 5.549 5.422 0.5079 0.3995 0.3958 4DPPE H5X 449 5.026 5.602 5.519 4.0155 0.4368 0.7007 4DPPE H5Y 450 4.939 5.535 5.362 1.1391 2.0978 -1.0419 4DPPE C36 451 5.128 5.635 5.340 0.4647 -0.0061 -0.0892 4DPPE H6X 452 5.165 5.588 5.247 2.7632 0.9600 0.2548 4DPPE H6Y 453 5.217 5.658 5.403 -0.3936 -1.8675 1.9297 4DPPE C37 454 5.055 5.758 5.287 0.6047 0.0329 -0.1941 4DPPE H7X 455 5.136 5.833 5.303 -0.3387 1.0148 0.1395 4DPPE H7Y 456 4.967 5.791 5.346 1.2027 -0.3609 0.9556 4DPPE C38 457 5.015 5.746 5.140 -0.1356 -0.7055 0.0579 4DPPE H8X 458 4.924 5.683 5.143 -0.0447 -0.8339 0.1585 4DPPE H8Y 459 5.091 5.694 5.078 -1.0638 -1.4404 -0.4905 4DPPE C39 460 4.995 5.883 5.074 0.4977 -0.3558 0.5778 4DPPE H9X 461 5.092 5.937 5.068 0.1322 0.2010 -0.4643 4DPPE H9Y 462 4.930 5.942 5.141 -0.2625 0.7515 -1.0746 4DPPE C310 463 4.933 5.875 4.934 -0.2930 0.3049 0.8849 4DPPE H10X 464 4.840 5.816 4.938 -1.8711 2.6868 1.8158 4DPPE H10Y 465 5.013 5.826 4.875 -1.7067 -0.0872 -0.7514 4DPPE C311 466 4.913 6.016 4.878 -0.3842 -0.2414 -0.4892 4DPPE H11X 467 5.006 6.077 4.881 0.1462 -0.9722 3.4140 4DPPE H11Y 468 4.836 6.060 4.945 0.6004 -1.3663 1.4500 4DPPE C312 469 4.876 6.003 4.730 -0.0428 -0.1659 -0.5803 4DPPE H12X 470 4.791 5.936 4.706 2.7367 -3.6862 -1.5279 4DPPE H12Y 471 4.963 5.947 4.688 -0.7774 1.1020 -4.1652 4DPPE C313 472 4.870 6.137 4.656 -0.2326 -0.1474 -0.5385 4DPPE H13X 473 4.970 6.183 4.667 -0.9480 1.1314 0.8188 4DPPE H13Y 474 4.799 6.196 4.716 -5.2525 -0.6317 -5.2299 4DPPE C314 475 4.829 6.136 4.508 -0.2594 -0.9593 -0.5320 4DPPE H14X 476 4.786 6.232 4.471 -2.0310 -1.5653 -0.1764 4DPPE H14Y 477 4.752 6.056 4.497 -0.7818 -0.3323 -1.6261 4DPPE C315 478 4.937 6.090 4.410 0.4756 -0.6474 0.1241 4DPPE H15X 479 4.895 6.079 4.308 -0.2441 -0.4844 0.3915 4DPPE H15Y 480 4.977 5.994 4.448 -1.3765 -1.8454 -0.8175 4DPPE C316 481 5.044 6.198 4.392 0.4187 -0.4704 0.7873 4DPPE H16X 482 5.123 6.185 4.468 0.5973 -0.4969 0.5969 4DPPE H16Y 483 5.005 6.301 4.376 2.0260 -0.2897 -2.8651 4DPPE H16Z 484 5.087 6.167 4.294 0.8114 -2.4137 1.5281 5DPPE N 485 3.987 1.369 5.628 0.0619 0.3803 -0.3407 5DPPE HN1 486 3.993 1.444 5.555 1.4883 0.4336 -0.1878 5DPPE HN2 487 3.890 1.369 5.666 0.6650 -1.5454 1.3487 5DPPE HN3 488 4.048 1.397 5.707 -0.0498 1.0041 -0.4714 5DPPE C12 489 4.026 1.233 5.576 0.6651 0.4684 -0.1210 5DPPE H12A 490 3.931 1.193 5.534 1.7471 -2.1630 -0.2852 5DPPE H12B 491 4.099 1.251 5.495 -0.6526 1.0872 -1.2047 5DPPE C11 492 4.089 1.139 5.680 -0.2791 0.1053 0.1345 5DPPE H11A 493 4.140 1.058 5.624 -0.2111 0.5259 -0.4248 5DPPE H11B 494 4.001 1.093 5.729 -1.8314 2.1423 -0.5852 5DPPE P 495 4.255 1.133 5.868 0.0470 0.1614 0.1767 5DPPE O13 496 4.170 1.052 5.958 0.4677 0.0176 0.4503 5DPPE O14 497 4.349 1.224 5.938 0.2855 0.0208 0.0413 5DPPE O11 498 4.341 1.035 5.776 -0.5257 -0.1738 -0.0018 5DPPE O12 499 4.157 1.220 5.776 0.7161 0.1346 -0.5745 5DPPE C1 500 4.406 0.932 5.850 0.8142 0.3763 -0.3868 5DPPE HA 501 4.353 0.903 5.943 1.6330 -0.6182 -0.2120 5DPPE HB 502 4.505 0.968 5.884 0.6477 -0.8695 1.5739 5DPPE C2 503 4.434 0.810 5.759 0.2309 -0.2219 0.2293 5DPPE HS 504 4.504 0.752 5.822 -0.8599 -0.7816 0.9706 5DPPE O21 505 4.471 0.864 5.632 -0.4943 -0.2379 0.0054 5DPPE C21 506 4.558 0.789 5.565 0.0135 0.0428 0.3371 5DPPE O22 507 4.628 0.700 5.611 0.3885 0.0015 -0.2964 5DPPE C22 508 4.584 0.849 5.428 0.7200 -0.8386 0.0741 5DPPE H2R 509 4.689 0.828 5.399 0.1990 -1.7301 -1.2695 5DPPE H2S 510 4.573 0.960 5.427 3.3165 -0.5299 -0.6439 5DPPE C3 511 4.305 0.728 5.743 0.3176 -0.3731 0.3138 5DPPE HX 512 4.239 0.777 5.669 0.0814 0.7674 1.2530 5DPPE HY 513 4.251 0.742 5.839 -0.1231 -0.5660 0.0950 5DPPE O31 514 4.320 0.587 5.724 -0.1742 -0.3304 -0.4364 5DPPE C31 515 4.313 0.536 5.601 -0.4887 -0.4844 -0.3541 5DPPE O32 516 4.312 0.601 5.498 0.1135 0.0874 0.0015 5DPPE C32 517 4.314 0.384 5.606 -0.4430 -0.4748 -0.0838 5DPPE H2X 518 4.253 0.328 5.680 0.6150 -3.6994 -1.4505 5DPPE H2Y 519 4.419 0.352 5.622 -1.1139 -1.7788 2.2675 5DPPE C23 520 4.485 0.786 5.330 0.2016 0.1807 -0.0791 5DPPE H3R 521 4.381 0.807 5.362 0.5089 -0.0503 1.1227 5DPPE H3S 522 4.493 0.675 5.321 -0.1450 -0.0624 1.9783 5DPPE C24 523 4.503 0.841 5.189 -0.0818 0.4639 -0.0056 5DPPE H4R 524 4.592 0.796 5.140 0.2103 0.5562 0.4449 5DPPE H4S 525 4.506 0.952 5.188 2.2137 0.4504 -0.8734 5DPPE C25 526 4.390 0.786 5.100 -0.0578 0.2575 0.0906 5DPPE H5R 527 4.294 0.792 5.155 -0.6416 0.0636 -0.8879 5DPPE H5S 528 4.419 0.683 5.069 1.3471 1.0380 -1.3515 5DPPE C26 529 4.369 0.873 4.976 -0.2137 0.6867 0.4140 5DPPE H6R 530 4.433 0.834 4.893 0.8861 -3.2990 2.8705 5DPPE H6S 531 4.405 0.977 4.991 -0.1679 1.5097 -3.9596 5DPPE C27 532 4.224 0.860 4.929 0.0863 -0.0941 -0.3511 5DPPE H7R 533 4.170 0.944 4.978 -1.3410 -0.9614 -0.3666 5DPPE H7S 534 4.196 0.768 4.985 -1.1871 1.8307 2.4258 5DPPE C28 535 4.192 0.847 4.780 -0.0639 -0.4927 -0.2859 5DPPE H8R 536 4.081 0.839 4.778 -0.2812 1.4394 0.8037 5DPPE H8S 537 4.246 0.764 4.730 2.7585 1.4796 -0.7411 5DPPE C29 538 4.224 0.973 4.700 -0.6283 -0.3114 -0.2324 5DPPE H9R 539 4.334 0.983 4.687 -0.9658 1.6996 -2.4136 5DPPE H9S 540 4.202 1.065 4.759 -2.0647 -0.5128 -0.4256 5DPPE C210 541 4.182 0.975 4.552 0.4259 0.4167 -0.5349 5DPPE H10R 542 4.255 0.908 4.502 1.4088 2.3712 -1.8507 5DPPE H10S 543 4.215 1.068 4.502 -1.7411 0.3435 -2.2238 5DPPE C211 544 4.033 0.962 4.520 0.2567 0.4791 0.2049 5DPPE H11R 545 3.971 1.048 4.554 -2.6662 0.4393 -4.1778 5DPPE H11S 546 4.001 0.866 4.565 0.1135 -0.0950 -1.0849 5DPPE C212 547 4.010 0.938 4.371 -0.2230 0.0336 0.3478 5DPPE H12R 548 4.084 0.863 4.333 0.8806 1.6383 -0.7868 5DPPE H12S 549 4.040 1.035 4.325 -3.1997 1.7183 1.7128 5DPPE C213 550 3.870 0.887 4.339 -0.2128 0.1564 0.1065 5DPPE H13R 551 3.793 0.956 4.381 0.1071 -0.1011 1.1434 5DPPE H13S 552 3.864 0.783 4.376 0.7449 0.4404 1.0941 5DPPE C214 553 3.842 0.873 4.189 -0.5492 -0.1004 0.1908 5DPPE H14R 554 3.927 0.826 4.135 -0.1467 -1.9836 2.3387 5DPPE H14S 555 3.847 0.975 4.145 2.5782 0.0459 0.6268 5DPPE C215 556 3.713 0.805 4.142 -0.1697 -0.3583 -0.4901 5DPPE H15R 557 3.727 0.696 4.132 -1.4613 -0.4533 -1.5193 5DPPE H15S 558 3.688 0.847 4.042 1.9193 -3.7047 -2.6135 5DPPE C216 559 3.598 0.838 4.236 0.5056 0.4687 0.0678 5DPPE H16R 560 3.499 0.806 4.196 0.9039 -0.8575 0.0960 5DPPE H16S 561 3.588 0.948 4.244 -0.7778 0.6219 -2.5600 5DPPE H16T 562 3.614 0.787 4.334 -2.1734 -1.2156 -0.2503 5DPPE C33 563 4.255 0.349 5.470 -0.4767 0.4188 -0.2997 5DPPE H3X 564 4.297 0.406 5.383 -1.0849 2.1310 0.4753 5DPPE H3Y 565 4.146 0.369 5.473 -0.3076 1.2973 2.2344 5DPPE C34 566 4.257 0.203 5.425 -0.6996 0.0913 0.7482 5DPPE H4X 567 4.208 0.134 5.497 -1.7097 -1.9741 -1.7770 5DPPE H4Y 568 4.362 0.167 5.420 -1.0430 -0.9493 0.7227 5DPPE C35 569 4.188 0.158 5.297 -0.1463 0.4745 0.3104 5DPPE H5X 570 4.204 0.053 5.264 1.1894 1.0138 -0.8288 5DPPE H5Y 571 4.249 0.215 5.223 0.6740 -1.7816 -0.8665 5DPPE C36 572 4.046 0.209 5.271 -0.1163 0.2791 -0.2570 5DPPE H6X 573 4.030 0.306 5.321 -1.1273 -0.6040 1.2159 5DPPE H6Y 574 3.967 0.143 5.313 0.4114 -0.2958 -0.1460 5DPPE C37 575 4.026 0.241 5.123 -0.8416 -0.1213 -0.2535 5DPPE H7X 576 4.084 0.330 5.088 -1.4361 0.2159 -0.3949 5DPPE H7Y 577 3.927 0.286 5.102 -0.4339 1.4387 1.0009 5DPPE C38 578 4.057 0.134 5.017 0.1517 -0.3940 0.2963 5DPPE H8X 579 4.159 0.095 5.035 0.4541 0.9684 1.7305 5DPPE H8Y 580 4.057 0.190 4.921 -0.0977 -2.8166 -1.1818 5DPPE C39 581 3.954 0.021 5.024 -0.2919 -0.0194 -0.1271 5DPPE H9X 582 3.848 0.053 5.012 -0.6796 -1.1088 0.3364 5DPPE H9Y 583 3.946 -0.029 5.123 -2.0727 2.8515 1.3211 5DPPE C310 584 3.988 -0.084 4.918 0.0669 -0.3296 0.2927 5DPPE H10X 585 4.091 -0.116 4.944 0.2582 0.0067 -0.0479 5DPPE H10Y 586 4.000 -0.008 4.838 -0.2450 1.1906 1.6321 5DPPE C311 587 3.882 -0.190 4.888 -0.3460 0.2150 -0.1891 5DPPE H11X 588 3.782 -0.146 4.866 0.0267 0.7798 -0.7748 5DPPE H11Y 589 3.865 -0.249 4.981 0.2557 0.7528 0.2714 5DPPE C312 590 3.907 -0.272 4.761 -0.6030 0.3800 -0.3471 5DPPE H12X 591 4.013 -0.304 4.755 0.0222 1.8339 1.8352 5DPPE H12Y 592 3.885 -0.203 4.677 -0.0844 -0.7627 -1.4618 5DPPE C313 593 3.804 -0.386 4.763 0.1595 -0.3095 0.1655 5DPPE H13X 594 3.706 -0.340 4.785 -1.0472 -2.5680 -0.2151 5DPPE H13Y 595 3.821 -0.459 4.845 -0.9500 0.9713 1.5879 5DPPE C314 596 3.793 -0.462 4.630 -0.6273 -0.2322 0.1868 5DPPE H14X 597 3.689 -0.501 4.618 0.0758 -2.5813 1.1587 5DPPE H14Y 598 3.804 -0.388 4.549 -3.0532 1.1283 0.9692 5DPPE C315 599 3.890 -0.580 4.628 0.0987 0.3526 0.3469 5DPPE H15X 600 3.877 -0.632 4.725 -3.5163 2.3579 1.1327 5DPPE H15Y 601 3.995 -0.545 4.624 0.1042 0.4695 1.3154 5DPPE C316 602 3.871 -0.674 4.508 -0.3880 0.5492 0.2669 5DPPE H16X 603 3.939 -0.762 4.509 -1.9052 -0.6603 1.4638 5DPPE H16Y 604 3.876 -0.616 4.414 -0.0035 -0.5685 -0.4138 5DPPE H16Z 605 3.768 -0.714 4.513 1.0174 -4.0392 -2.0408 6DPPE N 606 4.090 2.417 6.282 0.1633 0.3833 -0.9848 6DPPE HN1 607 4.055 2.503 6.328 -0.8168 -0.8680 0.7681 6DPPE HN2 608 4.037 2.401 6.195 0.7234 -0.1728 -1.2315 6DPPE HN3 609 4.073 2.337 6.347 -0.8311 0.7620 -0.7723 6DPPE C12 610 4.240 2.429 6.264 0.3802 0.1990 0.5108 6DPPE H12A 611 4.281 2.443 6.366 -1.0633 2.6841 0.8256 6DPPE H12B 612 4.256 2.521 6.204 -1.3706 -0.7435 -1.5758 6DPPE C11 613 4.297 2.311 6.185 -0.1995 0.1923 0.0948 6DPPE H11A 614 4.386 2.273 6.239 0.3127 1.2118 -0.0081 6DPPE H11B 615 4.313 2.350 6.083 -1.1843 0.2362 -0.0523 6DPPE P 616 4.230 2.096 6.066 0.1203 0.5576 -0.0349 6DPPE O13 617 4.104 2.047 6.006 -0.0099 0.2251 0.5119 6DPPE O14 618 4.313 1.989 6.124 0.0460 0.3969 -0.2234 6DPPE O11 619 4.306 2.172 5.947 0.4411 0.1439 -0.0945 6DPPE O12 620 4.202 2.203 6.181 0.4525 -0.4277 0.9764 6DPPE C1 621 4.398 2.100 5.865 0.1139 0.6589 -0.9328 6DPPE HA 622 4.396 2.142 5.762 0.4882 0.6473 -0.9488 6DPPE HB 623 4.376 1.991 5.856 1.7790 0.4308 -3.4646 6DPPE C2 624 4.542 2.122 5.916 -0.2473 0.5966 0.1375 6DPPE HS 625 4.555 2.065 6.010 0.4514 0.2255 -0.1733 6DPPE O21 626 4.543 2.259 5.957 -0.1897 0.6687 -0.1013 6DPPE C21 627 4.656 2.301 6.014 0.5256 0.0987 -1.0752 6DPPE O22 628 4.753 2.236 6.050 -0.1341 -0.3838 -0.1213 6DPPE C22 629 4.639 2.451 6.030 -0.2987 -0.0695 -0.3365 6DPPE H2R 630 4.719 2.495 6.093 -2.1831 -0.1012 2.2585 6DPPE H2S 631 4.545 2.472 6.087 -0.0898 1.5735 -0.5491 6DPPE C3 632 4.645 2.080 5.809 -0.3910 0.0144 0.2237 6DPPE HX 633 4.610 1.978 5.782 -0.4778 -0.4565 1.9726 6DPPE HY 634 4.745 2.079 5.856 -0.9683 1.6301 1.5903 6DPPE O31 635 4.644 2.168 5.697 0.0680 -0.1896 0.0585 6DPPE C31 636 4.704 2.104 5.597 0.4903 0.1252 0.1085 6DPPE O32 637 4.777 2.007 5.610 0.2069 -0.1202 -0.1221 6DPPE C32 638 4.671 2.173 5.466 -0.5345 -0.3686 0.0993 6DPPE H2X 639 4.762 2.232 5.439 -1.0393 -0.1443 -1.2501 6DPPE H2Y 640 4.576 2.230 5.479 -0.0527 0.9875 -1.7617 6DPPE C23 641 4.628 2.515 5.892 -0.5811 0.1631 -0.2081 6DPPE H3R 642 4.601 2.622 5.900 -0.2864 0.2965 -0.8955 6DPPE H3S 643 4.552 2.453 5.838 -0.2169 -1.8721 1.5015 6DPPE C24 644 4.763 2.517 5.820 -0.5460 -0.1378 -0.1515 6DPPE H4R 645 4.810 2.417 5.833 -0.9356 -0.1274 1.5951 6DPPE H4S 646 4.822 2.598 5.869 -0.3618 -0.0319 -0.5472 6DPPE C25 647 4.755 2.551 5.672 -0.1273 -1.2297 -0.4374 6DPPE H5R 648 4.716 2.655 5.667 -3.3962 -2.3948 -2.2332 6DPPE H5S 649 4.686 2.476 5.629 -1.4242 -1.6479 2.1958 6DPPE C26 650 4.890 2.555 5.600 -0.0810 -0.7351 -0.3250 6DPPE H6R 651 4.954 2.469 5.628 0.1941 -0.2515 0.5884 6DPPE H6S 652 4.942 2.638 5.653 0.6929 -1.9072 0.8141 6DPPE C27 653 4.882 2.577 5.448 -0.1225 0.1480 -0.1999 6DPPE H7R 654 4.984 2.598 5.409 -0.1917 1.1966 0.1496 6DPPE H7S 655 4.823 2.670 5.431 0.9088 0.8979 0.2212 6DPPE C28 656 4.836 2.455 5.369 0.0403 0.0927 -0.2093 6DPPE H8R 657 4.734 2.425 5.402 -0.6099 1.7455 -0.6143 6DPPE H8S 658 4.904 2.371 5.393 -2.3669 -2.1504 -0.7455 6DPPE C29 659 4.834 2.483 5.219 1.0228 0.5260 -0.1485 6DPPE H9R 660 4.799 2.384 5.183 -2.6401 0.1933 3.5660 6DPPE H9S 661 4.930 2.506 5.168 0.7737 2.7360 0.2806 6DPPE C210 662 4.731 2.579 5.159 0.6847 -0.0156 -0.4467 6DPPE H10R 663 4.782 2.678 5.164 0.0294 0.2854 0.5712 6DPPE H10S 664 4.646 2.592 5.229 0.4322 1.0497 -0.9351 6DPPE C211 665 4.695 2.571 5.011 -0.5944 -0.4601 -0.1272 6DPPE H11R 666 4.646 2.665 4.977 -1.2483 -0.7873 -0.1005 6DPPE H11S 667 4.622 2.490 4.989 -0.6852 -0.3327 -0.2890 6DPPE C212 668 4.818 2.566 4.920 0.0934 0.3211 0.7389 6DPPE H12R 669 4.788 2.563 4.813 -0.2285 3.5654 0.6597 6DPPE H12S 670 4.881 2.477 4.941 1.4185 1.7451 3.2434 6DPPE C213 671 4.915 2.684 4.930 0.1113 0.4524 -0.7252 6DPPE H13R 672 4.971 2.692 5.025 -0.5820 1.6374 -0.3873 6DPPE H13S 673 4.851 2.775 4.933 -1.9097 -0.8961 2.7770 6DPPE C214 674 5.021 2.682 4.820 0.8610 0.9948 -0.0256 6DPPE H14R 675 5.073 2.584 4.813 -1.5455 -0.3282 -0.8374 6DPPE H14S 676 5.086 2.767 4.849 2.1667 0.6519 -1.7883 6DPPE C215 677 4.954 2.713 4.686 -0.2484 0.0647 0.2915 6DPPE H15R 678 4.882 2.635 4.654 -0.0244 0.7160 -1.9868 6DPPE H15S 679 5.030 2.711 4.605 -2.0594 0.3962 -1.4922 6DPPE C216 680 4.886 2.850 4.681 0.2984 0.3351 0.1406 6DPPE H16R 681 4.796 2.858 4.745 -1.1039 -0.1170 -1.6987 6DPPE H16S 682 4.861 2.859 4.573 -1.8002 -1.3370 0.4201 6DPPE H16T 683 4.947 2.938 4.711 0.7774 1.2248 -3.0780 6DPPE C33 684 4.644 2.075 5.351 0.5310 -0.0380 -0.4437 6DPPE H3X 685 4.568 2.004 5.389 -0.6082 -0.1846 -2.8138 6DPPE H3Y 686 4.738 2.026 5.316 -0.1636 -1.0441 -0.9406 6DPPE C34 687 4.577 2.143 5.232 -0.3828 0.2991 0.2522 6DPPE H4X 688 4.646 2.228 5.210 0.1165 -0.3791 -0.8921 6DPPE H4Y 689 4.482 2.185 5.270 -1.5583 -1.5408 -0.5126 6DPPE C35 690 4.550 2.059 5.107 -0.0524 0.0967 0.3150 6DPPE H5X 691 4.473 1.983 5.133 -0.6607 1.2860 2.1903 6DPPE H5Y 692 4.644 2.009 5.075 -0.2323 0.2535 -0.4806 6DPPE C36 693 4.511 2.147 4.988 -0.4467 0.1799 0.5042 6DPPE H6X 694 4.570 2.240 4.977 -1.4269 0.6380 -1.4065 6DPPE H6Y 695 4.404 2.172 5.002 -0.1892 1.0622 0.9379 6DPPE C37 696 4.539 2.075 4.856 -0.2607 0.2681 0.4953 6DPPE H7X 697 4.526 1.965 4.868 -0.2475 0.2924 0.7320 6DPPE H7Y 698 4.645 2.078 4.824 -0.8405 0.6427 -1.5893 6DPPE C38 699 4.456 2.118 4.735 0.2889 0.1913 0.0882 6DPPE H8X 700 4.350 2.139 4.762 0.2334 0.5080 -0.3609 6DPPE H8Y 701 4.442 2.036 4.661 -1.7049 1.8817 -1.5520 6DPPE C39 702 4.500 2.253 4.678 -0.7655 0.4455 -0.1601 6DPPE H9X 703 4.597 2.239 4.624 -1.2047 0.9032 -1.0892 6DPPE H9Y 704 4.540 2.309 4.765 0.3897 -1.0066 0.2961 6DPPE C310 705 4.395 2.318 4.587 -0.5253 0.2595 -0.5757 6DPPE H10X 706 4.434 2.421 4.576 -1.2398 0.5089 -0.7963 6DPPE H10Y 707 4.292 2.335 4.626 -0.7960 -1.5808 -0.4070 6DPPE C311 708 4.370 2.233 4.462 0.5377 -0.0570 -0.5842 6DPPE H11X 709 4.327 2.137 4.497 -1.0697 1.3209 1.4752 6DPPE H11Y 710 4.471 2.213 4.419 1.8488 0.9773 1.7767 6DPPE C312 711 4.277 2.310 4.368 0.5676 0.2599 -0.3556 6DPPE H12X 712 4.186 2.340 4.425 1.1162 0.6269 0.3656 6DPPE H12Y 713 4.241 2.239 4.292 2.2840 -2.5650 1.2982 6DPPE C313 714 4.340 2.434 4.303 0.4641 0.2197 -0.5292 6DPPE H13X 715 4.441 2.421 4.258 1.1138 1.9539 0.3788 6DPPE H13Y 716 4.338 2.512 4.381 -1.0363 0.6851 -0.9906 6DPPE C314 717 4.250 2.483 4.189 -0.6670 -0.4929 0.0323 6DPPE H14X 718 4.266 2.592 4.171 1.2412 -0.5023 1.3685 6DPPE H14Y 719 4.141 2.472 4.209 -0.8319 0.3898 -0.3457 6DPPE C315 720 4.276 2.401 4.062 -0.2769 -0.5715 0.1593 6DPPE H15X 721 4.192 2.435 3.998 -1.0312 1.0831 1.9127 6DPPE H15Y 722 4.274 2.294 4.089 1.6871 -0.3881 1.1793 6DPPE C316 723 4.412 2.421 3.996 -0.3629 0.2508 0.2171 6DPPE H16X 724 4.436 2.528 3.980 4.1723 -0.7927 -1.3524 6DPPE H16Y 725 4.407 2.379 3.894 -0.6087 1.8682 -0.4709 6DPPE H16Z 726 4.492 2.368 4.053 -2.5427 -1.6097 1.7396 7DPPE N 727 2.480 2.756 6.463 0.4936 -0.0873 0.3389 7DPPE HN1 728 2.404 2.811 6.419 -1.3567 -2.9886 -0.4142 7DPPE HN2 729 2.450 2.735 6.561 -1.0599 0.3717 -0.0154 7DPPE HN3 730 2.563 2.816 6.449 1.2653 -1.5141 -1.5189 7DPPE C12 731 2.478 2.622 6.392 0.1683 0.1276 -0.0588 7DPPE H12A 732 2.380 2.576 6.415 -0.1334 0.4491 -0.6730 7DPPE H12B 733 2.481 2.647 6.284 2.1221 2.8730 0.5220 7DPPE C11 734 2.604 2.545 6.430 -0.0902 -0.2821 -0.0264 7DPPE H11A 735 2.575 2.447 6.388 -0.4117 0.0902 -0.6887 7DPPE H11B 736 2.618 2.520 6.537 -1.8830 -0.5426 0.1666 7DPPE P 737 2.830 2.489 6.350 -0.1340 0.0846 0.2926 7DPPE O13 738 2.844 2.408 6.473 0.1565 0.1810 0.3235 7DPPE O14 739 2.952 2.552 6.293 -0.1614 0.6449 0.8420 7DPPE O11 740 2.766 2.398 6.235 0.4257 0.1068 -0.0412 7DPPE O12 741 2.723 2.605 6.377 -0.1977 0.0648 0.1237 7DPPE C1 742 2.845 2.291 6.185 -0.0582 -0.2263 -0.0937 7DPPE HA 743 2.854 2.210 6.261 0.6465 -0.1958 -0.1384 7DPPE HB 744 2.949 2.330 6.176 -0.7384 1.4609 -0.8551 7DPPE C2 745 2.789 2.231 6.054 0.2598 -0.4912 -0.1110 7DPPE HS 746 2.853 2.142 6.033 1.5092 0.4327 -0.3705 7DPPE O21 747 2.802 2.327 5.949 -0.1300 -0.0520 0.2355 7DPPE C21 748 2.913 2.321 5.876 -0.2408 0.0335 0.0592 7DPPE O22 749 2.997 2.233 5.889 -0.5977 -0.1218 1.4691 7DPPE C22 750 2.920 2.427 5.766 -0.1025 0.6387 0.6462 7DPPE H2R 751 2.970 2.519 5.803 0.8064 -0.2254 1.6605 7DPPE H2S 752 2.815 2.451 5.738 -0.0261 1.6721 1.1977 7DPPE C3 753 2.644 2.187 6.080 0.0364 0.3508 0.1146 7DPPE HX 754 2.594 2.284 6.099 1.6411 1.3551 -0.5420 7DPPE HY 755 2.644 2.114 6.164 4.0379 -1.5556 -1.2653 7DPPE O31 756 2.596 2.116 5.966 -0.3505 0.0830 0.4429 7DPPE C31 757 2.516 2.180 5.881 -0.3382 -0.1400 0.2610 7DPPE O32 758 2.484 2.298 5.886 -0.9130 -0.3119 0.6340 7DPPE C32 759 2.463 2.081 5.778 -0.1860 -0.0133 0.0593 7DPPE H2X 760 2.354 2.089 5.762 -0.6378 -2.6995 1.1297 7DPPE H2Y 761 2.459 1.984 5.832 -1.3144 0.2935 0.5399 7DPPE C23 762 3.006 2.386 5.647 -0.7164 0.3259 0.3045 7DPPE H3R 763 3.110 2.366 5.681 -0.8567 1.6725 1.6147 7DPPE H3S 764 3.016 2.462 5.566 1.1588 0.1632 0.3362 7DPPE C24 765 2.957 2.267 5.564 -0.2548 0.2892 0.0807 7DPPE H4R 766 2.849 2.279 5.540 -0.1078 1.1258 -0.2241 7DPPE H4S 767 2.977 2.178 5.626 1.8647 0.5650 -0.1343 7DPPE C25 768 3.019 2.256 5.425 0.2740 -0.3366 0.3653 7DPPE H5R 769 3.010 2.353 5.373 2.3513 0.4982 1.4164 7DPPE H5S 770 2.965 2.179 5.366 -0.6083 0.7929 -0.3148 7DPPE C26 771 3.166 2.212 5.431 0.2231 -0.5507 0.0734 7DPPE H6R 772 3.179 2.106 5.460 -0.7375 -0.4872 0.7838 7DPPE H6S 773 3.210 2.283 5.504 -2.9842 1.7012 0.0204 7DPPE C27 774 3.246 2.221 5.301 0.0799 0.4396 0.0499 7DPPE H7R 775 3.183 2.176 5.221 -1.2370 1.5061 0.4460 7DPPE H7S 776 3.332 2.155 5.322 -2.2732 -1.8233 3.5412 7DPPE C28 777 3.271 2.368 5.265 -0.2971 0.5518 0.2415 7DPPE H8R 778 3.360 2.409 5.318 0.1709 3.2146 -2.3273 7DPPE H8S 779 3.182 2.428 5.293 -0.0614 0.8230 0.4260 7DPPE C29 780 3.289 2.388 5.115 0.2533 0.0170 0.2345 7DPPE H9R 781 3.211 2.461 5.085 -1.0832 -1.0812 0.9591 7DPPE H9S 782 3.288 2.286 5.071 2.3839 -1.0475 2.3950 7DPPE C210 783 3.431 2.440 5.092 0.3863 -0.4589 -0.0461 7DPPE H10R 784 3.496 2.367 5.145 -0.0906 -1.6874 -1.1115 7DPPE H10S 785 3.429 2.542 5.137 -0.2812 1.1400 -3.3892 7DPPE C211 786 3.475 2.442 4.945 0.2922 0.1016 -0.0697 7DPPE H11R 787 3.579 2.477 4.929 0.3410 1.2735 2.3188 7DPPE H11S 788 3.402 2.503 4.887 -1.3650 -0.2665 1.5123 7DPPE C212 789 3.481 2.306 4.876 -0.5861 0.1587 -0.2712 7DPPE H12R 790 3.375 2.277 4.858 -0.5026 -0.3460 0.0300 7DPPE H12S 791 3.518 2.225 4.942 -1.2968 0.5530 0.6282 7DPPE C213 792 3.552 2.307 4.741 0.0054 -0.5800 0.0254 7DPPE H13R 793 3.586 2.204 4.716 1.0887 -0.9877 2.8854 7DPPE H13S 794 3.647 2.363 4.749 0.2197 -0.7364 -1.1344 7DPPE C214 795 3.472 2.374 4.628 0.4738 0.2383 0.1730 7DPPE H14R 796 3.439 2.467 4.678 0.3745 -0.8272 2.2233 7DPPE H14S 797 3.387 2.305 4.612 0.6795 0.3527 -1.6382 7DPPE C215 798 3.547 2.397 4.497 -0.3338 0.2534 -0.2899 7DPPE H15R 799 3.651 2.436 4.508 -1.1923 2.2743 1.5153 7DPPE H15S 800 3.488 2.477 4.447 -0.8479 0.2027 0.2278 7DPPE C216 801 3.563 2.274 4.408 0.4689 0.1258 0.0194 7DPPE H16R 802 3.464 2.224 4.401 0.2566 0.5342 0.0689 7DPPE H16S 803 3.637 2.210 4.460 2.7924 0.5833 -2.5029 7DPPE H16T 804 3.609 2.305 4.311 0.4053 2.0643 0.5675 7DPPE C33 805 2.544 2.088 5.649 -0.1688 -0.1904 0.0594 7DPPE H3X 806 2.534 1.991 5.596 -0.4870 0.5376 -1.2529 7DPPE H3Y 807 2.654 2.097 5.666 -0.3166 -1.7151 2.1907 7DPPE C34 808 2.485 2.196 5.557 0.3755 0.2698 0.2395 7DPPE H4X 809 2.552 2.280 5.584 0.9410 1.1612 -3.4367 7DPPE H4Y 810 2.375 2.205 5.573 0.3285 0.2055 -0.0388 7DPPE C35 811 2.512 2.168 5.409 -0.2294 0.3081 0.1202 7DPPE H5X 812 2.510 2.058 5.392 0.1253 0.4223 -0.6974 7DPPE H5Y 813 2.617 2.201 5.395 -1.6189 4.0004 -3.8261 7DPPE C36 814 2.433 2.251 5.308 0.1365 -0.3151 -0.6884 7DPPE H6X 815 2.435 2.360 5.327 -1.2160 -0.1416 -1.3704 7DPPE H6Y 816 2.325 2.225 5.314 0.7797 -2.8782 1.2481 7DPPE C37 817 2.482 2.213 5.168 0.0668 -0.5260 -0.6551 7DPPE H7X 818 2.484 2.103 5.153 0.5681 -0.3445 -2.0732 7DPPE H7Y 819 2.590 2.238 5.159 -0.1475 0.9454 0.4740 7DPPE C38 820 2.397 2.272 5.055 -0.3047 -0.3907 -0.3072 7DPPE H8X 821 2.408 2.382 5.058 2.9133 -0.5595 3.5032 7DPPE H8Y 822 2.289 2.255 5.075 -0.4582 2.1514 1.5015 7DPPE C39 823 2.451 2.223 4.921 -0.2740 -0.1246 -0.3922 7DPPE H9X 824 2.445 2.113 4.936 0.7559 -0.4052 -1.7591 7DPPE H9Y 825 2.559 2.250 4.916 -0.2687 -0.2651 -1.1860 7DPPE C310 826 2.360 2.271 4.807 0.0985 -0.2911 -0.7654 7DPPE H10X 827 2.352 2.382 4.811 0.9898 -0.1886 3.8822 7DPPE H10Y 828 2.258 2.232 4.823 -0.0947 0.5366 0.1227 7DPPE C311 829 2.399 2.233 4.665 -0.3458 -0.2221 -0.9065 7DPPE H11X 830 2.411 2.122 4.663 -0.8774 -0.2950 -0.0301 7DPPE H11Y 831 2.504 2.269 4.657 -0.9217 1.2485 -2.2751 7DPPE C312 832 2.311 2.294 4.556 -0.2047 0.9138 -0.3926 7DPPE H12X 833 2.297 2.403 4.571 -2.8867 0.8664 -1.8242 7DPPE H12Y 834 2.210 2.249 4.570 0.2107 0.2633 0.6977 7DPPE C313 835 2.359 2.268 4.413 -0.3348 0.0910 -0.2931 7DPPE H13X 836 2.464 2.300 4.397 0.3103 -2.0489 -0.5692 7DPPE H13Y 837 2.293 2.322 4.342 -0.6317 1.1407 0.7404 7DPPE C314 838 2.350 2.118 4.385 -0.1010 -0.0319 0.2674 7DPPE H14X 839 2.262 2.072 4.435 0.0974 -1.0288 -0.2778 7DPPE H14Y 840 2.447 2.074 4.417 1.5879 1.1077 -2.7847 7DPPE C315 841 2.334 2.083 4.237 0.5613 -0.2420 0.2432 7DPPE H15X 842 2.249 2.141 4.196 -0.4672 -1.5197 0.5137 7DPPE H15Y 843 2.301 1.977 4.238 1.0364 -0.3937 0.1550 7DPPE C316 844 2.454 2.107 4.144 0.4095 0.6388 0.2576 7DPPE H16X 845 2.545 2.043 4.153 0.2744 0.1383 -1.5905 7DPPE H16Y 846 2.430 2.095 4.036 1.0164 1.5222 0.0226 7DPPE H16Z 847 2.493 2.210 4.156 2.7731 0.3107 -3.0846 8DPPE N 848 3.267 3.979 6.429 -0.1107 -0.0699 -0.0509 8DPPE HN1 849 3.369 3.969 6.448 0.0985 -2.1063 -1.7679 8DPPE HN2 850 3.213 4.003 6.514 1.3093 -0.9189 1.1435 8DPPE HN3 851 3.251 4.058 6.363 -0.6593 -0.1496 -0.0143 8DPPE C12 852 3.219 3.851 6.365 0.0313 0.1621 -0.6353 8DPPE H12A 853 3.129 3.871 6.304 1.4661 -0.1229 -2.9495 8DPPE H12B 854 3.303 3.810 6.305 0.8543 -0.0991 0.6435 8DPPE C11 855 3.180 3.745 6.469 -0.6393 0.4933 -0.5435 8DPPE H11A 856 3.266 3.737 6.539 -1.8643 0.5869 1.0196 8DPPE H11B 857 3.169 3.647 6.418 1.6850 -0.3401 0.4170 8DPPE P 858 2.920 3.722 6.518 0.1889 0.0493 -0.1090 8DPPE O13 859 2.823 3.799 6.599 0.7805 0.2875 0.3817 8DPPE O14 860 2.941 3.580 6.555 -0.2756 0.2201 0.8472 8DPPE O11 861 2.892 3.731 6.361 -0.6657 -0.0692 0.0332 8DPPE O12 862 3.063 3.793 6.534 -0.1235 0.5837 0.3350 8DPPE C1 863 2.855 3.861 6.314 -0.1689 0.0540 -0.0217 8DPPE HA 864 2.894 3.874 6.211 -0.0282 -1.0770 -0.1270 8DPPE HB 865 2.898 3.947 6.371 -2.1835 0.2518 1.3197 8DPPE C2 866 2.703 3.884 6.319 -0.1348 0.4597 -0.7959 8DPPE HS 867 2.681 3.886 6.428 0.3379 1.9533 -0.7183 8DPPE O21 868 2.630 3.777 6.258 -0.4934 0.3318 -0.1513 8DPPE C21 869 2.567 3.691 6.338 -0.2298 -0.0589 -0.3606 8DPPE O22 870 2.561 3.705 6.459 0.1696 -0.4288 -0.2925 8DPPE C22 871 2.496 3.586 6.253 -0.4148 -0.7216 0.5940 8DPPE H2R 872 2.386 3.584 6.269 -0.1070 -1.7309 3.1649 8DPPE H2S 873 2.543 3.488 6.278 2.4309 0.6711 1.1130 8DPPE C3 874 2.660 4.016 6.254 -0.6755 0.6317 -0.0897 8DPPE HX 875 2.701 4.102 6.312 -0.3127 -0.2397 0.9827 8DPPE HY 876 2.551 4.017 6.279 -0.4669 -0.3705 0.9189 8DPPE O31 877 2.686 4.026 6.114 -0.1137 0.0731 -0.0263 8DPPE C31 878 2.667 4.150 6.067 -0.1840 0.1438 0.1881 8DPPE O32 879 2.609 4.237 6.131 -0.6825 0.0229 -0.0901 8DPPE C32 880 2.709 4.158 5.922 -0.2851 0.4761 0.1775 8DPPE H2X 881 2.821 4.158 5.923 -0.2486 2.2054 1.6715 8DPPE H2Y 882 2.684 4.253 5.869 -0.0715 1.2716 1.4713 8DPPE C23 883 2.494 3.608 6.102 -0.2180 -0.5814 0.6113 8DPPE H3R 884 2.479 3.716 6.077 -1.3745 -1.4201 -2.9412 8DPPE H3S 885 2.406 3.554 6.062 0.4768 -3.3375 2.5193 8DPPE C24 886 2.620 3.556 6.033 -0.6485 -0.5338 -0.2211 8DPPE H4R 887 2.627 3.451 6.066 0.6705 0.0434 1.4407 8DPPE H4S 888 2.707 3.606 6.080 -0.5344 -2.5023 1.8044 8DPPE C25 889 2.613 3.565 5.880 0.2299 -0.3405 -0.2556 8DPPE H5R 890 2.616 3.673 5.857 -2.2066 -0.1711 -0.0128 8DPPE H5S 891 2.513 3.522 5.859 -0.7085 0.9701 1.2905 8DPPE C26 892 2.733 3.487 5.826 0.2855 0.0152 -0.6473 8DPPE H6R 893 2.703 3.381 5.841 -2.1438 0.5254 -1.5511 8DPPE H6S 894 2.829 3.506 5.879 -0.6145 1.4333 0.5672 8DPPE C27 895 2.766 3.506 5.678 0.2138 0.6205 -0.5869 8DPPE H7R 896 2.678 3.471 5.621 -1.2579 0.2764 1.7684 8DPPE H7S 897 2.854 3.444 5.651 -0.9295 -0.4036 -2.1124 8DPPE C28 898 2.803 3.651 5.643 0.1962 0.8216 0.2054 8DPPE H8R 899 2.792 3.705 5.739 1.4624 -0.6486 1.2218 8DPPE H8S 900 2.725 3.693 5.574 -1.4611 0.7608 1.9536 8DPPE C29 901 2.942 3.666 5.583 0.1486 0.1150 -0.0977 8DPPE H9R 902 3.014 3.633 5.660 -0.0759 1.2868 0.6360 8DPPE H9S 903 2.964 3.774 5.566 0.6918 0.1626 0.8460 8DPPE C210 904 2.965 3.601 5.446 -0.1833 0.7726 -0.4754 8DPPE H10R 905 2.966 3.492 5.469 0.2021 1.2582 2.2199 8DPPE H10S 906 3.069 3.624 5.414 0.8147 0.2444 2.1461 8DPPE C211 907 2.862 3.647 5.342 -0.1658 0.3912 -0.6636 8DPPE H11R 908 2.896 3.749 5.316 0.5482 0.5489 0.7657 8DPPE H11S 909 2.756 3.635 5.372 -0.5526 0.4338 -1.9936 8DPPE C212 910 2.872 3.555 5.221 0.0087 0.3844 -0.6444 8DPPE H12R 911 2.850 3.450 5.251 -0.6442 0.4461 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-0.4737 -0.6129 8DPPE H4X 930 2.747 3.950 5.673 0.6209 -0.1792 -0.1618 8DPPE H4Y 931 2.751 4.128 5.669 -1.8511 0.3709 -2.1629 8DPPE C35 932 2.559 4.040 5.616 -0.5265 0.6923 0.1090 8DPPE H5X 933 2.515 4.142 5.611 0.4644 1.1767 0.8079 8DPPE H5Y 934 2.486 3.970 5.662 1.5870 -2.7089 -1.3206 8DPPE C36 935 2.592 3.986 5.477 -0.3491 0.3704 0.2751 8DPPE H6X 936 2.496 3.984 5.422 1.3373 -0.2137 -2.8970 8DPPE H6Y 937 2.635 3.883 5.485 -1.0103 -0.1209 -1.7913 8DPPE C37 938 2.682 4.086 5.404 -0.3120 0.2684 0.1802 8DPPE H7X 939 2.777 4.093 5.461 -0.1309 -0.5531 -0.0188 8DPPE H7Y 940 2.629 4.181 5.380 1.2065 1.2721 0.6445 8DPPE C38 941 2.733 4.045 5.266 -0.2607 1.3297 -0.1279 8DPPE H8X 942 2.766 3.939 5.261 -1.8155 0.8671 -1.8592 8DPPE H8Y 943 2.804 4.117 5.220 -1.6882 1.5557 -2.1101 8DPPE C39 944 2.615 4.052 5.169 -0.2833 0.3980 -0.1772 8DPPE H9X 945 2.579 4.154 5.146 -1.6914 -0.3474 -1.5427 8DPPE H9Y 946 2.534 3.989 5.212 0.9869 -0.9631 0.2956 8DPPE C310 947 2.640 3.993 5.030 -0.5341 0.3489 -0.2020 8DPPE H10X 948 2.542 3.991 4.977 -1.7876 -1.5136 2.0042 8DPPE H10Y 949 2.686 3.892 5.033 -0.8360 0.2334 1.1245 8DPPE C311 950 2.747 4.081 4.966 -0.1280 -0.1498 -0.2173 8DPPE H11X 951 2.850 4.071 5.006 1.7992 3.4155 -3.5548 8DPPE H11Y 952 2.707 4.184 4.981 -1.1920 -0.3603 -1.4353 8DPPE C312 953 2.766 4.051 4.817 -0.1990 0.2241 -0.3039 8DPPE H12X 954 2.812 3.950 4.805 -0.2256 -0.0124 1.3787 8DPPE H12Y 955 2.841 4.130 4.795 -0.7416 1.5380 2.1616 8DPPE C313 956 2.644 4.085 4.731 -0.5462 -0.4050 -0.0692 8DPPE H13X 957 2.582 4.163 4.782 -1.4939 -3.0397 3.2057 8DPPE H13Y 958 2.571 4.001 4.733 -2.1642 0.9445 -0.1557 8DPPE C314 959 2.689 4.136 4.594 -0.5171 0.4459 0.2487 8DPPE H14X 960 2.766 4.066 4.553 -0.5030 -0.0736 1.1283 8DPPE H14Y 961 2.721 4.242 4.594 1.8644 -0.1356 -2.7015 8DPPE C315 962 2.576 4.149 4.492 -0.4425 -0.0972 0.0941 8DPPE H15X 963 2.617 4.177 4.393 1.2799 -0.6690 0.5995 8DPPE H15Y 964 2.499 4.222 4.525 -0.8997 -0.2721 -0.5604 8DPPE C316 965 2.493 4.022 4.470 -0.0666 -0.3245 -0.0357 8DPPE H16X 966 2.437 3.998 4.563 2.5856 -0.9097 1.5212 8DPPE H16Y 967 2.418 4.056 4.395 -0.0529 -0.3648 -0.0669 8DPPE H16Z 968 2.555 3.936 4.437 0.7916 -0.4744 1.8280 9DPPE N 969 2.476 4.814 6.567 0.8976 -0.1755 0.2385 9DPPE HN1 970 2.514 4.882 6.498 3.2031 0.0355 1.6273 9DPPE HN2 971 2.528 4.726 6.550 0.2796 -0.5103 0.0450 9DPPE HN3 972 2.377 4.796 6.540 0.7421 0.6676 0.2111 9DPPE C12 973 2.467 4.877 6.704 -0.6652 -0.5530 0.3250 9DPPE H12A 974 2.574 4.891 6.728 -0.5494 -1.7569 0.6077 9DPPE H12B 975 2.423 4.798 6.769 -1.1161 -0.2926 0.3448 9DPPE C11 976 2.405 5.017 6.696 -0.3132 -0.4050 0.1850 9DPPE H11A 977 2.401 5.052 6.801 -1.2684 -0.4828 0.1819 9DPPE H11B 978 2.303 5.010 6.654 0.6703 0.0995 -2.4847 9DPPE P 979 2.412 5.216 6.541 0.4616 -0.0403 0.3066 9DPPE O13 980 2.503 5.319 6.486 0.1244 0.1306 0.0628 9DPPE O14 981 2.308 5.272 6.629 0.5694 0.0696 0.3649 9DPPE O11 982 2.339 5.139 6.421 -0.2240 0.8100 0.1698 9DPPE O12 983 2.491 5.098 6.615 -0.1904 -0.6037 0.1143 9DPPE C1 984 2.281 5.225 6.323 -0.0225 0.9254 0.1529 9DPPE HA 985 2.348 5.290 6.263 -1.2285 0.5679 -1.6428 9DPPE HB 986 2.215 5.289 6.385 -0.8373 -0.6196 0.9269 9DPPE C2 987 2.182 5.160 6.226 0.4652 0.0488 0.2318 9DPPE HS 988 2.086 5.139 6.278 1.2235 0.5093 1.8573 9DPPE O21 989 2.251 5.044 6.177 0.3844 0.0550 0.1021 9DPPE C21 990 2.221 4.936 6.250 0.0203 0.0697 -0.0222 9DPPE O22 991 2.135 4.939 6.336 -0.0904 0.0109 -0.1305 9DPPE C22 992 2.313 4.825 6.202 -0.1022 -0.0331 -0.0200 9DPPE H2R 993 2.361 4.788 6.296 0.2576 -1.8125 -0.8512 9DPPE H2S 994 2.396 4.862 6.139 -0.2951 0.3611 -0.0425 9DPPE C3 995 2.151 5.254 6.108 0.3933 -0.0946 0.1351 9DPPE HX 996 2.092 5.342 6.142 -1.3281 -1.8894 2.0834 9DPPE HY 997 2.083 5.196 6.042 1.3400 -2.0367 0.8018 9DPPE O31 998 2.267 5.300 6.038 -0.2003 0.8199 -0.2649 9DPPE C31 999 2.269 5.296 5.904 0.1789 -0.1570 -0.2349 9DPPE O32 1000 2.177 5.254 5.836 -0.3689 0.5802 0.0340 9DPPE C32 1001 2.391 5.370 5.852 0.3191 -0.2106 0.0155 9DPPE H2X 1002 2.483 5.317 5.887 1.2956 0.9184 -0.7878 9DPPE H2Y 1003 2.375 5.471 5.893 -1.0224 -0.5117 0.2679 9DPPE C23 1004 2.243 4.708 6.133 -0.1609 -0.2932 0.4710 9DPPE H3R 1005 2.169 4.658 6.199 -1.3671 0.7590 -0.0460 9DPPE H3S 1006 2.321 4.640 6.093 1.0993 1.2399 0.2261 9DPPE C24 1007 2.182 4.766 6.005 0.1838 -1.0755 -0.0524 9DPPE H4R 1008 2.134 4.863 6.028 -1.0957 -0.4538 -4.3896 9DPPE H4S 1009 2.115 4.689 5.960 0.1992 -1.0453 -0.1266 9DPPE C25 1010 2.280 4.818 5.900 -0.2926 -0.2578 -0.1030 9DPPE H5R 1011 2.340 4.731 5.864 -0.6454 -0.5197 -0.0641 9DPPE H5S 1012 2.348 4.896 5.940 -2.2865 0.6292 1.7059 9DPPE C26 1013 2.198 4.872 5.783 -0.3311 0.6019 0.3115 9DPPE H6R 1014 2.157 4.974 5.795 -0.1596 0.8833 -1.3597 9DPPE H6S 1015 2.108 4.812 5.756 1.1061 -1.3387 -0.4182 9DPPE C27 1016 2.274 4.859 5.651 -0.3501 -0.2599 0.3790 9DPPE H7R 1017 2.280 4.749 5.633 0.6310 -0.3005 0.8786 9DPPE H7S 1018 2.375 4.901 5.666 -1.4207 2.6591 -0.0486 9DPPE C28 1019 2.198 4.926 5.536 0.0091 0.0479 0.3197 9DPPE H8R 1020 2.200 5.036 5.553 1.7484 0.0325 0.4428 9DPPE H8S 1021 2.091 4.900 5.549 -0.0645 0.2577 0.1336 9DPPE C29 1022 2.262 4.890 5.402 -0.2575 -0.1938 0.2572 9DPPE H9R 1023 2.251 4.780 5.397 -0.4533 -0.1190 -2.8638 9DPPE H9S 1024 2.366 4.925 5.389 0.1443 -1.3106 0.4065 9DPPE C210 1025 2.191 4.953 5.282 0.1190 -0.1678 0.0472 9DPPE H10R 1026 2.215 5.062 5.286 -0.5641 0.0423 -1.1118 9DPPE H10S 1027 2.081 4.937 5.282 0.2021 -0.7807 1.0813 9DPPE C211 1028 2.253 4.911 5.149 -0.3953 -0.0853 -0.2227 9DPPE H11R 1029 2.237 4.802 5.131 0.0430 0.2662 -3.3330 9DPPE H11S 1030 2.358 4.947 5.141 -0.5582 0.1258 -1.6076 9DPPE C212 1031 2.178 4.981 5.036 -0.3830 -0.4619 -0.4639 9DPPE H12R 1032 2.192 5.089 5.053 -0.1226 -0.5115 -0.3713 9DPPE H12S 1033 2.068 4.961 5.042 -0.8066 1.6418 -0.7030 9DPPE C213 1034 2.237 4.949 4.898 -0.0576 0.1571 -0.4676 9DPPE H13R 1035 2.206 4.844 4.884 -1.0732 0.4217 -0.2996 9DPPE H13S 1036 2.348 4.952 4.897 0.0304 1.9650 2.4647 9DPPE C214 1037 2.179 5.040 4.789 0.6763 0.6472 -0.4568 9DPPE H14R 1038 2.202 5.147 4.806 -0.5759 0.7686 0.5354 9DPPE H14S 1039 2.071 5.023 4.771 0.0443 3.6413 0.0035 9DPPE C215 1040 2.243 4.987 4.660 -0.0483 0.2905 -0.6725 9DPPE H15R 1041 2.183 5.033 4.578 1.9049 0.6932 -1.9425 9DPPE H15S 1042 2.233 4.876 4.652 0.9834 0.1919 -0.7013 9DPPE C216 1043 2.388 5.025 4.635 0.1100 0.1900 0.0723 9DPPE H16R 1044 2.400 5.134 4.652 0.4732 -0.0686 1.5348 9DPPE H16S 1045 2.401 4.994 4.528 -1.8364 -3.9394 0.8176 9DPPE H16T 1046 2.463 4.976 4.701 -0.4099 0.9074 1.2052 9DPPE C33 1047 2.395 5.385 5.700 -0.0133 0.6315 0.0862 9DPPE H3X 1048 2.497 5.422 5.675 1.5847 -1.4738 2.8512 9DPPE H3Y 1049 2.326 5.465 5.666 -0.6020 -0.1254 -0.5231 9DPPE C34 1050 2.375 5.268 5.603 -0.9306 0.9790 -0.1483 9DPPE H4X 1051 2.268 5.239 5.595 -0.7768 0.5810 -0.7970 9DPPE H4Y 1052 2.439 5.181 5.628 -1.6659 1.0009 2.0909 9DPPE C35 1053 2.400 5.330 5.465 -0.0327 0.2342 -0.3280 9DPPE H5X 1054 2.468 5.417 5.474 0.9991 -0.5336 -0.5507 9DPPE H5Y 1055 2.298 5.360 5.431 0.9366 2.5975 -1.3107 9DPPE C36 1056 2.458 5.240 5.356 -0.0645 -0.6082 0.3371 9DPPE H6X 1057 2.394 5.149 5.343 0.8163 -1.6289 2.5553 9DPPE H6Y 1058 2.558 5.215 5.396 1.0073 2.9701 0.1786 9DPPE C37 1059 2.493 5.319 5.230 -0.1024 -0.3042 0.5162 9DPPE H7X 1060 2.568 5.256 5.178 -0.8224 -0.4764 -0.3447 9DPPE H7Y 1061 2.538 5.417 5.257 1.4091 -0.5014 -1.1018 9DPPE C38 1062 2.369 5.338 5.141 0.1892 -0.6437 0.0328 9DPPE H8X 1063 2.283 5.385 5.192 0.7392 1.1490 -0.6267 9DPPE H8Y 1064 2.339 5.236 5.108 0.3395 -0.6568 -0.0655 9DPPE C39 1065 2.392 5.435 5.025 0.2551 -0.8770 -0.1522 9DPPE H9X 1066 2.464 5.512 5.062 0.4073 -1.4960 0.8871 9DPPE H9Y 1067 2.303 5.485 4.981 -1.6007 -2.9486 1.0284 9DPPE C310 1068 2.466 5.370 4.909 0.0149 -0.0605 -0.7739 9DPPE H10X 1069 2.423 5.270 4.883 -0.3903 0.0987 -0.7255 9DPPE H10Y 1070 2.560 5.340 4.959 -1.5002 -0.1542 2.2564 9DPPE C311 1071 2.464 5.460 4.785 -0.1856 0.6394 -0.2687 9DPPE H11X 1072 2.493 5.560 4.823 0.4774 0.3406 0.0208 9DPPE H11Y 1073 2.361 5.463 4.744 -0.2595 0.0392 -0.1453 9DPPE C312 1074 2.559 5.423 4.671 0.2931 0.3486 0.2180 9DPPE H12X 1075 2.530 5.318 4.650 -2.0236 1.0151 -0.1936 9DPPE H12Y 1076 2.659 5.429 4.720 0.3965 2.0845 -0.1456 9DPPE C313 1077 2.561 5.513 4.547 -0.0970 0.2182 0.1162 9DPPE H13X 1078 2.655 5.571 4.550 -0.2462 0.4927 -0.3536 9DPPE H13Y 1079 2.471 5.578 4.555 0.1432 0.4308 1.2584 9DPPE C314 1080 2.537 5.430 4.421 0.4410 0.5383 -0.2030 9DPPE H14X 1081 2.523 5.491 4.329 -0.2344 1.1645 0.3060 9DPPE H14Y 1082 2.446 5.366 4.434 2.3791 -2.3219 0.2027 9DPPE C315 1083 2.656 5.343 4.381 0.2702 0.2508 -0.0966 9DPPE H15X 1084 2.694 5.277 4.462 0.0219 2.1276 1.6212 9DPPE H15Y 1085 2.735 5.418 4.357 -0.3021 1.4690 1.6211 9DPPE C316 1086 2.630 5.259 4.256 0.0379 -0.0287 0.1397 9DPPE H16X 1087 2.727 5.224 4.216 -0.1739 0.1707 -0.5544 9DPPE H16Y 1088 2.578 5.328 4.186 -3.3731 -2.5552 -0.0451 9DPPE H16Z 1089 2.559 5.176 4.274 0.0489 -0.5387 -1.9488 10DPPE N 1090 4.242 1.730 6.166 0.2308 0.2064 0.3508 10DPPE HN1 1091 4.260 1.830 6.145 -2.8856 0.3176 -2.5176 10DPPE HN2 1092 4.146 1.724 6.125 -0.9492 1.8281 2.6642 10DPPE HN3 1093 4.234 1.706 6.267 -1.4721 -4.1860 -0.5772 10DPPE C12 1094 4.318 1.620 6.096 0.6019 0.3828 0.4754 10DPPE H12A 1095 4.423 1.653 6.083 -0.2487 2.9155 -0.5691 10DPPE H12B 1096 4.316 1.527 6.157 2.1614 0.8750 1.3299 10DPPE C11 1097 4.258 1.594 5.958 0.7846 0.2860 0.4132 10DPPE H11A 1098 4.174 1.520 5.959 -2.4805 3.6505 -1.0774 10DPPE H11B 1099 4.330 1.529 5.904 0.9996 0.5729 0.3531 10DPPE P 1100 4.150 1.690 5.754 -0.0178 0.0778 -0.3190 10DPPE O13 1101 4.113 1.815 5.684 -0.3273 0.1735 0.0140 10DPPE O14 1102 4.036 1.596 5.767 -0.6635 0.8725 -0.1489 10DPPE O11 1103 4.271 1.624 5.674 -0.3439 -0.1995 -0.5860 10DPPE O12 1104 4.215 1.716 5.897 0.2327 -0.2792 -0.3674 10DPPE C1 1105 4.396 1.693 5.671 -0.1569 -0.5060 0.0818 10DPPE HA 1106 4.479 1.627 5.705 1.6526 1.0352 -1.1838 10DPPE HB 1107 4.397 1.788 5.728 -1.2779 0.2159 -1.0567 10DPPE C2 1108 4.445 1.731 5.531 -0.3985 -0.3098 0.0511 10DPPE HS 1109 4.523 1.810 5.524 -2.4408 1.8886 0.4589 10DPPE O21 1110 4.331 1.774 5.455 0.1744 0.5055 -0.3716 10DPPE C21 1111 4.290 1.898 5.482 -0.8052 0.0805 0.1677 10DPPE O22 1112 4.348 1.980 5.551 0.4242 -0.4643 -0.1817 10DPPE C22 1113 4.165 1.932 5.403 -0.6187 0.1492 -0.1014 10DPPE H2R 1114 4.099 1.966 5.486 -0.3466 -1.2783 0.7403 10DPPE H2S 1115 4.130 1.853 5.333 -0.2779 -1.4440 1.4628 10DPPE C3 1116 4.508 1.606 5.469 -0.8642 -0.5979 0.1524 10DPPE HX 1117 4.449 1.518 5.500 -1.0814 -0.2343 0.7873 10DPPE HY 1118 4.611 1.596 5.510 -0.9290 1.8594 1.0601 10DPPE O31 1119 4.517 1.593 5.326 0.4394 -0.0302 0.1617 10DPPE C31 1120 4.623 1.650 5.271 -0.0243 -0.0614 -0.7806 10DPPE O32 1121 4.706 1.718 5.330 -0.0391 -0.4877 -0.2666 10DPPE C32 1122 4.636 1.607 5.125 0.1508 -0.4360 -0.6570 10DPPE H2X 1123 4.547 1.655 5.080 -0.5490 -2.0888 -1.0809 10DPPE H2Y 1124 4.625 1.497 5.126 0.8596 -0.5131 -0.2121 10DPPE C23 1125 4.206 2.054 5.320 0.5085 0.0762 0.3401 10DPPE H3R 1126 4.274 2.028 5.237 1.3548 -0.3348 1.1428 10DPPE H3S 1127 4.258 2.136 5.374 1.0728 -0.2863 0.3573 10DPPE C24 1128 4.084 2.132 5.270 0.0426 -0.3801 0.7535 10DPPE H4R 1129 4.124 2.209 5.201 -0.1951 -0.3484 0.6497 10DPPE H4S 1130 4.025 2.177 5.353 0.1001 0.2887 0.4374 10DPPE C25 1131 3.998 2.054 5.170 0.3930 0.0736 0.0903 10DPPE H5R 1132 3.930 1.991 5.231 -0.7047 0.9769 -0.1727 10DPPE H5S 1133 4.066 1.992 5.107 0.1520 1.5824 -1.7355 10DPPE C26 1134 3.912 2.147 5.085 -0.0068 -0.0535 0.3536 10DPPE H6R 1135 3.973 2.214 5.020 0.4613 -0.5996 0.2221 10DPPE H6S 1136 3.853 2.216 5.149 -0.7687 -1.1980 0.9158 10DPPE C27 1137 3.808 2.087 4.990 0.0533 1.4699 -0.7110 10DPPE H7R 1138 3.750 2.168 4.941 -1.5596 -0.4448 -2.1514 10DPPE H7S 1139 3.740 2.015 5.041 1.6863 2.2288 2.9064 10DPPE C28 1140 3.873 2.004 4.880 0.0852 0.6189 -0.0581 10DPPE H8R 1141 3.908 1.907 4.922 -1.6016 0.2549 0.5746 10DPPE H8S 1142 3.966 2.055 4.846 -0.7966 1.5587 -1.1160 10DPPE C29 1143 3.785 1.972 4.760 0.2259 0.0189 -0.0043 10DPPE H9R 1144 3.758 2.064 4.704 -0.1635 2.3407 3.7309 10DPPE H9S 1145 3.687 1.929 4.791 -1.8231 1.9241 -3.1949 10DPPE C210 1146 3.829 1.874 4.650 -0.0833 0.4827 -0.5510 10DPPE H10R 1147 3.864 1.786 4.709 -1.0520 0.5703 0.1968 10DPPE H10S 1148 3.916 1.915 4.596 1.4041 0.3486 1.6245 10DPPE C211 1149 3.720 1.837 4.550 -0.6921 0.2614 0.1789 10DPPE H11R 1150 3.714 1.916 4.472 -2.5621 -0.1732 -0.1857 10DPPE H11S 1151 3.622 1.828 4.603 -0.8850 -1.1936 -0.3651 10DPPE C212 1152 3.749 1.696 4.499 -0.0632 0.3087 0.4010 10DPPE H12R 1153 3.762 1.633 4.590 -2.7346 -2.3057 -0.8457 10DPPE H12S 1154 3.839 1.687 4.434 -0.4413 1.1910 -0.2610 10DPPE C213 1155 3.636 1.635 4.415 0.1661 -0.0541 0.3549 10DPPE H13R 1156 3.546 1.660 4.475 1.0239 -1.3334 2.2812 10DPPE H13S 1157 3.631 1.526 4.393 0.8873 -0.1811 0.7596 10DPPE C214 1158 3.604 1.717 4.290 0.2025 -0.3382 0.1567 10DPPE H14R 1159 3.632 1.821 4.317 2.3227 -1.1548 1.3558 10DPPE H14S 1160 3.495 1.705 4.274 0.2865 -1.1162 0.1397 10DPPE C215 1161 3.679 1.691 4.160 -0.5795 0.0658 -0.3840 10DPPE H15R 1162 3.633 1.599 4.119 -0.2264 -1.1711 1.8539 10DPPE H15S 1163 3.786 1.666 4.181 -1.2394 -2.3191 0.4545 10DPPE C216 1164 3.688 1.807 4.061 -0.4930 -0.0228 -0.4807 10DPPE H16R 1165 3.744 1.798 3.965 3.5728 0.6701 1.6178 10DPPE H16S 1166 3.747 1.884 4.114 -0.1670 -0.5569 -0.0658 10DPPE H16T 1167 3.588 1.850 4.039 -1.3654 -0.2816 2.5377 10DPPE C33 1168 4.767 1.654 5.060 0.2184 0.0927 -0.1500 10DPPE H3X 1169 4.780 1.760 5.092 1.2839 0.3345 -1.3026 10DPPE H3Y 1170 4.761 1.642 4.950 -1.4799 -0.8473 0.0019 10DPPE C34 1171 4.893 1.582 5.106 0.1249 0.4603 0.7011 10DPPE H4X 1172 4.884 1.471 5.108 -1.4660 0.5707 1.2401 10DPPE H4Y 1173 4.911 1.613 5.211 -2.7445 3.3610 0.5025 10DPPE C35 1174 5.014 1.609 5.017 -0.3674 0.0392 -0.1080 10DPPE H5X 1175 4.996 1.567 4.916 1.2727 -2.2757 0.4961 10DPPE H5Y 1176 5.104 1.554 5.052 -0.2865 0.9485 1.2187 10DPPE C36 1177 5.043 1.759 5.004 -0.2961 0.0217 -0.1544 10DPPE H6X 1178 4.958 1.807 4.950 1.4813 1.3123 -1.9631 10DPPE H6Y 1179 5.067 1.804 5.103 0.2225 -0.4204 -0.0734 10DPPE C37 1180 5.162 1.789 4.914 0.1663 -0.5889 0.2427 10DPPE H7X 1181 5.237 1.711 4.939 0.7646 -0.5773 -1.3433 10DPPE H7Y 1182 5.198 1.892 4.938 1.5036 -0.4120 -2.0981 10DPPE C38 1183 5.125 1.788 4.765 0.3344 -0.1477 0.1962 10DPPE H8X 1184 5.071 1.695 4.739 -0.3638 0.7361 -1.6691 10DPPE H8Y 1185 5.056 1.874 4.749 1.1043 0.4869 0.1866 10DPPE C39 1186 5.247 1.810 4.674 -0.2598 0.0232 -0.5696 10DPPE H9X 1187 5.332 1.741 4.696 1.2324 1.0607 -2.7491 10DPPE H9Y 1188 5.279 1.913 4.697 -1.0663 0.1145 0.2159 10DPPE C310 1189 5.209 1.795 4.527 0.1197 -0.1118 -0.6543 10DPPE H10X 1190 5.134 1.873 4.501 1.0374 1.8360 2.1117 10DPPE H10Y 1191 5.157 1.698 4.514 -0.7392 -0.4306 3.7434 10DPPE C311 1192 5.329 1.804 4.432 0.5195 0.2128 -0.1228 10DPPE H11X 1193 5.408 1.734 4.468 0.2948 1.2286 2.6416 10DPPE H11Y 1194 5.369 1.903 4.462 -0.5349 0.4865 0.4254 10DPPE C312 1195 5.288 1.792 4.285 0.4572 -0.4918 -0.0525 10DPPE H12X 1196 5.181 1.822 4.279 -0.2725 -2.5548 1.4156 10DPPE H12Y 1197 5.307 1.691 4.243 1.4693 -0.3364 0.0085 10DPPE C313 1198 5.362 1.888 4.192 0.1090 -0.0942 0.0767 10DPPE H13X 1199 5.355 1.987 4.242 -4.1299 -1.0933 1.9195 10DPPE H13Y 1200 5.310 1.904 4.096 0.2621 0.4288 0.0764 10DPPE C314 1201 5.506 1.849 4.158 0.1717 -0.0847 0.3297 10DPPE H14X 1202 5.575 1.818 4.240 -0.2234 -2.7819 -0.2549 10DPPE H14Y 1203 5.559 1.942 4.129 0.5555 0.2848 2.0695 10DPPE C315 1204 5.525 1.747 4.046 0.0964 0.6042 -0.3156 10DPPE H15X 1205 5.482 1.650 4.078 -0.0445 0.7551 -0.0450 10DPPE H15Y 1206 5.632 1.724 4.023 -0.3644 -0.2829 -1.7015 10DPPE C316 1207 5.462 1.788 3.913 -0.7717 0.3039 0.0025 10DPPE H16X 1208 5.354 1.808 3.933 -0.6738 0.2682 0.5946 10DPPE H16Y 1209 5.458 1.710 3.833 -1.2644 -0.4796 0.7662 10DPPE H16Z 1210 5.492 1.885 3.868 -1.9533 -0.2321 -2.0678 11DPPE N 1211 5.440 1.401 6.471 0.3268 -0.3791 -0.0396 11DPPE HN1 1212 5.404 1.472 6.538 -1.1546 0.4707 -1.6480 11DPPE HN2 1213 5.515 1.344 6.515 0.0346 -0.9981 -0.3169 11DPPE HN3 1214 5.485 1.453 6.393 0.4883 -1.1633 -0.4793 11DPPE C12 1215 5.334 1.310 6.413 0.1267 -0.0636 -0.1680 11DPPE H12A 1216 5.286 1.263 6.502 -0.1036 1.2306 0.4143 11DPPE H12B 1217 5.391 1.238 6.351 -0.1450 0.1287 -0.6518 11DPPE C11 1218 5.217 1.379 6.341 0.3121 -0.3607 -0.7609 11DPPE H11A 1219 5.152 1.421 6.421 2.4870 2.9870 -0.5449 11DPPE H11B 1220 5.164 1.300 6.283 -1.8144 -0.4747 1.1769 11DPPE P 1221 5.150 1.541 6.165 0.1818 -0.0395 0.0053 11DPPE O13 1222 5.190 1.666 6.097 0.0472 -0.1467 -0.2691 11DPPE O14 1223 5.024 1.557 6.242 -0.1073 -0.2333 -0.4276 11DPPE O11 1224 5.144 1.417 6.064 -0.1424 -0.2203 0.2473 11DPPE O12 1225 5.267 1.485 6.260 0.3528 0.1218 -0.1092 11DPPE C1 1226 5.263 1.355 6.017 -0.2020 -0.0503 -0.1291 11DPPE HA 1227 5.247 1.245 6.019 2.7961 -0.5830 -0.6064 11DPPE HB 1228 5.356 1.370 6.076 -0.3013 -0.8400 0.2498 11DPPE C2 1229 5.304 1.400 5.876 0.4899 0.3911 0.2092 11DPPE HS 1230 5.389 1.334 5.848 -0.4091 -0.9010 0.4437 11DPPE O21 1231 5.336 1.539 5.865 0.5653 0.3641 0.0774 11DPPE C21 1232 5.467 1.564 5.861 0.6094 0.1742 0.3050 11DPPE O22 1233 5.560 1.487 5.879 0.6973 0.0028 -0.7991 11DPPE C22 1234 5.475 1.714 5.836 0.0998 0.1899 0.2189 11DPPE H2R 1235 5.483 1.770 5.932 2.8195 0.5513 -0.1171 11DPPE H2S 1236 5.381 1.738 5.782 -0.4447 1.7975 1.7846 11DPPE C3 1237 5.189 1.376 5.776 0.2924 0.5259 0.4027 11DPPE HX 1238 5.092 1.425 5.798 -0.3682 -0.1601 -0.8612 11DPPE HY 1239 5.171 1.268 5.798 1.5464 -0.1358 -1.5374 11DPPE O31 1240 5.223 1.379 5.637 -0.0483 -0.2366 0.2982 11DPPE C31 1241 5.204 1.500 5.586 0.1167 -0.1314 0.4851 11DPPE O32 1242 5.157 1.596 5.644 0.5546 0.2812 0.1701 11DPPE C32 1243 5.238 1.505 5.438 -0.2191 0.5210 0.4228 11DPPE H2X 1244 5.151 1.537 5.377 1.0448 1.2996 -1.0541 11DPPE H2Y 1245 5.273 1.404 5.406 0.8982 0.2842 2.2727 11DPPE C23 1246 5.590 1.756 5.745 0.4988 0.7161 0.9551 11DPPE H3R 1247 5.623 1.674 5.678 -0.5748 1.1806 -0.1758 11DPPE H3S 1248 5.682 1.781 5.803 1.7775 -2.5281 0.5139 11DPPE C24 1249 5.547 1.876 5.660 0.0231 0.2035 0.4671 11DPPE H4R 1250 5.489 1.945 5.726 -3.0467 -0.7745 -0.9932 11DPPE H4S 1251 5.475 1.841 5.583 0.3147 -2.9618 1.4906 11DPPE C25 1252 5.664 1.945 5.589 -0.1666 -0.1046 -0.1540 11DPPE H5R 1253 5.724 1.864 5.542 -2.4562 -1.5655 -0.7595 11DPPE H5S 1254 5.724 2.000 5.665 -0.9902 1.1889 -0.4048 11DPPE C26 1255 5.616 2.044 5.483 0.2127 0.4160 0.1535 11DPPE H6R 1256 5.539 2.109 5.527 -0.6003 -1.1961 1.1992 11DPPE H6S 1257 5.560 1.988 5.404 0.5562 -0.2221 0.3548 11DPPE C27 1258 5.718 2.145 5.429 -0.0014 0.1660 -0.7407 11DPPE H7R 1259 5.773 2.203 5.506 -0.7950 2.4025 -1.7661 11DPPE H7S 1260 5.671 2.221 5.363 -1.3598 1.1111 1.2233 11DPPE C28 1261 5.838 2.064 5.379 -0.3736 0.0257 -1.4140 11DPPE H8R 1262 5.789 1.983 5.321 2.2313 -1.6374 -1.4578 11DPPE H8S 1263 5.878 2.022 5.473 1.4441 -1.1264 -2.6337 11DPPE C29 1264 5.935 2.153 5.301 0.4702 0.5117 0.1606 11DPPE H9R 1265 5.954 2.250 5.353 -0.2351 1.8833 -1.9891 11DPPE H9S 1266 5.892 2.183 5.203 2.1648 0.9304 -0.4914 11DPPE C210 1267 6.071 2.091 5.271 0.1560 0.0192 -0.2713 11DPPE H10R 1268 6.059 2.000 5.208 -1.3938 -0.9261 1.2691 11DPPE H10S 1269 6.107 2.044 5.365 -1.7600 -1.5085 -0.2377 11DPPE C211 1270 6.179 2.181 5.211 0.4260 -0.1689 -0.0708 11DPPE H11R 1271 6.124 2.228 5.127 -0.6786 -0.0201 0.7176 11DPPE H11S 1272 6.263 2.126 5.163 0.3785 0.9067 -1.4439 11DPPE C212 1273 6.232 2.294 5.300 -0.1736 -0.1527 0.2707 11DPPE H12R 1274 6.274 2.238 5.386 1.5275 -0.9817 -1.0433 11DPPE H12S 1275 6.161 2.373 5.334 2.5969 3.1071 -0.9410 11DPPE C213 1276 6.357 2.367 5.251 -0.5994 0.2451 -0.2371 11DPPE H13R 1277 6.433 2.286 5.242 -1.1004 -0.2048 -0.5096 11DPPE H13S 1278 6.389 2.446 5.322 -2.4718 1.1237 -0.3127 11DPPE C214 1279 6.324 2.445 5.123 -0.5133 0.2669 -0.2463 11DPPE H14R 1280 6.379 2.541 5.135 2.8304 -1.1471 -2.6428 11DPPE H14S 1281 6.213 2.443 5.119 -0.4722 -0.5866 -1.3817 11DPPE C215 1282 6.379 2.381 4.995 -0.5506 -0.2735 0.0030 11DPPE H15R 1283 6.368 2.271 5.004 -2.8592 -0.0048 1.4258 11DPPE H15S 1284 6.481 2.405 4.959 -0.6351 0.2628 0.1013 11DPPE C216 1285 6.297 2.417 4.871 -0.3516 0.3244 0.0398 11DPPE H16R 1286 6.333 2.361 4.781 -1.8597 -0.8542 0.1247 11DPPE H16S 1287 6.306 2.524 4.842 3.9629 0.4363 1.2001 11DPPE H16T 1288 6.191 2.399 4.898 0.3632 0.0409 3.0292 11DPPE C33 1289 5.348 1.611 5.426 0.0552 0.1868 -0.1034 11DPPE H3X 1290 5.427 1.546 5.468 -1.2881 -2.2287 -1.1192 11DPPE H3Y 1291 5.323 1.694 5.496 0.2054 1.0219 -1.0124 11DPPE C34 1292 5.359 1.661 5.282 0.2566 -0.7903 -0.4352 11DPPE H4X 1293 5.261 1.705 5.253 -0.8613 -2.8419 -0.0089 11DPPE H4Y 1294 5.381 1.572 5.219 -0.1553 -0.9337 -0.3827 11DPPE C35 1295 5.453 1.780 5.262 -0.9044 0.3026 0.3666 11DPPE H5X 1296 5.562 1.770 5.283 -0.6418 2.3382 0.1378 11DPPE H5Y 1297 5.424 1.862 5.331 1.0384 0.1845 1.3986 11DPPE C36 1298 5.440 1.845 5.124 -0.6373 0.6448 0.5005 11DPPE H6X 1299 5.337 1.886 5.126 0.4524 3.5592 0.5899 11DPPE H6Y 1300 5.451 1.780 5.035 -0.4610 -1.4229 1.9587 11DPPE C37 1301 5.531 1.967 5.115 -0.0386 0.1389 -0.5568 11DPPE H7X 1302 5.508 2.034 5.201 -0.7339 -2.2034 1.1847 11DPPE H7Y 1303 5.497 2.030 5.030 -0.6758 -0.0371 -0.4359 11DPPE C38 1304 5.681 1.949 5.091 -0.0048 -0.3820 0.0381 11DPPE H8X 1305 5.717 1.862 5.151 -2.6624 -1.7568 -0.1788 11DPPE H8Y 1306 5.722 2.050 5.111 -0.5918 -0.2280 0.4946 11DPPE C39 1307 5.708 1.912 4.945 -0.0441 0.4569 -0.1861 11DPPE H9X 1308 5.701 1.802 4.927 -2.7040 0.7459 -1.4177 11DPPE H9Y 1309 5.636 1.966 4.881 0.6030 -1.7803 -2.9860 11DPPE C310 1310 5.855 1.945 4.919 0.2273 -0.1091 0.5802 11DPPE H10X 1311 5.902 1.901 5.010 -1.3509 -0.0014 1.4827 11DPPE H10Y 1312 5.893 2.049 4.911 -0.6423 0.4271 2.6919 11DPPE C311 1313 5.905 1.867 4.798 -0.0005 -0.3888 0.6654 11DPPE H11X 1314 5.864 1.911 4.704 0.3165 -0.4915 0.4789 11DPPE H11Y 1315 5.862 1.765 4.792 -1.7225 0.3377 -0.1495 11DPPE C312 1316 6.057 1.853 4.802 0.0706 0.2686 0.4367 11DPPE H12X 1317 6.083 1.774 4.729 1.4594 1.3054 -0.2328 11DPPE H12Y 1318 6.081 1.822 4.906 2.0465 -0.1432 -0.1002 11DPPE C313 1319 6.147 1.975 4.778 -0.2503 0.4342 0.0779 11DPPE H13X 1320 6.108 2.050 4.849 0.3991 -0.4922 1.4498 11DPPE H13Y 1321 6.157 2.000 4.670 1.2588 -0.5837 -0.0536 11DPPE C314 1322 6.293 1.952 4.818 -0.1348 -0.0568 -0.6021 11DPPE H14X 1323 6.314 1.843 4.808 0.4419 0.1626 -2.1109 11DPPE H14Y 1324 6.298 1.991 4.922 -0.6192 0.0177 -0.6025 11DPPE C315 1325 6.383 2.035 4.727 0.2829 0.6445 0.4323 11DPPE H15X 1326 6.325 2.119 4.685 1.9094 1.2091 -0.8085 11DPPE H15Y 1327 6.410 1.972 4.639 2.1867 -1.0708 2.1350 11DPPE C316 1328 6.514 2.076 4.794 0.2037 0.3361 0.7752 11DPPE H16X 1329 6.488 2.132 4.887 1.8068 -1.6466 2.5301 11DPPE H16Y 1330 6.577 2.146 4.735 -1.8674 -0.3424 -2.4799 11DPPE H16Z 1331 6.567 1.985 4.830 -1.9301 -1.3982 -0.2049 12DPPE N 1332 2.928 3.361 6.404 -0.5930 -0.0095 0.1575 12DPPE HN1 1333 2.948 3.444 6.463 1.4404 0.4242 -1.0503 12DPPE HN2 1334 2.886 3.276 6.448 1.0228 -0.6502 0.5092 12DPPE HN3 1335 3.024 3.334 6.374 -0.2612 1.8340 -0.5133 12DPPE C12 1336 2.855 3.378 6.273 -0.9926 0.8932 0.4938 12DPPE H12A 1337 2.771 3.450 6.285 -0.2991 2.1349 -1.6138 12DPPE H12B 1338 2.923 3.431 6.203 -0.0819 -1.0441 -0.1305 12DPPE C11 1339 2.811 3.241 6.223 0.5744 0.4213 0.3585 12DPPE H11A 1340 2.739 3.256 6.139 -0.2131 2.7146 1.3681 12DPPE H11B 1341 2.894 3.175 6.189 1.0681 1.0259 0.3816 12DPPE P 1342 2.732 3.022 6.327 -0.0586 -0.0514 0.2051 12DPPE O13 1343 2.644 2.965 6.431 -0.3440 0.1558 0.0770 12DPPE O14 1344 2.871 2.971 6.329 0.1770 0.5252 -0.6840 12DPPE O11 1345 2.677 2.992 6.180 0.0657 -0.2931 0.2081 12DPPE O12 1346 2.736 3.182 6.330 0.1341 -0.0463 -0.1997 12DPPE C1 1347 2.658 2.863 6.121 -0.3895 0.0112 -0.3188 12DPPE HA 1348 2.581 2.862 6.041 -0.8343 -3.2576 -0.0070 12DPPE HB 1349 2.619 2.791 6.196 0.7745 -0.7574 -0.4274 12DPPE C2 1350 2.794 2.824 6.062 -0.1746 -0.4773 0.4852 12DPPE HS 1351 2.866 2.801 6.143 0.8868 -0.4169 -0.4163 12DPPE O21 1352 2.854 2.939 6.003 0.0812 -0.8620 -0.0160 12DPPE C21 1353 2.985 2.920 5.985 0.1905 0.0711 -0.2659 12DPPE O22 1354 3.046 2.816 6.001 -0.1570 -0.1177 -0.1444 12DPPE C22 1355 3.055 3.044 5.932 0.2451 0.1723 0.0384 12DPPE H2R 1356 3.165 3.033 5.930 0.1764 -0.4300 -0.3880 12DPPE H2S 1357 3.032 3.135 5.992 -1.4956 -0.8137 0.9504 12DPPE C3 1358 2.787 2.700 5.971 -0.5581 0.0225 -0.1764 12DPPE HX 1359 2.748 2.620 6.038 -2.4783 0.3569 -0.8306 12DPPE HY 1360 2.890 2.667 5.943 0.8343 -0.0220 4.2138 12DPPE O31 1361 2.704 2.693 5.855 -0.3658 -0.6289 -0.2816 12DPPE C31 1362 2.747 2.749 5.741 -0.1258 0.2349 0.2193 12DPPE O32 1363 2.855 2.800 5.719 0.1305 -0.5591 -0.4344 12DPPE C32 1364 2.641 2.727 5.633 0.1191 0.6390 -0.1044 12DPPE H2X 1365 2.591 2.823 5.610 -0.4648 0.2911 -0.2948 12DPPE H2Y 1366 2.561 2.657 5.666 1.9455 -1.6790 -0.3168 12DPPE C23 1367 3.012 3.048 5.785 -0.0128 0.0356 0.1110 12DPPE H3R 1368 2.901 3.048 5.792 0.0424 0.6313 1.3530 12DPPE H3S 1369 3.054 2.960 5.732 -0.3119 -0.1395 0.1623 12DPPE C24 1370 3.063 3.170 5.708 -0.6017 0.3385 0.1910 12DPPE H4R 1371 3.170 3.181 5.737 -0.8721 1.7512 0.7276 12DPPE H4S 1372 2.992 3.248 5.741 0.2409 0.9588 0.5797 12DPPE C25 1373 3.067 3.149 5.557 0.3878 -0.1687 0.2751 12DPPE H5R 1374 3.114 3.055 5.521 -0.6293 -0.5088 -0.2086 12DPPE H5S 1375 3.123 3.226 5.500 2.3329 -1.2483 0.6491 12DPPE C26 1376 2.926 3.143 5.498 0.4847 0.5405 -0.0370 12DPPE H6R 1377 2.854 3.215 5.543 0.4648 1.2415 -1.1458 12DPPE H6S 1378 2.881 3.042 5.504 1.0064 0.1318 -2.1421 12DPPE C27 1379 2.928 3.160 5.346 0.6110 0.1836 -0.0765 12DPPE H7R 1380 3.030 3.136 5.309 1.0522 0.0082 1.2280 12DPPE H7S 1381 2.905 3.266 5.323 0.3043 0.4964 1.5618 12DPPE C28 1382 2.813 3.087 5.277 -0.2768 0.8786 0.6431 12DPPE H8R 1383 2.716 3.112 5.326 0.4261 0.8703 2.0992 12DPPE H8S 1384 2.821 2.977 5.292 0.1725 0.7243 -0.5966 12DPPE C29 1385 2.816 3.128 5.130 0.5491 -0.2696 0.3242 12DPPE H9R 1386 2.925 3.132 5.112 0.3245 0.1368 -1.0675 12DPPE H9S 1387 2.783 3.233 5.114 0.2547 -0.4799 -0.5466 12DPPE C210 1388 2.745 3.021 5.046 0.5694 -0.1747 0.1846 12DPPE H10R 1389 2.647 3.000 5.095 0.9888 -1.7498 0.4035 12DPPE H10S 1390 2.797 2.926 5.070 1.7490 0.9183 2.2519 12DPPE C211 1391 2.743 3.034 4.894 0.4401 -0.5994 0.1462 12DPPE H11R 1392 2.669 3.112 4.865 2.0485 1.5580 1.4793 12DPPE H11S 1393 2.700 2.947 4.841 -2.0716 0.9736 -0.6072 12DPPE C212 1394 2.888 3.040 4.845 0.3567 0.6302 0.0138 12DPPE H12R 1395 2.951 2.969 4.903 -0.0723 -2.5808 -3.0822 12DPPE H12S 1396 2.923 3.142 4.872 2.5264 -0.3929 1.3204 12DPPE C213 1397 2.911 3.002 4.698 -0.3057 0.3674 -0.0214 12DPPE H13R 1398 2.884 2.894 4.691 4.0854 -0.8676 -0.7403 12DPPE H13S 1399 3.020 3.013 4.681 0.6814 -1.2601 3.9859 12DPPE C214 1400 2.831 3.090 4.602 -0.7910 0.5473 0.5409 12DPPE H14R 1401 2.880 3.190 4.603 0.8070 -0.0856 -2.7830 12DPPE H14S 1402 2.726 3.089 4.639 -1.1932 -0.9044 -0.5392 12DPPE C215 1403 2.825 3.043 4.457 0.6512 0.0206 0.6403 12DPPE H15R 1404 2.766 3.119 4.403 4.1148 1.7747 -0.9952 12DPPE H15S 1405 2.775 2.943 4.461 1.5387 -0.4279 0.8151 12DPPE C216 1406 2.962 3.038 4.390 0.3603 0.5569 -0.0126 12DPPE H16R 1407 3.008 2.944 4.430 -2.2907 -1.0050 -0.4028 12DPPE H16S 1408 3.032 3.119 4.420 -0.1801 0.7796 0.6755 12DPPE H16T 1409 2.956 3.037 4.279 -1.1357 -0.9638 0.0344 12DPPE C33 1410 2.706 2.687 5.501 -0.4039 0.0727 -0.1928 12DPPE H3X 1411 2.775 2.601 5.514 0.0217 0.3580 -0.5189 12DPPE H3Y 1412 2.766 2.768 5.453 0.4725 -0.0691 0.6438 12DPPE C34 1413 2.600 2.633 5.404 -0.5415 -0.4034 0.2229 12DPPE H4X 1414 2.537 2.722 5.386 1.0823 1.1702 1.8922 12DPPE H4Y 1415 2.533 2.559 5.453 -0.2215 1.1854 3.2554 12DPPE C35 1416 2.665 2.567 5.282 -0.2526 0.0014 0.1570 12DPPE H5X 1417 2.587 2.537 5.208 1.4794 -0.7187 -1.4560 12DPPE H5Y 1418 2.707 2.472 5.320 -2.3742 -1.5447 -1.1571 12DPPE C36 1419 2.762 2.659 5.207 -0.0112 -0.6381 -0.3244 12DPPE H6X 1420 2.858 2.677 5.258 0.4172 -1.1960 -0.9185 12DPPE H6Y 1421 2.709 2.754 5.183 1.7665 0.7135 0.9249 12DPPE C37 1422 2.813 2.591 5.080 0.6019 0.2327 -0.5528 12DPPE H7X 1423 2.866 2.673 5.027 2.5751 -1.1734 -0.8332 12DPPE H7Y 1424 2.717 2.569 5.027 -0.0740 4.5651 -1.4712 12DPPE C38 1425 2.879 2.456 5.106 -0.3458 -0.1247 0.0516 12DPPE H8X 1426 2.795 2.394 5.143 -1.0699 1.7124 1.6132 12DPPE H8Y 1427 2.962 2.469 5.179 -0.9830 -0.1551 0.8023 12DPPE C39 1428 2.928 2.377 4.985 0.0048 -0.3665 0.3471 12DPPE H9X 1429 2.842 2.321 4.943 -1.4428 0.6123 1.8802 12DPPE H9Y 1430 2.991 2.292 5.021 -0.7884 -0.5506 1.3317 12DPPE C310 1431 3.003 2.462 4.881 0.0036 -0.3969 0.3212 12DPPE H10X 1432 3.093 2.501 4.933 0.6130 -0.9307 -0.3197 12DPPE H10Y 1433 2.950 2.548 4.835 -1.3632 -1.2905 0.1648 12DPPE C311 1434 3.052 2.380 4.762 -0.0666 0.7187 -0.4910 12DPPE H11X 1435 3.058 2.275 4.798 1.6625 1.2740 0.9894 12DPPE H11Y 1436 3.156 2.408 4.734 -0.5623 1.3461 -1.7804 12DPPE C312 1437 2.979 2.390 4.628 -0.1699 -0.1828 -0.5061 12DPPE H12X 1438 2.868 2.384 4.629 -0.1811 -0.0916 -0.9836 12DPPE H12Y 1439 3.003 2.315 4.550 3.1866 0.6985 -0.4575 12DPPE C313 1440 3.007 2.519 4.552 0.0352 0.0206 -0.0899 12DPPE H13X 1441 3.070 2.594 4.604 0.5494 0.2075 -0.9588 12DPPE H13Y 1442 2.906 2.561 4.529 -0.1683 -0.6128 -0.3788 12DPPE C314 1443 3.074 2.500 4.416 0.0146 -0.1113 -0.0813 12DPPE H14X 1444 3.016 2.414 4.378 1.1306 -1.7043 1.6735 12DPPE H14Y 1445 3.182 2.474 4.419 0.0335 -0.1198 -0.6610 12DPPE C315 1446 3.051 2.613 4.316 -0.1365 -0.2334 -0.1846 12DPPE H15X 1447 3.087 2.706 4.364 -0.9654 1.0807 -1.9626 12DPPE H15Y 1448 2.945 2.636 4.291 -0.4883 -0.2602 1.2213 12DPPE C316 1449 3.134 2.592 4.190 0.0360 -0.3042 -0.0586 12DPPE H16X 1450 3.135 2.690 4.137 1.1856 -0.6078 -0.6344 12DPPE H16Y 1451 3.080 2.517 4.127 0.1967 1.2837 -2.2200 12DPPE H16Z 1452 3.240 2.562 4.207 0.2909 0.8586 0.5030 13DPPE N 1453 3.704 4.373 6.517 -0.0740 -0.0956 0.1809 13DPPE HN1 1454 3.710 4.411 6.421 1.7779 -0.2523 0.1936 13DPPE HN2 1455 3.676 4.452 6.578 1.4287 -0.2556 1.1338 13DPPE HN3 1456 3.792 4.331 6.553 0.2554 -0.1389 -0.6447 13DPPE C12 1457 3.606 4.260 6.538 -0.2266 -0.1468 -0.7750 13DPPE H12A 1458 3.628 4.220 6.639 -1.9453 0.8782 0.0492 13DPPE H12B 1459 3.629 4.177 6.467 1.4685 -0.1377 -0.2809 13DPPE C11 1460 3.461 4.307 6.529 -0.2901 -0.0884 0.4062 13DPPE H11A 1461 3.441 4.368 6.620 0.3299 2.7858 -1.2608 13DPPE H11B 1462 3.403 4.212 6.531 1.0069 -0.9663 -1.2918 13DPPE P 1463 3.308 4.356 6.332 -0.0615 0.2023 -0.0796 13DPPE O13 1464 3.208 4.439 6.404 0.0517 0.0221 0.2838 13DPPE O14 1465 3.285 4.210 6.326 0.1704 0.1610 0.0451 13DPPE O11 1466 3.334 4.404 6.181 -0.1381 0.3231 -0.0550 13DPPE O12 1467 3.446 4.382 6.408 -0.2108 -0.1931 0.3312 13DPPE C1 1468 3.463 4.429 6.124 0.0800 0.0318 0.3010 13DPPE HA 1469 3.543 4.399 6.195 -0.0150 -0.6784 0.1165 13DPPE HB 1470 3.469 4.531 6.081 0.1200 -0.1409 -0.1074 13DPPE C2 1471 3.483 4.340 6.000 -0.0865 0.2098 0.1453 13DPPE HS 1472 3.589 4.358 5.971 0.8877 -1.6719 2.2201 13DPPE O21 1473 3.387 4.379 5.901 -0.0175 -0.5592 -0.2360 13DPPE C21 1474 3.435 4.358 5.779 -0.0467 0.4495 -0.4287 13DPPE O22 1475 3.551 4.335 5.748 0.0823 0.0045 0.3860 13DPPE C22 1476 3.328 4.355 5.670 -0.3883 0.1471 -0.0882 13DPPE H2R 1477 3.263 4.443 5.690 -0.1162 0.0920 1.0899 13DPPE H2S 1478 3.278 4.256 5.678 1.8611 -0.9311 1.6223 13DPPE C3 1479 3.472 4.191 6.037 0.6286 0.1890 0.2993 13DPPE HX 1480 3.366 4.188 6.071 -0.8680 0.6878 -3.7937 13DPPE HY 1481 3.539 4.171 6.123 0.2716 -0.9536 0.3267 13DPPE O31 1482 3.501 4.106 5.926 -0.0909 0.1023 0.1710 13DPPE C31 1483 3.623 4.051 5.922 -0.2470 -0.2525 0.2452 13DPPE O32 1484 3.709 4.079 6.004 -0.1381 -0.4097 0.1830 13DPPE C32 1485 3.639 3.966 5.797 -0.2771 0.2310 -0.0916 13DPPE H2X 1486 3.553 3.986 5.731 1.4527 4.5290 -1.4243 13DPPE H2Y 1487 3.638 3.859 5.825 -2.4080 0.2617 0.1092 13DPPE C23 1488 3.382 4.364 5.527 0.2941 0.5585 0.1909 13DPPE H3R 1489 3.287 4.345 5.473 0.2652 1.4305 -0.0793 13DPPE H3S 1490 3.445 4.275 5.505 -2.0330 -0.6126 -2.3249 13DPPE C24 1491 3.437 4.498 5.478 0.6707 0.4932 0.4299 13DPPE H4R 1492 3.522 4.526 5.545 -0.9128 1.1645 2.2627 13DPPE H4S 1493 3.364 4.581 5.491 -2.1897 -1.4608 -1.8891 13DPPE C25 1494 3.496 4.505 5.337 -0.0757 0.3600 0.1048 13DPPE H5R 1495 3.599 4.463 5.337 -0.0101 0.5250 -0.6309 13DPPE H5S 1496 3.500 4.609 5.299 -0.3654 -0.9290 -3.9289 13DPPE C26 1497 3.407 4.436 5.234 -0.6053 0.9817 0.1399 13DPPE H6R 1498 3.301 4.457 5.261 -0.9510 -0.3805 -0.0528 13DPPE H6S 1499 3.422 4.326 5.225 2.2833 1.3114 -0.1091 13DPPE C27 1500 3.449 4.472 5.091 0.3307 0.1585 0.1973 13DPPE H7R 1501 3.559 4.460 5.094 0.4994 1.5071 0.0048 13DPPE H7S 1502 3.422 4.579 5.083 1.0092 0.2309 -1.3231 13DPPE C28 1503 3.373 4.382 4.993 0.0287 0.7831 -0.1514 13DPPE H8R 1504 3.266 4.369 5.017 -0.2487 -2.5407 -2.4883 13DPPE H8S 1505 3.405 4.276 5.006 -0.6928 0.5906 0.0970 13DPPE C29 1506 3.405 4.407 4.846 -0.4144 0.2069 -0.3509 13DPPE H9R 1507 3.382 4.513 4.824 -0.8822 -0.1624 -1.7262 13DPPE H9S 1508 3.348 4.345 4.773 -2.6836 -0.3101 1.7421 13DPPE C210 1509 3.554 4.378 4.829 -0.2418 0.7174 0.2567 13DPPE H10R 1510 3.579 4.277 4.867 0.6127 1.2508 1.1867 13DPPE H10S 1511 3.620 4.449 4.884 0.0845 1.7357 -1.3763 13DPPE C211 1512 3.579 4.381 4.678 -0.4443 -0.4826 0.1914 13DPPE H11R 1513 3.572 4.488 4.651 -0.2352 -0.4159 0.3910 13DPPE H11S 1514 3.504 4.324 4.620 -2.0991 2.3265 -0.6155 13DPPE C212 1515 3.716 4.321 4.644 0.2661 1.2397 -0.1096 13DPPE H12R 1516 3.742 4.229 4.701 -1.6849 2.2753 2.6503 13DPPE H12S 1517 3.790 4.396 4.679 0.4258 0.6236 0.9267 13DPPE C213 1518 3.724 4.281 4.496 -0.4563 -0.8883 0.3844 13DPPE H13R 1519 3.724 4.373 4.433 0.1160 -0.2943 1.2231 13DPPE H13S 1520 3.628 4.233 4.466 -0.9167 0.7800 -0.9683 13DPPE C214 1521 3.846 4.196 4.461 0.0806 0.1085 -0.2199 13DPPE H14R 1522 3.824 4.104 4.520 -1.1964 0.3361 -0.3013 13DPPE H14S 1523 3.931 4.248 4.510 -0.7107 2.4886 -1.2125 13DPPE C215 1524 3.859 4.167 4.311 -0.7718 0.4263 -0.3614 13DPPE H15R 1525 3.952 4.109 4.291 -0.4001 1.4275 -1.6807 13DPPE H15S 1526 3.877 4.264 4.259 0.1835 1.2086 1.3329 13DPPE C216 1527 3.755 4.095 4.227 -0.3204 0.4527 -0.9475 13DPPE H16R 1528 3.793 4.071 4.125 1.1479 0.9113 -0.5196 13DPPE H16S 1529 3.664 4.159 4.218 -1.1291 -0.6755 -1.0929 13DPPE H16T 1530 3.718 4.003 4.278 0.8125 1.3446 1.6228 13DPPE C33 1531 3.764 4.010 5.720 0.0540 0.1396 0.3879 13DPPE H3X 1532 3.853 3.985 5.781 0.6278 -1.4974 -1.0563 13DPPE H3Y 1533 3.763 4.119 5.696 0.3136 0.1147 0.2621 13DPPE C34 1534 3.769 3.941 5.584 -0.1969 0.0585 0.4202 13DPPE H4X 1535 3.732 3.836 5.592 -0.2119 0.0904 0.7891 13DPPE H4Y 1536 3.877 3.935 5.559 0.7271 -0.5691 4.0446 13DPPE C35 1537 3.684 4.008 5.476 0.0344 -0.6517 -0.2082 13DPPE H5X 1538 3.687 4.118 5.487 -1.7360 -0.8141 3.0327 13DPPE H5Y 1539 3.577 3.982 5.487 -0.2379 0.3572 -0.3425 13DPPE C36 1540 3.725 3.954 5.338 0.6601 0.0735 -0.3159 13DPPE H6X 1541 3.834 3.968 5.322 1.2486 0.3425 3.1333 13DPPE H6Y 1542 3.678 4.016 5.258 0.5383 0.4307 0.0273 13DPPE C37 1543 3.676 3.810 5.322 -0.7298 0.5349 -0.3752 13DPPE H7X 1544 3.567 3.798 5.339 -0.4959 -1.0179 0.1417 13DPPE H7Y 1545 3.721 3.737 5.392 -2.5574 0.0973 0.3855 13DPPE C38 1546 3.700 3.770 5.176 0.4224 0.0867 -0.0769 13DPPE H8X 1547 3.803 3.785 5.138 -0.6635 -1.0870 -3.9804 13DPPE H8Y 1548 3.635 3.836 5.113 1.7159 0.9948 -0.5189 13DPPE C39 1549 3.644 3.637 5.125 0.0134 0.1989 0.0694 13DPPE H9X 1550 3.537 3.629 5.151 -0.0829 0.0326 -0.3565 13DPPE H9Y 1551 3.699 3.558 5.180 0.2901 0.3301 -0.0154 13DPPE C310 1552 3.650 3.611 4.974 0.1589 0.3605 0.0468 13DPPE H10X 1553 3.614 3.507 4.966 1.2051 -0.0156 0.1354 13DPPE H10Y 1554 3.756 3.603 4.943 0.3401 1.3244 0.3705 13DPPE C311 1555 3.563 3.700 4.884 -0.0128 0.0888 -0.0597 13DPPE H11X 1556 3.580 3.807 4.912 -1.6327 0.3858 -0.1401 13DPPE H11Y 1557 3.458 3.678 4.910 -0.8991 2.7795 -0.9728 13DPPE C312 1558 3.607 3.675 4.740 -0.2269 0.0345 -0.1155 13DPPE H12X 1559 3.593 3.566 4.731 -2.2903 0.1357 1.2486 13DPPE H12Y 1560 3.716 3.693 4.728 -0.6793 2.7179 -1.0872 13DPPE C313 1561 3.524 3.740 4.629 0.0628 -0.6141 -0.7185 13DPPE H13X 1562 3.432 3.785 4.671 -0.4016 -2.7469 0.6756 13DPPE H13Y 1563 3.481 3.662 4.563 -0.6069 -0.1147 -0.8929 13DPPE C314 1564 3.610 3.845 4.556 -0.2131 -0.1430 -0.3724 13DPPE H14X 1565 3.686 3.799 4.490 -0.8345 1.7335 -2.5474 13DPPE H14Y 1566 3.663 3.904 4.633 -0.1212 -2.3158 1.3526 13DPPE C315 1567 3.521 3.944 4.482 -0.3638 -0.3653 -0.4910 13DPPE H15X 1568 3.582 4.024 4.433 0.1284 -0.6621 -0.3656 13DPPE H15Y 1569 3.458 4.000 4.554 2.1991 0.8367 0.9447 13DPPE C316 1570 3.438 3.878 4.372 -0.6060 0.1317 -0.6118 13DPPE H16X 1571 3.417 3.948 4.288 0.6068 0.5389 -0.5937 13DPPE H16Y 1572 3.339 3.837 4.401 -1.1836 -0.2604 -2.9104 13DPPE H16Z 1573 3.501 3.791 4.345 -1.4200 -0.8662 0.5627 14DPPE N 1574 5.107 1.760 5.849 0.3727 0.1738 -0.3631 14DPPE HN1 1575 5.129 1.734 5.948 2.4005 -2.4847 -1.3831 14DPPE HN2 1576 5.122 1.689 5.774 -0.8235 -2.4395 1.6821 14DPPE HN3 1577 5.173 1.839 5.832 -0.4837 1.0589 0.3036 14DPPE C12 1578 4.969 1.820 5.840 0.2087 -0.1027 0.2387 14DPPE H12A 1579 4.976 1.884 5.749 3.2701 -1.6730 -0.7676 14DPPE H12B 1580 4.946 1.891 5.922 -1.7952 0.4377 -0.7209 14DPPE C11 1581 4.868 1.707 5.821 0.4648 -0.2838 -0.0528 14DPPE H11A 1582 4.886 1.670 5.718 -0.1006 4.9232 -2.3274 14DPPE H11B 1583 4.764 1.745 5.829 0.5898 -0.0054 0.2556 14DPPE P 1584 4.749 1.544 5.974 -0.4016 0.0344 0.2007 14DPPE O13 1585 4.671 1.635 6.061 -0.3804 -0.1048 0.3642 14DPPE O14 1586 4.786 1.411 6.028 0.1152 0.0342 -0.1486 14DPPE O11 1587 4.672 1.526 5.835 0.0081 -0.2870 0.0116 14DPPE O12 1588 4.884 1.619 5.932 -0.4362 0.3049 0.5618 14DPPE C1 1589 4.598 1.404 5.822 0.2360 -0.5099 0.7229 14DPPE HA 1590 4.508 1.430 5.762 0.4908 1.0691 0.9774 14DPPE HB 1591 4.556 1.367 5.918 0.1599 -2.6139 -0.0716 14DPPE C2 1592 4.689 1.309 5.741 -0.2473 -0.1998 -0.1994 14DPPE HS 1593 4.767 1.279 5.814 -0.4813 1.3204 0.7084 14DPPE O21 1594 4.747 1.375 5.628 -0.0200 -0.4097 -0.2056 14DPPE C21 1595 4.856 1.318 5.577 0.4269 0.0038 0.2638 14DPPE O22 1596 4.918 1.231 5.637 0.1852 -0.0943 0.3719 14DPPE C22 1597 4.897 1.387 5.448 -0.0806 -0.2435 -0.0353 14DPPE H2R 1598 4.964 1.474 5.467 0.5038 -0.0008 -2.7945 14DPPE H2S 1599 4.806 1.420 5.393 0.7110 1.2698 -0.5013 14DPPE C3 1600 4.612 1.185 5.691 -0.3579 -0.1804 -0.0796 14DPPE HX 1601 4.604 1.131 5.788 1.7242 -0.8562 -0.2167 14DPPE HY 1602 4.682 1.121 5.633 2.4105 1.3440 1.3133 14DPPE O31 1603 4.491 1.216 5.622 -0.4984 0.0483 0.2641 14DPPE C31 1604 4.502 1.229 5.489 0.2387 -0.0058 0.3147 14DPPE O32 1605 4.609 1.238 5.431 -0.0492 -0.2366 -0.2496 14DPPE C32 1606 4.365 1.230 5.423 0.3836 0.5576 0.0181 14DPPE H2X 1607 4.309 1.298 5.491 0.3602 -0.9119 1.5149 14DPPE H2Y 1608 4.321 1.129 5.436 -0.7515 1.0696 0.2798 14DPPE C23 1609 4.970 1.297 5.348 0.4708 0.5194 -0.3340 14DPPE H3R 1610 5.059 1.258 5.401 -2.1531 -1.2142 3.2015 14DPPE H3S 1611 5.012 1.364 5.270 0.8008 0.0545 -0.5569 14DPPE C24 1612 4.899 1.176 5.286 0.8025 0.1360 0.0334 14DPPE H4R 1613 4.797 1.217 5.273 0.9321 0.9070 1.2690 14DPPE H4S 1614 4.899 1.094 5.361 -1.0343 1.7592 1.9491 14DPPE C25 1615 4.957 1.135 5.151 -0.1405 -0.3687 -0.2245 14DPPE H5R 1616 5.061 1.102 5.173 -0.8321 -2.2047 0.5000 14DPPE H5S 1617 4.961 1.231 5.096 -1.3985 1.9496 3.3722 14DPPE C26 1618 4.890 1.023 5.071 -0.1221 -0.1569 -0.5379 14DPPE H6R 1619 4.863 0.939 5.138 -2.4983 -0.9046 -2.2661 14DPPE H6S 1620 4.977 0.992 5.010 1.4400 -0.0402 1.5327 14DPPE C27 1621 4.762 1.073 5.002 -0.3545 0.1021 0.0660 14DPPE H7R 1622 4.689 1.094 5.082 -0.8903 1.7510 -0.8022 14DPPE H7S 1623 4.738 0.985 4.939 3.9396 -0.8899 -0.5529 14DPPE C28 1624 4.782 1.199 4.918 -0.1371 0.1019 0.1147 14DPPE H8R 1625 4.869 1.192 4.850 0.1733 0.6837 0.4481 14DPPE H8S 1626 4.797 1.287 4.984 -0.4483 0.5174 -0.3616 14DPPE C29 1627 4.677 1.235 4.812 0.3860 -0.2939 -0.5420 14DPPE H9R 1628 4.577 1.240 4.859 -0.6540 0.2146 -2.6935 14DPPE H9S 1629 4.667 1.155 4.735 -1.7408 1.5785 -2.3796 14DPPE C210 1630 4.704 1.361 4.729 0.0255 -0.0681 -0.3191 14DPPE H10R 1631 4.782 1.342 4.652 -0.4593 1.5831 -1.2663 14DPPE H10S 1632 4.748 1.440 4.793 0.4705 -0.9749 0.5283 14DPPE C211 1633 4.576 1.408 4.658 -0.5991 -0.5913 0.4493 14DPPE H11R 1634 4.614 1.491 4.595 2.3284 -0.0134 2.7281 14DPPE H11S 1635 4.509 1.445 4.739 -1.1375 -1.4629 0.4190 14DPPE C212 1636 4.508 1.307 4.566 0.2534 -0.5483 -0.2401 14DPPE H12R 1637 4.413 1.341 4.519 -0.9226 -2.6557 0.4977 14DPPE H12S 1638 4.482 1.219 4.629 -0.8426 -0.6093 -0.7527 14DPPE C213 1639 4.596 1.248 4.456 0.3589 -0.5513 -0.1542 14DPPE H13R 1640 4.692 1.212 4.499 -0.7433 -2.5213 0.8016 14DPPE H13S 1641 4.627 1.334 4.393 -1.7792 0.9921 0.7847 14DPPE C214 1642 4.531 1.139 4.369 -0.2964 -0.4854 0.2491 14DPPE H14R 1643 4.435 1.183 4.333 0.3639 -0.6368 -1.8499 14DPPE H14S 1644 4.505 1.054 4.436 -4.5978 0.0850 -0.3902 14DPPE C215 1645 4.610 1.091 4.248 -0.5623 -0.4436 0.0584 14DPPE H15R 1646 4.704 1.035 4.270 0.9218 1.4825 -1.0360 14DPPE H15S 1647 4.652 1.170 4.182 -1.0120 -0.5159 -0.3230 14DPPE C216 1648 4.521 1.002 4.160 -0.5864 -0.0207 -0.3495 14DPPE H16R 1649 4.565 0.985 4.059 1.3254 0.4272 0.3516 14DPPE H16S 1650 4.416 1.035 4.147 -0.5901 1.3090 2.2814 14DPPE H16T 1651 4.528 0.902 4.209 1.2279 1.3436 2.4719 14DPPE C33 1652 4.372 1.281 5.279 -0.1270 -0.5852 -0.4173 14DPPE H3X 1653 4.449 1.220 5.228 0.6736 -0.6266 0.8025 14DPPE H3Y 1654 4.427 1.377 5.276 1.4422 -1.4355 0.1186 14DPPE C34 1655 4.237 1.265 5.208 -0.5215 -0.1900 0.2344 14DPPE H4X 1656 4.163 1.341 5.242 2.8350 3.4562 0.0792 14DPPE H4Y 1657 4.194 1.167 5.238 -0.1529 -1.0364 -1.8430 14DPPE C35 1658 4.260 1.298 5.060 -0.3679 -0.0036 0.2997 14DPPE H5X 1659 4.359 1.259 5.030 0.0113 -0.5493 2.1130 14DPPE H5Y 1660 4.269 1.409 5.055 -1.3127 0.0678 -0.0379 14DPPE C36 1661 4.134 1.260 4.983 -0.0891 0.0727 -0.1980 14DPPE H6X 1662 4.055 1.301 5.050 -0.2349 -0.0112 -0.3177 14DPPE H6Y 1663 4.130 1.149 4.976 0.0342 -0.1306 2.1678 14DPPE C37 1664 4.119 1.315 4.841 0.1557 0.4704 -0.0697 14DPPE H7X 1665 4.215 1.308 4.786 1.0147 -0.5939 1.4860 14DPPE H7Y 1666 4.091 1.422 4.849 1.5859 0.7918 1.1121 14DPPE C38 1667 3.999 1.281 4.753 0.1633 -0.0672 0.1258 14DPPE H8X 1668 3.910 1.300 4.816 0.2357 0.1301 0.1683 14DPPE H8Y 1669 4.007 1.170 4.742 1.0781 -0.1826 1.6915 14DPPE C39 1670 3.988 1.367 4.627 0.4492 0.9515 0.7883 14DPPE H9X 1671 3.960 1.472 4.647 0.9546 1.9874 -3.0787 14DPPE H9Y 1672 3.899 1.325 4.575 0.2622 -1.1126 2.6426 14DPPE C310 1673 4.117 1.362 4.544 -0.2248 0.0563 -0.2249 14DPPE H10X 1674 4.137 1.264 4.495 -0.7237 0.3065 -0.9504 14DPPE H10Y 1675 4.205 1.385 4.607 0.4375 3.6941 -2.2259 14DPPE C311 1676 4.125 1.467 4.433 -0.2206 -0.0956 -0.3681 14DPPE H11X 1677 4.045 1.451 4.357 0.1643 -1.4514 -0.5138 14DPPE H11Y 1678 4.223 1.464 4.381 0.4814 -0.3978 0.9405 14DPPE C312 1679 4.116 1.612 4.480 -0.2967 -0.0470 -0.5314 14DPPE H12X 1680 4.010 1.633 4.508 -0.0971 -1.5709 1.5978 14DPPE H12Y 1681 4.139 1.667 4.386 -2.8365 -0.2694 -1.3605 14DPPE C313 1682 4.207 1.645 4.598 0.0334 0.4864 -0.9329 14DPPE H13X 1683 4.311 1.615 4.572 0.2611 0.8936 -0.5180 14DPPE H13Y 1684 4.164 1.590 4.684 3.9210 0.4914 1.2673 14DPPE C314 1685 4.200 1.789 4.649 0.5975 0.2153 -0.0667 14DPPE H14X 1686 4.092 1.816 4.655 0.2740 0.1761 -3.5000 14DPPE H14Y 1687 4.239 1.855 4.568 0.6716 -0.0594 -0.2536 14DPPE C315 1688 4.283 1.823 4.773 0.2662 0.5846 0.0567 14DPPE H15X 1689 4.271 1.933 4.782 -0.1994 0.4130 2.3810 14DPPE H15Y 1690 4.391 1.799 4.765 -0.1357 -0.6849 -2.4123 14DPPE C316 1691 4.224 1.747 4.893 -0.2238 -0.2495 -0.7009 14DPPE H16X 1692 4.276 1.767 4.989 0.5600 1.6402 -1.4543 14DPPE H16Y 1693 4.219 1.637 4.875 -0.8261 -0.6361 1.6128 14DPPE H16Z 1694 4.118 1.776 4.908 -0.8276 -2.4003 -0.4409 15DPPE N 1695 3.247 0.919 5.862 0.7825 -0.2426 -0.2646 15DPPE HN1 1696 3.193 1.006 5.883 -0.8060 -0.5520 -2.5739 15DPPE HN2 1697 3.222 0.850 5.936 -0.5478 0.8651 0.3735 15DPPE HN3 1698 3.345 0.949 5.877 0.6052 2.2133 -2.9508 15DPPE C12 1699 3.232 0.853 5.727 0.0121 -0.1177 -0.2455 15DPPE H12A 1700 3.127 0.822 5.709 0.1659 0.4346 -2.3350 15DPPE H12B 1701 3.256 0.925 5.646 1.2873 -0.3243 -0.0730 15DPPE C11 1702 3.318 0.728 5.706 0.2483 0.0459 -0.2526 15DPPE H11A 1703 3.293 0.692 5.604 -2.6721 -0.5977 0.5914 15DPPE H11B 1704 3.284 0.648 5.775 -0.0545 -0.4560 -0.9729 15DPPE P 1705 3.560 0.654 5.756 -0.0586 0.1211 -0.1026 15DPPE O13 1706 3.512 0.587 5.879 -0.2794 0.3865 -0.0441 15DPPE O14 1707 3.694 0.716 5.767 0.0610 -0.1030 -0.2836 15DPPE O11 1708 3.546 0.560 5.627 0.6680 0.0203 -0.1172 15DPPE O12 1709 3.456 0.766 5.713 0.1846 0.2806 -0.2778 15DPPE C1 1710 3.624 0.441 5.634 0.3925 -0.1449 0.1522 15DPPE HA 1711 3.558 0.372 5.578 -1.0889 0.3888 1.1587 15DPPE HB 1712 3.636 0.411 5.741 0.8522 -0.5645 -0.0122 15DPPE C2 1713 3.757 0.455 5.559 0.1745 0.3095 -0.1503 15DPPE HS 1714 3.816 0.516 5.631 2.0453 -0.4975 -0.9271 15DPPE O21 1715 3.730 0.521 5.435 0.2351 0.4873 -0.0705 15DPPE C21 1716 3.821 0.611 5.397 0.3778 0.3395 -0.0847 15DPPE O22 1717 3.929 0.636 5.447 0.3524 -0.2439 0.2769 15DPPE C22 1718 3.770 0.691 5.277 0.2853 0.3461 -0.0416 15DPPE H2R 1719 3.840 0.770 5.241 -1.4777 2.2374 0.4880 15DPPE H2S 1720 3.669 0.733 5.297 0.6915 1.2805 0.0774 15DPPE C3 1721 3.824 0.317 5.544 0.0390 0.2166 0.1000 15DPPE HX 1722 3.924 0.335 5.499 0.3302 2.1408 1.3502 15DPPE HY 1723 3.757 0.264 5.473 -1.5926 2.0229 0.1870 15DPPE O31 1724 3.833 0.243 5.666 -0.0794 0.2648 0.1388 15DPPE C31 1725 3.925 0.281 5.754 -0.2303 0.2645 0.2972 15DPPE O32 1726 4.000 0.375 5.734 0.1175 -0.1368 -0.3043 15DPPE C32 1727 3.921 0.192 5.878 0.2551 -0.0903 0.0625 15DPPE H2X 1728 3.830 0.193 5.942 -1.0875 -1.6291 -1.6969 15DPPE H2Y 1729 3.987 0.235 5.956 -0.8692 1.1107 0.3884 15DPPE C23 1730 3.762 0.592 5.161 0.6547 0.2244 0.0339 15DPPE H3R 1731 3.681 0.518 5.178 -0.1286 1.0022 -0.2173 15DPPE H3S 1732 3.863 0.547 5.153 1.1356 0.6011 2.9869 15DPPE C24 1733 3.735 0.655 5.024 1.1731 -0.4833 -0.3977 15DPPE H4R 1734 3.820 0.716 4.986 2.2044 -1.3859 0.3779 15DPPE H4S 1735 3.644 0.717 5.038 -0.3938 -1.4257 -4.8839 15DPPE C25 1736 3.707 0.564 4.904 -0.0886 -0.1767 -0.3470 15DPPE H5R 1737 3.679 0.620 4.813 0.3927 2.2214 0.9138 15DPPE H5S 1738 3.617 0.500 4.916 0.5298 -1.0751 -0.3736 15DPPE C26 1739 3.826 0.470 4.882 0.0876 -0.0464 0.0315 15DPPE H6R 1740 3.772 0.384 4.838 -1.1539 1.6664 -2.0160 15DPPE H6S 1741 3.887 0.433 4.967 1.9680 0.3701 -1.0854 15DPPE C27 1742 3.930 0.542 4.795 -0.0892 -0.0928 -0.2191 15DPPE H7R 1743 4.027 0.489 4.788 -0.3279 -0.3327 -2.6824 15DPPE H7S 1744 3.960 0.634 4.851 1.0953 -0.4729 -0.2114 15DPPE C28 1745 3.897 0.586 4.652 0.4761 0.5657 -0.1557 15DPPE H8R 1746 3.976 0.655 4.616 1.3161 -0.0877 0.3909 15DPPE H8S 1747 3.796 0.633 4.646 0.1329 -0.2858 -5.0287 15DPPE C29 1748 3.878 0.464 4.561 -0.2402 -0.1149 0.8657 15DPPE H9R 1749 3.838 0.494 4.462 0.7055 -0.2128 0.4408 15DPPE H9S 1750 3.811 0.391 4.610 -0.6736 0.8729 1.7847 15DPPE C210 1751 4.000 0.380 4.522 -0.1132 0.3870 0.1398 15DPPE H10R 1752 3.977 0.291 4.460 2.5998 0.6715 -1.4142 15DPPE H10S 1753 4.022 0.335 4.622 -0.4009 -1.6485 -0.6680 15DPPE C211 1754 4.122 0.453 4.466 0.3567 -0.5881 -0.1356 15DPPE H11R 1755 4.197 0.376 4.439 2.4571 0.8794 1.1690 15DPPE H11S 1756 4.167 0.523 4.540 -2.6180 -0.6648 1.9278 15DPPE C212 1757 4.091 0.517 4.331 0.4515 0.5897 0.3867 15DPPE H12R 1758 4.022 0.602 4.350 -1.2282 -1.1219 2.4254 15DPPE H12S 1759 4.040 0.444 4.264 2.1956 0.5129 -0.9229 15DPPE C213 1760 4.217 0.567 4.261 0.6341 0.0342 0.3188 15DPPE H13R 1761 4.304 0.497 4.258 0.7925 0.2117 0.7546 15DPPE H13S 1762 4.232 0.662 4.316 0.6232 0.8508 -1.0392 15DPPE C214 1763 4.192 0.612 4.117 -0.2067 0.0946 0.4796 15DPPE H14R 1764 4.089 0.654 4.116 -0.6064 -0.7795 1.9345 15DPPE H14S 1765 4.194 0.530 4.043 0.6352 1.1225 -0.6767 15DPPE C215 1766 4.303 0.702 4.061 -0.7924 0.9162 0.6218 15DPPE H15R 1767 4.389 0.636 4.038 -0.6352 0.7984 1.5252 15DPPE H15S 1768 4.337 0.765 4.146 0.9866 1.5589 -0.5151 15DPPE C216 1769 4.264 0.783 3.937 0.1507 -0.2076 -0.4305 15DPPE H16R 1770 4.202 0.721 3.868 0.3260 -1.4554 0.4969 15DPPE H16S 1771 4.354 0.804 3.875 0.7719 1.1742 0.8873 15DPPE H16T 1772 4.211 0.873 3.974 -0.5121 -0.5875 -0.4470 15DPPE C33 1773 3.959 0.047 5.847 0.1266 -0.0354 -0.3687 15DPPE H3X 1774 4.012 -0.004 5.930 -0.7169 0.7349 0.6817 15DPPE H3Y 1775 4.033 0.043 5.765 1.0928 -2.4064 0.5232 15DPPE C34 1776 3.842 -0.047 5.817 -0.0921 -0.0266 0.4118 15DPPE H4X 1777 3.757 0.017 5.783 0.6512 1.1669 0.7449 15DPPE H4Y 1778 3.808 -0.098 5.909 1.2184 1.4162 1.7507 15DPPE C35 1779 3.880 -0.155 5.716 0.0775 0.4319 -0.0188 15DPPE H5X 1780 3.822 -0.250 5.716 -0.7127 0.8345 2.5930 15DPPE H5Y 1781 3.986 -0.183 5.738 -0.5805 -1.5116 0.9098 15DPPE C36 1782 3.878 -0.098 5.574 0.2983 -0.3305 -0.3367 15DPPE H6X 1783 3.940 -0.008 5.556 -1.3488 1.0641 0.5728 15DPPE H6Y 1784 3.772 -0.074 5.550 0.0272 -2.1020 -1.0968 15DPPE C37 1785 3.909 -0.200 5.465 0.0455 -0.4058 -0.3405 15DPPE H7X 1786 3.855 -0.171 5.372 -0.3034 -0.8932 -0.2930 15DPPE H7Y 1787 3.875 -0.299 5.502 0.3734 -0.1625 0.6209 15DPPE C38 1788 4.060 -0.198 5.437 0.0492 0.4625 -0.2850 15DPPE H8X 1789 4.119 -0.254 5.512 -1.5835 -3.0349 -1.3763 15DPPE H8Y 1790 4.088 -0.091 5.439 3.1935 -0.2677 1.4329 15DPPE C39 1791 4.075 -0.268 5.302 -0.4167 -0.0926 -0.0568 15DPPE H9X 1792 4.184 -0.277 5.280 -0.8802 -0.8737 -2.2938 15DPPE H9Y 1793 4.014 -0.231 5.217 -0.5688 -1.3490 -0.5226 15DPPE C310 1794 4.025 -0.412 5.291 -0.2547 -0.1206 -0.4463 15DPPE H10X 1795 3.915 -0.406 5.291 -0.1974 1.3189 0.2107 15DPPE H10Y 1796 4.060 -0.482 5.370 -1.9854 0.9422 1.3528 15DPPE C311 1797 4.061 -0.483 5.160 -0.2819 0.1832 -0.6168 15DPPE H11X 1798 4.047 -0.416 5.072 0.0446 -0.5788 -1.2577 15DPPE H11Y 1799 3.995 -0.571 5.145 -0.1218 0.1435 -1.1417 15DPPE C312 1800 4.209 -0.518 5.149 -0.2661 -0.1151 0.4678 15DPPE H12X 1801 4.245 -0.550 5.249 1.1379 -0.7179 -0.2028 15DPPE H12Y 1802 4.275 -0.434 5.119 -0.4452 -0.6654 -1.6887 15DPPE C313 1803 4.243 -0.621 5.040 -0.3783 -0.2910 0.5984 15DPPE H13X 1804 4.205 -0.724 5.056 -0.0890 -0.7616 -1.4443 15DPPE H13Y 1805 4.354 -0.626 5.044 0.0077 4.0550 0.8797 15DPPE C314 1806 4.198 -0.578 4.900 0.5708 -0.2025 0.3106 15DPPE H14X 1807 4.188 -0.468 4.891 -1.1613 -0.1771 1.8364 15DPPE H14Y 1808 4.100 -0.626 4.879 0.6511 -0.2053 -0.0486 15DPPE C315 1809 4.302 -0.617 4.795 -0.1697 -0.5374 -0.3084 15DPPE H15X 1810 4.251 -0.614 4.696 0.9374 0.0485 -0.8783 15DPPE H15Y 1811 4.343 -0.717 4.822 0.5567 -0.2528 -0.3327 15DPPE C316 1812 4.419 -0.520 4.780 -0.4580 -0.1017 0.2261 15DPPE H16X 1813 4.440 -0.483 4.883 -2.4986 -1.3236 1.1374 15DPPE H16Y 1814 4.505 -0.575 4.738 -0.1784 -0.2124 0.9259 15DPPE H16Z 1815 4.391 -0.441 4.706 -1.3531 -1.5974 -1.0793 16DPPE N 1816 2.159 5.686 6.349 0.2928 0.2785 -0.6247 16DPPE HN1 1817 2.158 5.707 6.247 1.5895 1.9302 -0.3429 16DPPE HN2 1818 2.066 5.643 6.369 1.2292 -1.6419 -0.2098 16DPPE HN3 1819 2.161 5.776 6.401 1.1360 -0.4056 0.5741 16DPPE C12 1820 2.271 5.595 6.393 0.1559 0.4545 0.1000 16DPPE H12A 1821 2.258 5.499 6.339 0.2647 -0.1256 1.0704 16DPPE H12B 1822 2.265 5.571 6.501 1.0883 0.3423 0.1362 16DPPE C11 1823 2.412 5.645 6.363 0.3759 -0.2814 -0.1163 16DPPE H11A 1824 2.484 5.562 6.378 0.1944 -0.2537 1.0275 16DPPE H11B 1825 2.436 5.736 6.423 0.1096 0.1364 -0.6359 16DPPE P 1826 2.555 5.749 6.185 0.2745 -0.2807 0.3387 16DPPE O13 1827 2.647 5.634 6.168 -0.3278 -0.6865 -0.2456 16DPPE O14 1828 2.586 5.849 6.289 0.3889 -0.0187 0.0550 16DPPE O11 1829 2.535 5.814 6.040 -0.7190 -0.8142 0.2254 16DPPE O12 1830 2.412 5.691 6.228 0.1847 -0.4380 -0.1686 16DPPE C1 1831 2.463 5.937 6.036 0.1592 -0.3150 -0.4829 16DPPE HA 1832 2.500 5.993 5.947 -0.5628 1.0909 0.0729 16DPPE HB 1833 2.481 5.996 6.129 -0.4927 -1.5184 0.4247 16DPPE C2 1834 2.311 5.922 6.018 0.0379 -0.2852 0.4598 16DPPE HS 1835 2.289 5.903 6.125 0.0808 -1.5186 0.2691 16DPPE O21 1836 2.288 5.821 5.919 0.1348 -0.2364 0.3872 16DPPE C21 1837 2.203 5.731 5.970 -0.1437 -0.1957 -0.0055 16DPPE O22 1838 2.180 5.725 6.089 0.1620 0.5027 0.0977 16DPPE C22 1839 2.147 5.634 5.867 -0.0287 0.2315 -0.4802 16DPPE H2R 1840 2.112 5.547 5.927 1.3371 -0.0716 -0.1078 16DPPE H2S 1841 2.217 5.599 5.789 1.3747 -2.9396 1.9819 16DPPE C3 1842 2.252 6.060 5.989 0.3080 -0.1931 0.3401 16DPPE HX 1843 2.293 6.126 6.069 -0.6428 -0.9381 1.4703 16DPPE HY 1844 2.141 6.057 6.002 0.3161 -0.2673 0.3894 16DPPE O31 1845 2.295 6.117 5.865 -0.1353 -0.1080 0.2210 16DPPE C31 1846 2.203 6.101 5.769 -0.2526 -0.2425 0.3555 16DPPE O32 1847 2.089 6.062 5.787 -0.3854 -0.1504 -0.2510 16DPPE C32 1848 2.259 6.143 5.634 -0.0276 -0.3526 0.4135 16DPPE H2X 1849 2.355 6.091 5.615 0.6610 1.2713 -0.6907 16DPPE H2Y 1850 2.282 6.251 5.630 -1.5646 -0.0305 -1.1851 16DPPE C23 1851 2.027 5.708 5.806 0.0347 0.2804 -0.5449 16DPPE H3R 1852 2.060 5.794 5.744 0.0927 -1.2056 -2.6973 16DPPE H3S 1853 1.962 5.752 5.884 0.1851 0.2841 -0.4213 16DPPE C24 1854 1.946 5.616 5.715 -0.9585 -0.2857 0.8871 16DPPE H4R 1855 1.858 5.679 5.688 -0.3082 0.4502 0.4641 16DPPE H4S 1856 1.926 5.520 5.769 1.5667 -0.4915 1.5545 16DPPE C25 1857 2.017 5.571 5.587 -0.7689 0.9211 0.5611 16DPPE H5R 1858 1.963 5.488 5.537 1.5667 -0.0615 -0.4886 16DPPE H5S 1859 2.117 5.530 5.613 -1.9827 -1.7740 1.2981 16DPPE C26 1860 2.043 5.679 5.482 -0.1111 0.1644 -0.0679 16DPPE H6R 1861 2.053 5.774 5.539 0.3229 0.9661 -1.4366 16DPPE H6S 1862 1.948 5.685 5.425 -0.7216 -2.4802 0.5583 16DPPE C27 1863 2.167 5.658 5.395 0.0486 0.1527 0.1597 16DPPE H7R 1864 2.144 5.703 5.296 0.0396 2.0519 0.9959 16DPPE H7S 1865 2.187 5.549 5.380 -1.3149 -0.4361 2.1778 16DPPE C28 1866 2.289 5.716 5.465 0.1174 -0.3117 0.4319 16DPPE H8R 1867 2.315 5.661 5.558 1.2799 -1.7952 -0.7253 16DPPE H8S 1868 2.276 5.821 5.501 1.0848 -0.1037 0.2057 16DPPE C29 1869 2.409 5.700 5.371 -0.3380 0.5232 -0.3072 16DPPE H9R 1870 2.377 5.731 5.269 0.0558 2.2937 0.0682 16DPPE H9S 1871 2.442 5.594 5.372 -2.2372 -0.1441 -1.8672 16DPPE C210 1872 2.523 5.791 5.416 -0.0096 0.1638 -0.4115 16DPPE H10R 1873 2.571 5.756 5.510 0.6317 2.0927 0.0328 16DPPE H10S 1874 2.470 5.879 5.458 0.5765 -0.6712 2.2631 16DPPE C211 1875 2.620 5.828 5.303 0.4813 0.2164 0.0194 16DPPE H11R 1876 2.669 5.922 5.337 1.7738 -1.3258 2.7211 16DPPE H11S 1877 2.553 5.850 5.217 0.1937 -0.3214 0.1020 16DPPE C212 1878 2.731 5.725 5.281 0.2940 -0.0724 0.4135 16DPPE H12R 1879 2.677 5.628 5.280 -0.6422 0.4358 -0.4821 16DPPE H12S 1880 2.797 5.732 5.371 0.1624 -0.6656 0.5557 16DPPE C213 1881 2.797 5.731 5.144 0.2103 -0.0993 0.3721 16DPPE H13R 1882 2.843 5.631 5.132 -2.7111 -1.4674 -0.1646 16DPPE H13S 1883 2.873 5.813 5.138 -0.9779 1.2710 2.6046 16DPPE C214 1884 2.693 5.732 5.032 0.3834 -0.4809 0.2044 16DPPE H14R 1885 2.666 5.838 5.010 -0.0855 -0.6755 -0.1774 16DPPE H14S 1886 2.611 5.658 5.042 1.2906 -1.3338 1.4731 16DPPE C215 1887 2.743 5.690 4.894 0.4993 0.0275 0.0870 16DPPE H15R 1888 2.658 5.705 4.824 0.9821 1.7411 -0.1810 16DPPE H15S 1889 2.770 5.582 4.897 3.5948 0.6860 -0.9436 16DPPE C216 1890 2.857 5.764 4.825 0.3615 -0.1183 -0.3034 16DPPE H16R 1891 2.876 5.717 4.726 -0.0693 0.6927 -0.7852 16DPPE H16S 1892 2.949 5.763 4.887 1.4653 -0.9028 -1.8890 16DPPE H16T 1893 2.823 5.869 4.809 -0.4567 -0.5905 -1.9077 16DPPE C33 1894 2.159 6.117 5.521 0.6632 -0.7676 -0.1126 16DPPE H3X 1895 2.076 6.189 5.538 1.5903 0.1495 0.5873 16DPPE H3Y 1896 2.112 6.017 5.532 -2.1587 0.4393 -0.1692 16DPPE C34 1897 2.218 6.130 5.381 -0.0377 0.7611 -0.2850 16DPPE H4X 1898 2.276 6.037 5.364 -1.6065 -0.1822 -0.7078 16DPPE H4Y 1899 2.268 6.227 5.361 -0.2370 0.5154 -2.2637 16DPPE C35 1900 2.101 6.122 5.283 -0.0847 -0.1528 -0.1591 16DPPE H5X 1901 2.024 6.194 5.319 -0.5204 0.1387 -1.6174 16DPPE H5Y 1902 2.043 6.027 5.291 0.5214 -0.5673 -0.5325 16DPPE C36 1903 2.144 6.166 5.143 -0.1494 -0.3527 -0.2433 16DPPE H6X 1904 2.236 6.110 5.118 0.1875 0.4488 -0.8390 16DPPE H6Y 1905 2.169 6.274 5.132 -3.0547 0.3510 -0.9888 16DPPE C37 1906 2.029 6.128 5.049 -0.2987 0.0186 -0.2131 16DPPE H7X 1907 1.998 6.225 5.006 0.2912 1.4725 2.4014 16DPPE H7Y 1908 1.937 6.097 5.104 0.3953 0.1506 1.0771 16DPPE C38 1909 2.071 6.028 4.941 0.2461 0.2285 -0.1968 16DPPE H8X 1910 2.163 6.058 4.885 -0.4626 3.0721 -0.0248 16DPPE H8Y 1911 1.995 6.015 4.862 -1.1579 -0.5234 1.2305 16DPPE C39 1912 2.078 5.886 4.997 0.1910 0.4433 0.3554 16DPPE H9X 1913 1.978 5.839 5.007 -0.2525 1.5391 1.4353 16DPPE H9Y 1914 2.128 5.878 5.096 0.7123 -0.9549 -0.0144 16DPPE C310 1915 2.162 5.800 4.904 -0.5939 0.0467 0.0018 16DPPE H10X 1916 2.154 5.700 4.952 0.9609 0.8482 2.1168 16DPPE H10Y 1917 2.267 5.835 4.918 -1.0393 0.7049 1.9976 16DPPE C311 1918 2.121 5.809 4.757 -0.0173 -0.0216 -0.1655 16DPPE H11X 1919 2.157 5.907 4.720 1.4526 -0.6299 -0.4400 16DPPE H11Y 1920 2.011 5.795 4.751 -0.0091 -0.8024 1.0941 16DPPE C312 1921 2.188 5.701 4.671 -0.3447 -0.2124 -0.1810 16DPPE H12X 1922 2.173 5.596 4.702 -1.0425 0.5948 2.4800 16DPPE H12Y 1923 2.296 5.725 4.678 -0.7571 1.4350 1.7236 16DPPE C313 1924 2.145 5.705 4.524 -0.0886 -0.2874 -0.2569 16DPPE H13X 1925 2.190 5.798 4.484 -0.1000 -0.1655 0.0078 16DPPE H13Y 1926 2.035 5.712 4.532 -0.1801 -0.1621 -1.4296 16DPPE C314 1927 2.179 5.573 4.454 0.0114 -0.3626 -0.0683 16DPPE H14X 1928 2.147 5.488 4.517 1.9818 -1.6221 -0.6630 16DPPE H14Y 1929 2.290 5.562 4.451 0.1621 0.9845 -0.1151 16DPPE C315 1930 2.134 5.549 4.310 -0.1425 -0.0369 -0.0756 16DPPE H15X 1931 2.159 5.448 4.271 -0.8129 0.1025 -0.9096 16DPPE H15Y 1932 2.180 5.629 4.248 1.2253 0.4061 1.4604 16DPPE C316 1933 1.982 5.554 4.295 -0.1582 -0.2383 0.0088 16DPPE H16X 1934 1.939 5.653 4.324 0.4807 0.3950 -1.1532 16DPPE H16Y 1935 1.939 5.480 4.366 -0.8995 0.6206 0.4730 16DPPE H16Z 1936 1.953 5.511 4.197 -2.0449 1.6698 -0.3594 17DPPE N 1937 5.210 3.072 6.670 0.2371 0.0425 0.2163 17DPPE HN1 1938 5.283 3.132 6.711 2.2454 -0.7820 -1.9155 17DPPE HN2 1939 5.121 3.124 6.681 1.3351 2.0653 -0.0221 17DPPE HN3 1940 5.209 2.989 6.733 2.0146 -0.1717 0.0133 17DPPE C12 1941 5.254 3.029 6.532 0.0023 -0.2688 0.2349 17DPPE H12A 1942 5.270 3.122 6.472 1.0861 -1.3991 -1.3081 17DPPE H12B 1943 5.351 2.975 6.539 1.0682 1.4153 -0.6973 17DPPE C11 1944 5.153 2.938 6.464 0.4470 -0.3446 -0.3332 17DPPE H11A 1945 5.192 2.906 6.365 1.4809 -2.0468 0.5668 17DPPE H11B 1946 5.061 2.998 6.447 -0.3417 -0.7560 2.1386 17DPPE P 1947 4.984 2.763 6.534 0.2821 -0.1703 0.0494 17DPPE O13 1948 4.897 2.860 6.603 -0.0041 -0.5389 0.2073 17DPPE O14 1949 4.991 2.625 6.588 -0.3581 -0.3326 -0.2829 17DPPE O11 1950 4.957 2.760 6.377 0.5948 -0.0494 -0.0071 17DPPE O12 1951 5.134 2.819 6.541 0.1039 0.2517 0.5103 17DPPE C1 1952 5.030 2.655 6.313 0.2663 -0.2688 -0.0199 17DPPE HA 1953 4.971 2.561 6.324 -1.9362 1.2081 1.4870 17DPPE HB 1954 5.132 2.652 6.357 0.3799 2.0452 -0.0089 17DPPE C2 1955 5.046 2.678 6.162 0.1553 -0.2931 -0.0354 17DPPE HS 1956 5.123 2.758 6.168 0.6132 -0.5837 -1.5813 17DPPE O21 1957 4.919 2.722 6.112 0.0563 -0.1404 0.3501 17DPPE C21 1958 4.934 2.831 6.037 0.0195 -0.9537 -0.8643 17DPPE O22 1959 5.037 2.890 6.010 0.0367 -0.3442 0.4697 17DPPE C22 1960 4.793 2.881 6.006 0.1283 -0.5262 -0.6806 17DPPE H2R 1961 4.753 2.919 6.102 -2.1806 2.8260 -2.7691 17DPPE H2S 1962 4.722 2.802 5.974 -0.0075 -0.0782 -1.5099 17DPPE C3 1963 5.097 2.555 6.085 0.0429 -0.3030 -0.0948 17DPPE HX 1964 5.044 2.458 6.097 1.9095 -1.1939 1.5021 17DPPE HY 1965 5.193 2.525 6.132 -0.2508 -0.0625 0.6827 17DPPE O31 1966 5.098 2.581 5.944 0.0591 -0.5119 -0.1343 17DPPE C31 1967 5.223 2.596 5.901 0.1452 -0.3388 0.1711 17DPPE O32 1968 5.325 2.594 5.968 0.0415 0.6475 0.3852 17DPPE C32 1969 5.228 2.613 5.750 0.0691 0.2362 0.2291 17DPPE H2X 1970 5.147 2.559 5.696 1.4956 0.0129 -1.8036 17DPPE H2Y 1971 5.327 2.574 5.718 1.3280 3.8513 -0.7192 17DPPE C23 1972 4.799 2.997 5.907 -0.0778 0.0162 -0.0625 17DPPE H3R 1973 4.877 2.970 5.833 -0.2938 0.9242 -0.6367 17DPPE H3S 1974 4.846 3.076 5.969 -1.6368 -0.2176 1.5008 17DPPE C24 1975 4.667 3.057 5.858 -0.1846 -0.3612 -0.2431 17DPPE H4R 1976 4.677 3.167 5.841 -1.3140 -0.4311 -1.5692 17DPPE H4S 1977 4.609 3.034 5.949 2.6381 0.8848 2.0165 17DPPE C25 1978 4.613 2.986 5.733 0.4719 -0.1321 -0.6677 17DPPE H5R 1979 4.511 3.022 5.708 -0.8006 -3.0027 -0.0953 17DPPE H5S 1980 4.596 2.878 5.751 1.3759 -0.0704 0.7167 17DPPE C26 1981 4.701 3.026 5.615 0.6549 -0.2676 -0.5783 17DPPE H6R 1982 4.802 2.993 5.650 2.1741 3.3303 -1.1538 17DPPE H6S 1983 4.705 3.134 5.589 0.1545 0.7556 2.9955 17DPPE C27 1984 4.686 2.947 5.485 -1.2830 -0.5321 -0.2205 17DPPE H7R 1985 4.665 2.842 5.514 0.9497 -0.6446 1.2373 17DPPE H7S 1986 4.775 2.956 5.419 -0.0605 1.7269 1.5814 17DPPE C28 1987 4.566 2.996 5.404 -1.1664 0.2593 0.0831 17DPPE H8R 1988 4.593 3.091 5.353 -2.5409 -1.0415 -3.3361 17DPPE H8S 1989 4.495 3.018 5.488 0.3938 3.1386 0.7978 17DPPE C29 1990 4.504 2.896 5.307 -0.3420 -0.4635 0.2968 17DPPE H9R 1991 4.467 2.809 5.366 -2.4938 0.2242 0.0443 17DPPE H9S 1992 4.591 2.859 5.248 -0.5577 1.9865 -1.6897 17DPPE C210 1993 4.399 2.955 5.213 -0.0655 0.3208 0.4761 17DPPE H10R 1994 4.352 2.878 5.149 -1.6753 1.3906 0.3186 17DPPE H10S 1995 4.456 3.025 5.147 2.9963 -0.9886 1.5461 17DPPE C211 1996 4.280 3.033 5.271 -0.4102 0.4868 -0.4403 17DPPE H11R 1997 4.211 3.066 5.191 -1.0914 1.3353 0.4891 17DPPE H11S 1998 4.318 3.123 5.323 -1.2526 1.8452 -2.0556 17DPPE C212 1999 4.203 2.955 5.377 -0.4239 0.0740 -0.7498 17DPPE H12R 2000 4.275 2.920 5.454 -0.3775 -0.8229 -1.1810 17DPPE H12S 2001 4.158 2.870 5.320 1.3036 -0.2003 -1.7850 17DPPE C213 2002 4.082 3.020 5.445 0.0708 0.1280 0.0888 17DPPE H13R 2003 4.024 2.941 5.496 0.3515 0.1126 0.3883 17DPPE H13S 2004 4.019 3.047 5.357 3.4875 -1.0994 -3.0164 17DPPE C214 2005 4.100 3.152 5.521 -0.9992 0.3405 -0.0116 17DPPE H14R 2006 4.001 3.166 5.569 0.0611 -0.5863 2.6494 17DPPE H14S 2007 4.128 3.238 5.457 4.1744 -0.6432 0.4980 17DPPE C215 2008 4.194 3.143 5.642 -0.6024 0.3662 -0.3170 17DPPE H15R 2009 4.290 3.132 5.588 -0.8695 1.6504 -1.1268 17DPPE H15S 2010 4.176 3.046 5.691 1.7234 -0.4596 -0.9712 17DPPE C216 2011 4.177 3.261 5.738 -0.2494 0.0165 0.1784 17DPPE H16R 2012 4.083 3.250 5.796 0.4200 -1.1282 1.0943 17DPPE H16S 2013 4.160 3.356 5.683 1.5624 -0.1544 -0.7633 17DPPE H16T 2014 4.260 3.269 5.811 0.6314 -0.4642 -0.7475 17DPPE C33 2015 5.231 2.763 5.723 0.1889 0.2325 0.2229 17DPPE H3X 2016 5.329 2.800 5.761 -0.8663 4.2579 -0.4309 17DPPE H3Y 2017 5.152 2.811 5.785 -1.4957 -1.6181 -0.3904 17DPPE C34 2018 5.216 2.812 5.578 0.1241 0.2527 0.2364 17DPPE H4X 2019 5.222 2.923 5.569 3.5986 0.1798 0.3091 17DPPE H4Y 2020 5.114 2.778 5.550 0.6283 -2.0337 0.9506 17DPPE C35 2021 5.314 2.741 5.484 -0.5084 0.1966 -0.3869 17DPPE H5X 2022 5.317 2.632 5.503 0.2203 0.1712 -0.6405 17DPPE H5Y 2023 5.416 2.777 5.510 -1.1436 1.4178 0.5652 17DPPE C36 2024 5.284 2.766 5.336 -0.4306 0.6229 -0.3333 17DPPE H6X 2025 5.306 2.872 5.313 -0.0680 -0.1142 -3.9996 17DPPE H6Y 2026 5.175 2.746 5.325 -0.0632 -0.1834 -3.4264 17DPPE C37 2027 5.335 2.670 5.228 -0.9493 0.1708 -0.1811 17DPPE H7X 2028 5.439 2.655 5.264 -1.4025 0.5511 1.3892 17DPPE H7Y 2029 5.336 2.716 5.127 -1.8111 0.3176 -0.1327 17DPPE C38 2030 5.264 2.536 5.206 -0.3123 -0.1375 -0.3962 17DPPE H8X 2031 5.177 2.560 5.142 0.6795 -1.5815 -2.3885 17DPPE H8Y 2032 5.226 2.502 5.305 1.4145 0.4872 0.5198 17DPPE C39 2033 5.356 2.425 5.156 0.6855 0.3591 0.3092 17DPPE H9X 2034 5.289 2.339 5.173 1.2336 -0.3838 -1.0995 17DPPE H9Y 2035 5.444 2.411 5.222 0.0943 -1.3937 0.7517 17DPPE C310 2036 5.388 2.430 5.006 0.3459 -0.7584 0.1973 17DPPE H10X 2037 5.472 2.500 4.989 -0.2094 0.5647 2.4827 17DPPE H10Y 2038 5.292 2.463 4.961 0.1966 -0.3084 0.8380 17DPPE C311 2039 5.432 2.296 4.946 -0.0929 -0.5921 -0.5078 17DPPE H11X 2040 5.364 2.212 4.969 1.2267 -1.3098 1.0056 17DPPE H11Y 2041 5.526 2.263 4.995 0.2905 -0.8876 -1.4153 17DPPE C312 2042 5.451 2.301 4.794 0.1575 -0.3657 -0.4715 17DPPE H12X 2043 5.529 2.377 4.775 -0.0165 -0.3822 -1.2727 17DPPE H12Y 2044 5.358 2.320 4.737 0.7342 -0.7338 -1.5585 17DPPE C313 2045 5.511 2.176 4.729 -0.0136 -0.8670 0.3150 17DPPE H13X 2046 5.436 2.094 4.731 -1.8645 0.6945 -1.0832 17DPPE H13Y 2047 5.599 2.162 4.795 -1.0650 -0.6119 1.8196 17DPPE C314 2048 5.554 2.185 4.582 0.3100 0.5317 0.4847 17DPPE H14X 2049 5.609 2.277 4.555 -1.2357 1.2803 -0.2699 17DPPE H14Y 2050 5.460 2.169 4.525 0.6445 0.8075 -0.1570 17DPPE C315 2051 5.629 2.055 4.553 -0.0153 0.5555 -0.4799 17DPPE H15X 2052 5.587 1.962 4.596 -0.2508 1.6742 1.8885 17DPPE H15Y 2053 5.733 2.068 4.589 -0.1478 -0.8275 0.4582 17DPPE C316 2054 5.649 2.039 4.402 0.4228 0.1217 -0.3744 17DPPE H16X 2055 5.727 1.961 4.384 0.3557 -0.4713 1.6392 17DPPE H16Y 2056 5.696 2.131 4.363 -0.2523 0.3297 -0.7121 17DPPE H16Z 2057 5.552 2.020 4.351 -1.1435 0.2423 2.3600 18DPPE N 2058 1.045 2.050 6.360 0.2569 -0.3246 0.1811 18DPPE HN1 2059 1.015 2.121 6.429 1.3265 0.0275 0.3024 18DPPE HN2 2060 0.985 1.967 6.377 1.0526 -1.2021 -1.0768 18DPPE HN3 2061 1.145 2.022 6.369 0.2767 -0.4709 -0.4321 18DPPE C12 2062 1.020 2.106 6.222 0.5133 -0.8142 -0.0676 18DPPE H12A 2063 0.996 2.017 6.159 -1.9542 1.5707 -2.7455 18DPPE H12B 2064 0.924 2.160 6.224 0.0512 -1.4621 -2.3153 18DPPE C11 2065 1.138 2.184 6.163 0.1807 0.1021 0.4662 18DPPE H11A 2066 1.100 2.242 6.076 -0.3313 -1.4409 -0.3754 18DPPE H11B 2067 1.221 2.120 6.127 -1.3661 -1.3983 -0.5733 18DPPE P 2068 1.166 2.429 6.264 -0.0945 0.3063 0.1156 18DPPE O13 2069 1.201 2.485 6.397 0.5446 0.2813 -0.0375 18DPPE O14 2070 1.031 2.455 6.209 0.1633 1.2044 -0.1099 18DPPE O11 2071 1.269 2.486 6.156 0.1891 -0.4995 -0.0476 18DPPE O12 2072 1.191 2.271 6.263 0.2545 0.3601 0.2044 18DPPE C1 2073 1.323 2.619 6.158 -0.1486 -0.3582 -0.2196 18DPPE HA 2074 1.431 2.616 6.131 -0.1055 -2.1413 0.0541 18DPPE HB 2075 1.317 2.665 6.259 0.6558 -1.0797 0.1725 18DPPE C2 2076 1.250 2.718 6.065 -0.1038 -0.0824 0.0385 18DPPE HS 2077 1.145 2.696 6.092 0.0664 0.1944 0.9424 18DPPE O21 2078 1.285 2.694 5.928 0.1103 0.3694 0.0102 18DPPE C21 2079 1.171 2.697 5.858 0.0817 0.3111 0.0532 18DPPE O22 2080 1.063 2.734 5.900 -0.3137 -0.4317 -0.2882 18DPPE C22 2081 1.193 2.652 5.714 0.2050 0.1432 0.1243 18DPPE H2R 2082 1.200 2.541 5.719 1.0101 0.1927 0.2209 18DPPE H2S 2083 1.293 2.694 5.689 1.7522 -0.3161 4.5910 18DPPE C3 2084 1.293 2.858 6.113 -0.1639 0.0242 -0.2198 18DPPE HX 2085 1.403 2.857 6.100 -0.2449 0.9343 -1.1047 18DPPE HY 2086 1.278 2.881 6.220 3.3063 3.5330 -0.2886 18DPPE O31 2087 1.238 2.959 6.027 -0.0975 0.0212 -0.2664 18DPPE C31 2088 1.109 2.986 6.048 0.0836 0.6625 0.0211 18DPPE O32 2089 1.046 2.933 6.138 0.5189 -0.5047 -0.3403 18DPPE C32 2090 1.061 3.092 5.950 -0.0737 0.4385 -0.1431 18DPPE H2X 2091 1.141 3.112 5.876 1.6590 -0.9235 1.2581 18DPPE H2Y 2092 1.031 3.189 5.995 -2.1842 0.3095 -1.1404 18DPPE C23 2093 1.092 2.708 5.614 -0.0637 -0.0779 0.2720 18DPPE H3R 2094 1.011 2.758 5.671 2.8074 1.3851 3.4044 18DPPE H3S 2095 1.039 2.621 5.569 -0.0033 0.5771 -1.1313 18DPPE C24 2096 1.156 2.804 5.514 -0.2046 0.0140 0.2689 18DPPE H4R 2097 1.202 2.893 5.562 -0.0644 0.3413 -0.4572 18DPPE H4S 2098 1.080 2.843 5.444 -1.4940 -1.7562 0.6320 18DPPE C25 2099 1.259 2.738 5.421 -0.7170 -0.0824 -0.2308 18DPPE H5R 2100 1.344 2.724 5.490 0.1884 1.0706 -1.0677 18DPPE H5S 2101 1.294 2.798 5.335 -0.3033 -2.0551 -1.4966 18DPPE C26 2102 1.220 2.601 5.365 -0.3776 -0.4254 0.3681 18DPPE H6R 2103 1.189 2.540 5.453 0.6526 -0.1682 0.9264 18DPPE H6S 2104 1.311 2.554 5.323 -0.4245 1.2216 -1.7622 18DPPE C27 2105 1.108 2.595 5.261 -0.0075 -0.5852 -0.0196 18DPPE H7R 2106 1.024 2.646 5.312 2.0568 1.2649 1.7348 18DPPE H7S 2107 1.090 2.487 5.239 -1.9911 -0.4535 0.8087 18DPPE C28 2108 1.133 2.686 5.141 0.0425 -0.2087 0.2745 18DPPE H8R 2109 1.174 2.782 5.180 -0.0845 -1.5433 4.0139 18DPPE H8S 2110 1.036 2.702 5.090 0.2091 -1.7356 -0.5950 18DPPE C29 2111 1.235 2.630 5.042 -0.2653 -0.1179 -0.0973 18DPPE H9R 2112 1.190 2.569 4.960 -0.1222 -2.6949 1.6119 18DPPE H9S 2113 1.305 2.557 5.089 -1.2185 0.5127 2.4607 18DPPE C210 2114 1.321 2.739 4.978 0.8577 -0.7526 0.3048 18DPPE H10R 2115 1.405 2.770 5.045 1.0389 3.7401 -1.6493 18DPPE H10S 2116 1.255 2.826 4.958 0.0281 -1.4528 -0.0586 18DPPE C211 2117 1.379 2.699 4.843 0.7422 -0.4977 0.1783 18DPPE H11R 2118 1.387 2.589 4.831 -1.4481 -0.6854 0.2059 18DPPE H11S 2119 1.480 2.745 4.834 0.3101 1.0822 2.5906 18DPPE C212 2120 1.281 2.735 4.732 0.2959 -0.2848 0.6390 18DPPE H12R 2121 1.275 2.846 4.718 -1.4536 -0.2953 1.1538 18DPPE H12S 2122 1.180 2.700 4.761 -0.0766 -1.8887 -2.2102 18DPPE C213 2123 1.318 2.687 4.591 -0.2118 0.0880 0.3729 18DPPE H13R 2124 1.331 2.577 4.591 -0.7294 0.0189 -0.5582 18DPPE H13S 2125 1.408 2.742 4.554 -0.0672 0.9336 1.8858 18DPPE C214 2126 1.207 2.727 4.494 -0.2069 -0.1104 0.2855 18DPPE H14R 2127 1.121 2.656 4.494 0.4046 -1.0962 -3.8293 18DPPE H14S 2128 1.241 2.718 4.389 -3.9855 0.9786 -1.2105 18DPPE C215 2129 1.157 2.870 4.517 -0.4952 -0.0001 -0.9768 18DPPE H15R 2130 1.246 2.935 4.532 -0.6945 0.7054 -2.6233 18DPPE H15S 2131 1.095 2.878 4.609 1.1597 1.0575 0.1090 18DPPE C216 2132 1.081 2.924 4.396 -0.8557 0.1110 -0.7008 18DPPE H16R 2133 1.012 2.846 4.357 -1.0884 0.1757 -0.4212 18DPPE H16S 2134 1.153 2.952 4.316 1.3256 1.3169 1.5402 18DPPE H16T 2135 1.023 3.012 4.431 0.8526 1.4791 -1.1529 18DPPE C33 2136 0.936 3.045 5.876 0.4274 -0.6959 -0.2879 18DPPE H3X 2137 0.856 3.018 5.949 -1.8016 -2.1372 -3.0317 18DPPE H3Y 2138 0.953 2.949 5.822 0.4900 -0.9053 0.1017 18DPPE C34 2139 0.868 3.147 5.785 0.0299 -0.2887 0.4521 18DPPE H4X 2140 0.823 3.230 5.843 3.3490 2.5129 -0.6752 18DPPE H4Y 2141 0.801 3.084 5.722 0.6985 0.7203 -1.3399 18DPPE C35 2142 0.958 3.215 5.682 0.0596 -0.4568 0.3651 18DPPE H5X 2143 1.024 3.138 5.636 1.0053 1.3422 -1.4568 18DPPE H5Y 2144 1.022 3.290 5.733 -1.0738 1.8243 -1.3903 18DPPE C36 2145 0.877 3.281 5.570 0.2477 -0.1476 0.4100 18DPPE H6X 2146 0.788 3.333 5.614 -0.3280 -1.6722 1.1070 18DPPE H6Y 2147 0.843 3.192 5.513 0.8096 0.4202 -0.8431 18DPPE C37 2148 0.954 3.388 5.494 -0.3004 -0.0062 0.0465 18DPPE H7X 2149 1.038 3.331 5.449 -2.0748 -1.7823 -1.1751 18DPPE H7Y 2150 0.991 3.472 5.558 -0.5929 -0.6632 1.0882 18DPPE C38 2151 0.880 3.445 5.372 -0.4618 -0.2789 0.0186 18DPPE H8X 2152 0.961 3.477 5.304 -0.6944 1.2267 0.4119 18DPPE H8Y 2153 0.810 3.526 5.401 -1.1405 -1.1607 0.9559 18DPPE C39 2154 0.816 3.334 5.288 0.1936 -0.3459 -0.3958 18DPPE H9X 2155 0.717 3.319 5.336 -0.4071 1.2084 -1.1175 18DPPE H9Y 2156 0.871 3.239 5.308 0.9100 -0.2885 -1.9727 18DPPE C310 2157 0.795 3.355 5.139 0.2676 0.5342 -0.2843 18DPPE H10X 2158 0.782 3.257 5.088 2.3873 -0.3705 0.8055 18DPPE H10Y 2159 0.890 3.391 5.095 1.1101 0.7147 1.5952 18DPPE C311 2160 0.689 3.461 5.108 -0.1990 0.2668 0.3786 18DPPE H11X 2161 0.702 3.562 5.153 1.0243 0.5947 -0.6631 18DPPE H11Y 2162 0.598 3.426 5.162 -1.2033 2.4181 0.1908 18DPPE C312 2163 0.666 3.489 4.959 -0.3417 0.2081 0.3898 18DPPE H12X 2164 0.755 3.527 4.904 -0.1452 0.0051 0.5655 18DPPE H12Y 2165 0.590 3.570 4.952 -0.3238 0.5744 3.2310 18DPPE C313 2166 0.596 3.383 4.873 0.4431 -0.1251 0.1495 18DPPE H13X 2167 0.658 3.293 4.854 -1.1684 -0.9421 -1.4786 18DPPE H13Y 2168 0.569 3.419 4.772 -2.1185 -0.9897 0.4540 18DPPE C314 2169 0.477 3.325 4.950 -0.4008 0.6407 -0.5581 18DPPE H14X 2170 0.408 3.411 4.968 -0.9958 0.1292 -0.3471 18DPPE H14Y 2171 0.521 3.282 5.042 0.8580 0.6591 -1.1329 18DPPE C315 2172 0.399 3.211 4.885 -0.4446 0.0138 0.5661 18DPPE H15X 2173 0.340 3.263 4.806 -0.5833 0.0941 0.7214 18DPPE H15Y 2174 0.347 3.164 4.971 -0.1126 -0.5587 0.4550 18DPPE C316 2175 0.485 3.100 4.827 -0.4115 0.3590 -0.0591 18DPPE H16X 2176 0.566 3.076 4.899 -1.1251 -1.9952 0.0595 18DPPE H16Y 2177 0.534 3.151 4.741 -0.0186 1.3548 0.7402 18DPPE H16Z 2178 0.434 3.006 4.795 3.0824 -1.7607 -0.0248 19DPPE N 2179 1.866 1.420 6.208 0.0844 -0.2071 -0.3318 19DPPE HN1 2180 1.845 1.509 6.256 -1.6292 -0.7091 -0.0859 19DPPE HN2 2181 1.898 1.362 6.288 3.0699 0.3554 -0.9644 19DPPE HN3 2182 1.949 1.431 6.145 -0.1502 -2.0067 -1.0179 19DPPE C12 2183 1.735 1.381 6.145 -0.2508 0.1142 0.1639 19DPPE H12A 2184 1.751 1.281 6.098 -0.1508 -0.5830 1.6287 19DPPE H12B 2185 1.714 1.449 6.060 1.4433 1.1731 0.5621 19DPPE C11 2186 1.627 1.375 6.253 -0.4017 0.3895 0.0289 19DPPE H11A 2187 1.534 1.364 6.193 1.0871 -3.7638 -1.9410 19DPPE H11B 2188 1.626 1.475 6.300 0.1272 0.6160 -0.4344 19DPPE P 2189 1.571 1.293 6.475 -0.2604 0.1293 -0.2226 19DPPE O13 2190 1.637 1.382 6.573 -0.2806 0.0423 -0.1295 19DPPE O14 2191 1.543 1.154 6.520 0.2006 -0.1487 -0.7789 19DPPE O11 2192 1.433 1.361 6.431 -0.2926 0.2713 0.0974 19DPPE O12 2193 1.653 1.265 6.341 0.3216 0.5654 0.0397 19DPPE C1 2194 1.299 1.314 6.445 -0.2877 0.1754 -0.1847 19DPPE HA 2195 1.238 1.396 6.401 0.3618 1.9656 2.1139 19DPPE HB 2196 1.265 1.323 6.550 -0.6389 0.2742 -0.3047 19DPPE C2 2197 1.271 1.178 6.378 0.3070 -0.2701 0.4530 19DPPE HS 2198 1.319 1.098 6.438 1.1815 0.9310 1.3917 19DPPE O21 2199 1.307 1.193 6.240 0.0802 -0.3284 0.3867 19DPPE C21 2200 1.375 1.090 6.191 0.4999 -0.0212 0.3119 19DPPE O22 2201 1.386 0.984 6.251 0.2356 0.0492 0.4870 19DPPE C22 2202 1.427 1.113 6.050 -0.3282 -0.9477 -0.1611 19DPPE H2R 2203 1.538 1.115 6.047 -0.3285 1.2355 -0.4887 19DPPE H2S 2204 1.414 1.222 6.029 -0.8050 -0.5988 1.7416 19DPPE C3 2205 1.121 1.144 6.385 0.2453 0.0310 0.6017 19DPPE HX 2206 1.078 1.146 6.487 -0.7644 -3.4124 0.3614 19DPPE HY 2207 1.103 1.037 6.361 2.4969 -0.5371 1.2128 19DPPE O31 2208 1.048 1.232 6.298 0.1489 -0.2307 0.4177 19DPPE C31 2209 0.923 1.193 6.276 0.1189 0.2659 -0.3552 19DPPE O32 2210 0.881 1.085 6.317 0.3695 0.4067 0.2784 19DPPE C32 2211 0.850 1.289 6.183 0.2000 0.6111 -0.0657 19DPPE H2X 2212 0.888 1.393 6.189 1.5875 0.1087 0.2385 19DPPE H2Y 2213 0.745 1.286 6.219 -1.1404 -1.0506 -3.6592 19DPPE C23 2214 1.363 1.023 5.944 0.4487 -0.6269 -0.9170 19DPPE H3R 2215 1.256 1.008 5.973 -0.1174 0.1449 -2.4713 19DPPE H3S 2216 1.410 0.923 5.939 0.7291 -0.6851 1.5551 19DPPE C24 2217 1.359 1.078 5.802 -0.0174 -0.0493 -0.6862 19DPPE H4R 2218 1.291 1.007 5.750 0.3941 -0.3504 -0.8137 19DPPE H4S 2219 1.466 1.078 5.774 0.3847 1.6993 0.6847 19DPPE C25 2220 1.309 1.221 5.777 -0.3901 0.0857 0.7582 19DPPE H5R 2221 1.388 1.291 5.811 0.7662 0.2774 -2.0188 19DPPE H5S 2222 1.216 1.241 5.835 -0.2054 -0.3619 1.2188 19DPPE C26 2223 1.285 1.248 5.628 -0.1254 -0.1891 0.6636 19DPPE H6R 2224 1.201 1.318 5.610 -1.8985 -1.8803 2.0165 19DPPE H6S 2225 1.248 1.154 5.584 -2.0666 0.8199 0.0477 19DPPE C27 2226 1.413 1.285 5.552 -0.2879 -0.9387 0.0181 19DPPE H7R 2227 1.483 1.200 5.567 -0.4298 -1.5605 -2.4115 19DPPE H7S 2228 1.454 1.374 5.604 -0.1524 0.2160 -1.9672 19DPPE C28 2229 1.400 1.306 5.401 1.0983 0.4541 0.0680 19DPPE H8R 2230 1.500 1.329 5.358 0.2260 -0.7580 -2.8859 19DPPE H8S 2231 1.326 1.386 5.380 -0.2650 -0.8050 -0.0524 19DPPE C29 2232 1.349 1.180 5.331 0.4056 0.6770 0.1638 19DPPE H9R 2233 1.349 1.204 5.222 0.8237 -1.5514 -0.3843 19DPPE H9S 2234 1.244 1.151 5.351 -0.5182 1.4746 -2.9266 19DPPE C210 2235 1.439 1.057 5.344 0.0135 0.3712 0.0112 19DPPE H10R 2236 1.390 0.982 5.278 0.1634 1.1560 -1.0177 19DPPE H10S 2237 1.443 1.024 5.450 0.5682 0.1017 -0.0879 19DPPE C211 2238 1.584 1.072 5.296 -0.2088 0.6487 -0.5806 19DPPE H11R 2239 1.641 1.118 5.380 -0.5938 1.1595 -0.5929 19DPPE H11S 2240 1.572 1.145 5.213 -2.5994 1.5534 0.4508 19DPPE C212 2241 1.651 0.943 5.249 -0.2889 0.3508 0.1065 19DPPE H12R 2242 1.581 0.887 5.184 -1.0357 0.8318 0.4861 19DPPE H12S 2243 1.660 0.877 5.337 -1.1076 0.6028 0.3848 19DPPE C213 2244 1.783 0.964 5.175 0.3102 -0.8597 0.8058 19DPPE H13R 2245 1.768 1.012 5.076 2.9172 2.3312 1.7426 19DPPE H13S 2246 1.827 0.862 5.172 1.3545 -0.4458 1.1964 19DPPE C214 2247 1.882 1.058 5.246 -0.2847 0.3374 0.0899 19DPPE H14R 2248 1.835 1.158 5.247 -0.5466 0.2319 2.2203 19DPPE H14S 2249 1.980 1.068 5.194 0.3353 0.8327 1.3157 19DPPE C215 2250 1.919 1.009 5.386 -0.5614 -0.0842 0.0185 19DPPE H15R 2251 1.834 0.965 5.442 -0.7951 -1.7201 -1.5419 19DPPE H15S 2252 1.939 1.101 5.445 -0.5424 -1.2603 1.9288 19DPPE C216 2253 2.039 0.913 5.384 -0.3688 0.1622 -0.4612 19DPPE H16R 2254 2.116 0.964 5.322 -1.8580 2.6051 -0.4637 19DPPE H16S 2255 2.011 0.815 5.342 -0.3885 -0.0679 0.0792 19DPPE H16T 2256 2.084 0.910 5.486 0.7340 -0.7956 -0.9616 19DPPE C33 2257 0.838 1.234 6.041 0.2948 0.1069 0.1185 19DPPE H3X 2258 0.750 1.167 6.042 2.3504 -2.8017 2.0598 19DPPE H3Y 2259 0.930 1.177 6.015 -0.0046 0.5584 -2.1456 19DPPE C34 2260 0.826 1.348 5.940 0.6554 0.3404 0.3378 19DPPE H4X 2261 0.927 1.394 5.945 0.5533 0.6569 -0.3854 19DPPE H4Y 2262 0.743 1.418 5.962 1.0542 2.1208 -3.1169 19DPPE C35 2263 0.815 1.297 5.796 0.8344 -0.0271 0.4534 19DPPE H5X 2264 0.711 1.262 5.775 1.1615 0.1717 -1.7596 19DPPE H5Y 2265 0.884 1.212 5.778 0.7054 0.1005 -0.6869 19DPPE C36 2266 0.838 1.405 5.691 0.5781 -0.1856 0.2304 19DPPE H6X 2267 0.940 1.446 5.711 0.4226 -0.9351 3.0171 19DPPE H6Y 2268 0.752 1.475 5.696 -0.5118 -1.4301 -0.5366 19DPPE C37 2269 0.836 1.360 5.545 -0.2235 0.2800 0.0912 19DPPE H7X 2270 0.731 1.340 5.514 -0.8083 1.5127 1.1792 19DPPE H7Y 2271 0.895 1.266 5.539 -0.2470 0.0452 2.4676 19DPPE C38 2272 0.897 1.457 5.444 0.1290 0.0000 0.0350 19DPPE H8X 2273 0.996 1.494 5.479 0.1183 -0.7761 0.9092 19DPPE H8Y 2274 0.835 1.548 5.440 0.4540 0.2970 1.4105 19DPPE C39 2275 0.917 1.404 5.301 0.1358 0.1600 -0.0225 19DPPE H9X 2276 0.996 1.327 5.291 -2.7463 -2.8378 -1.8120 19DPPE H9Y 2277 0.952 1.489 5.238 1.2133 1.1843 1.8543 19DPPE C310 2278 0.789 1.342 5.244 0.1366 0.2025 -0.0711 19DPPE H10X 2279 0.708 1.417 5.236 -0.5947 -0.5896 -0.2824 19DPPE H10Y 2280 0.742 1.267 5.311 0.1977 -2.2209 -2.5539 19DPPE C311 2281 0.824 1.259 5.120 0.0276 -0.1034 0.1010 19DPPE H11X 2282 0.730 1.209 5.089 -0.4314 1.3477 -0.9393 19DPPE H11Y 2283 0.909 1.187 5.131 0.0032 -0.3742 -1.3727 19DPPE C312 2284 0.855 1.352 5.002 -0.0909 -0.1054 0.0687 19DPPE H12X 2285 0.949 1.411 4.997 -1.8269 2.6422 -2.7368 19DPPE H12Y 2286 0.783 1.434 4.982 1.1676 0.2796 -3.6317 19DPPE C313 2287 0.849 1.257 4.882 -0.1571 0.0845 -0.0784 19DPPE H13X 2288 0.747 1.215 4.878 -0.1463 0.1239 -4.1479 19DPPE H13Y 2289 0.922 1.173 4.890 -0.1209 0.1036 -0.2148 19DPPE C314 2290 0.884 1.333 4.754 0.2174 0.1476 0.0591 19DPPE H14X 2291 0.993 1.355 4.757 1.0055 -2.9032 -1.7101 19DPPE H14Y 2292 0.830 1.430 4.746 -1.8981 -0.8930 0.8999 19DPPE C315 2293 0.858 1.259 4.623 1.1555 -0.4527 0.2011 19DPPE H15X 2294 0.759 1.209 4.630 0.4441 0.7271 -0.8942 19DPPE H15Y 2295 0.943 1.188 4.611 0.3822 -1.5609 1.1604 19DPPE C316 2296 0.865 1.359 4.507 -0.4407 0.3014 0.7279 19DPPE H16X 2297 0.784 1.434 4.498 -1.9534 -1.4919 -2.1904 19DPPE H16Y 2298 0.866 1.312 4.406 -0.2731 1.5826 0.1176 19DPPE H16Z 2299 0.960 1.416 4.515 -0.1467 0.4722 -2.6044 20DPPE N 2300 5.384 2.382 6.472 0.1470 0.3811 0.4181 20DPPE HN1 2301 5.315 2.306 6.457 0.7013 -0.5773 2.3847 20DPPE HN2 2302 5.333 2.450 6.532 -2.5226 -0.9260 -0.2485 20DPPE HN3 2303 5.420 2.425 6.385 2.3642 0.6355 1.3796 20DPPE C12 2304 5.511 2.330 6.536 0.1055 -0.0620 0.1394 20DPPE H12A 2305 5.483 2.231 6.578 -0.7209 -0.9891 -2.3947 20DPPE H12B 2306 5.546 2.401 6.613 0.3905 -0.3254 0.2558 20DPPE C11 2307 5.625 2.300 6.438 0.6625 0.2391 0.6883 20DPPE H11A 2308 5.608 2.207 6.380 0.4440 1.2636 -0.9635 20DPPE H11B 2309 5.719 2.288 6.495 0.1756 -1.0011 1.2858 20DPPE P 2310 5.726 2.385 6.220 0.3583 -0.0086 -0.0294 20DPPE O13 2311 5.854 2.337 6.278 0.2669 0.2926 0.4227 20DPPE O14 2312 5.723 2.512 6.144 0.2362 0.2638 0.4282 20DPPE O11 2313 5.664 2.266 6.132 -0.2588 0.3852 -0.1332 20DPPE O12 2314 5.627 2.408 6.344 0.3001 -0.3531 -0.0103 20DPPE C1 2315 5.523 2.265 6.110 -0.3513 0.2975 0.4327 20DPPE HA 2316 5.470 2.354 6.149 -1.0499 -0.0239 0.2278 20DPPE HB 2317 5.472 2.179 6.157 0.3640 -1.1702 -1.3564 20DPPE C2 2318 5.491 2.254 5.959 0.8218 0.2902 0.1748 20DPPE HS 2319 5.526 2.155 5.923 0.3095 0.9079 -2.1658 20DPPE O21 2320 5.537 2.367 5.885 0.3849 0.2485 -0.1633 20DPPE C21 2321 5.597 2.328 5.773 0.0907 0.3461 -0.3553 20DPPE O22 2322 5.638 2.216 5.751 -0.6591 0.0154 -0.0871 20DPPE C22 2323 5.598 2.441 5.670 -0.0701 0.8741 0.2143 20DPPE H2R 2324 5.525 2.520 5.698 0.6236 1.3191 0.7970 20DPPE H2S 2325 5.576 2.401 5.568 0.9323 0.5205 0.1270 20DPPE C3 2326 5.338 2.240 5.958 0.8419 0.1071 -0.1757 20DPPE HX 2327 5.298 2.329 6.009 1.1055 -0.1547 0.4958 20DPPE HY 2328 5.311 2.145 6.009 0.6158 -0.9539 -2.1535 20DPPE O31 2329 5.290 2.240 5.823 -0.1182 -0.0645 0.1585 20DPPE C31 2330 5.239 2.129 5.770 -0.3579 0.2327 -0.2403 20DPPE O32 2331 5.242 2.017 5.820 -0.5799 0.2609 -0.1631 20DPPE C32 2332 5.159 2.179 5.651 -0.1768 0.2007 -0.3767 20DPPE H2X 2333 5.197 2.278 5.620 -0.5873 -0.1149 -1.9913 20DPPE H2Y 2334 5.050 2.180 5.673 -0.5498 1.9777 -1.9825 20DPPE C23 2335 5.732 2.515 5.667 0.2847 0.2298 -0.3821 20DPPE H3R 2336 5.820 2.450 5.653 -0.9137 -1.8836 1.1989 20DPPE H3S 2337 5.741 2.548 5.773 -0.1457 0.0678 -0.2909 20DPPE C24 2338 5.739 2.647 5.589 -0.4912 0.5432 0.0597 20DPPE H4R 2339 5.845 2.669 5.616 -0.5160 2.4780 -1.2207 20DPPE H4S 2340 5.667 2.708 5.647 -1.5443 -0.5585 -0.0436 20DPPE C25 2341 5.693 2.630 5.444 0.1128 -0.4146 -0.0283 20DPPE H5R 2342 5.735 2.725 5.406 0.0942 -1.2358 -2.2089 20DPPE H5S 2343 5.585 2.619 5.423 -0.2332 -1.1246 1.8482 20DPPE C26 2344 5.774 2.524 5.369 0.0677 -0.3530 -0.1616 20DPPE H6R 2345 5.733 2.422 5.384 1.5891 -0.8917 0.4749 20DPPE H6S 2346 5.876 2.535 5.410 0.3699 2.6157 -1.4486 20DPPE C27 2347 5.789 2.554 5.219 -0.1028 -0.4183 -0.1920 20DPPE H7R 2348 5.806 2.662 5.202 2.0382 -0.4776 1.2176 20DPPE H7S 2349 5.694 2.519 5.173 0.6136 -1.4135 -0.9684 20DPPE C28 2350 5.908 2.490 5.147 -0.0527 -0.1771 -0.3219 20DPPE H8R 2351 5.874 2.385 5.139 0.3936 -0.1746 -4.4991 20DPPE H8S 2352 5.993 2.503 5.217 1.1000 -0.4516 -1.6336 20DPPE C29 2353 5.938 2.536 5.004 -0.0650 -0.5563 -0.4467 20DPPE H9R 2354 5.995 2.460 4.946 1.8324 1.2658 -1.1141 20DPPE H9S 2355 5.987 2.636 5.006 -0.1205 -0.5322 0.5903 20DPPE C210 2356 5.810 2.565 4.926 -0.2288 -0.4865 -0.1556 20DPPE H10R 2357 5.765 2.662 4.956 -2.2679 -0.8993 -1.6369 20DPPE H10S 2358 5.731 2.493 4.958 0.8022 -1.1200 1.0152 20DPPE C211 2359 5.823 2.553 4.774 -0.3228 -0.3109 -0.1791 20DPPE H11R 2360 5.918 2.604 4.749 0.8130 -1.7235 1.0541 20DPPE H11S 2361 5.734 2.596 4.724 1.3012 2.7084 -0.6872 20DPPE C212 2362 5.840 2.409 4.722 0.6823 -0.1319 -0.3782 20DPPE H12R 2363 5.745 2.360 4.753 0.6381 0.6761 0.8547 20DPPE H12S 2364 5.927 2.365 4.775 -0.7734 -1.4931 0.9912 20DPPE C213 2365 5.847 2.410 4.570 -0.6329 0.3921 -0.4563 20DPPE H13R 2366 5.774 2.480 4.524 -0.2489 0.5224 -0.8741 20DPPE H13S 2367 5.818 2.306 4.545 -0.2377 0.6146 -1.9903 20DPPE C214 2368 5.993 2.442 4.534 -0.3899 -0.5177 -0.3249 20DPPE H14R 2369 6.057 2.367 4.584 1.5546 0.7644 -0.8165 20DPPE H14S 2370 6.024 2.544 4.565 -2.4302 -0.4301 1.7035 20DPPE C215 2371 6.033 2.422 4.388 -0.0842 -0.0617 -0.3053 20DPPE H15R 2372 6.022 2.313 4.368 -0.3320 -0.2805 0.9422 20DPPE H15S 2373 6.143 2.430 4.376 0.1041 -0.5734 0.9783 20DPPE C216 2374 5.958 2.502 4.281 -0.0777 0.4311 0.0576 20DPPE H16R 2375 5.851 2.476 4.287 0.1621 -0.4276 0.9496 20DPPE H16S 2376 5.998 2.513 4.178 1.1145 -0.9104 0.3477 20DPPE H16T 2377 5.948 2.605 4.321 -0.2300 0.2386 0.5242 20DPPE C33 2378 5.181 2.088 5.530 0.0451 -0.1442 -0.0774 20DPPE H3X 2379 5.168 1.979 5.549 0.8508 -0.0161 1.3396 20DPPE H3Y 2380 5.289 2.096 5.509 -0.3512 0.3303 -2.1888 20DPPE C34 2381 5.093 2.141 5.417 -0.2482 -0.4308 0.0132 20DPPE H4X 2382 5.123 2.247 5.404 -1.4998 0.0811 1.0670 20DPPE H4Y 2383 4.987 2.130 5.448 -0.1017 0.6197 0.9650 20DPPE C35 2384 5.123 2.095 5.274 -0.3865 0.4316 -0.2983 20DPPE H5X 2385 5.143 1.987 5.290 0.8269 0.9139 1.8737 20DPPE H5Y 2386 5.215 2.144 5.233 1.0427 -1.8220 0.0169 20DPPE C36 2387 5.017 2.122 5.168 -0.7717 0.0578 -0.0087 20DPPE H6X 2388 4.929 2.180 5.203 -0.5893 0.6012 -0.4483 20DPPE H6Y 2389 4.972 2.026 5.134 -0.2811 0.5020 -2.0804 20DPPE C37 2390 5.065 2.208 5.051 -0.1575 0.0878 0.2642 20DPPE H7X 2391 5.168 2.185 5.014 0.6392 -1.4301 3.1237 20DPPE H7Y 2392 5.062 2.315 5.077 0.0014 0.2008 -0.1608 20DPPE C38 2393 4.973 2.191 4.929 -0.2463 -0.5170 0.4127 20DPPE H8X 2394 4.867 2.207 4.958 0.2185 1.9169 0.9442 20DPPE H8Y 2395 4.972 2.083 4.903 0.4808 -0.1585 -1.2398 20DPPE C39 2396 5.004 2.277 4.807 0.0532 -0.9274 0.1983 20DPPE H9X 2397 5.066 2.364 4.838 -0.8951 -0.4391 0.7525 20DPPE H9Y 2398 4.910 2.319 4.766 0.0005 -0.9596 0.2870 20DPPE C310 2399 5.065 2.201 4.688 0.2451 -0.9503 0.3103 20DPPE H10X 2400 5.002 2.110 4.675 0.6906 -1.4051 1.2377 20DPPE H10Y 2401 5.153 2.155 4.738 0.7876 -0.1193 0.1268 20DPPE C311 2402 5.092 2.286 4.565 -0.2095 -0.4321 0.5654 20DPPE H11X 2403 5.152 2.375 4.594 2.4064 -1.3704 -1.4825 20DPPE H11Y 2404 4.996 2.328 4.528 0.0629 -0.3041 -0.0218 20DPPE C312 2405 5.156 2.217 4.444 0.0117 0.5245 0.1272 20DPPE H12X 2406 5.256 2.178 4.471 1.8239 3.2580 -1.9802 20DPPE H12Y 2407 5.165 2.293 4.363 0.9146 0.8781 0.5450 20DPPE C313 2408 5.056 2.120 4.381 -0.2468 0.6396 0.3538 20DPPE H13X 2409 5.037 2.037 4.453 0.2154 -2.6618 -2.9944 20DPPE H13Y 2410 5.114 2.078 4.295 -0.0648 -1.2016 1.3204 20DPPE C314 2411 4.933 2.190 4.324 -0.5100 -0.2353 -0.1752 20DPPE H14X 2412 4.949 2.300 4.315 0.2867 -0.2723 0.6821 20DPPE H14Y 2413 4.853 2.188 4.401 -2.4720 -3.1989 -2.0768 20DPPE C315 2414 4.871 2.128 4.199 -0.3072 0.1250 -0.4557 20DPPE H15X 2415 4.903 2.023 4.212 2.5193 1.2271 2.7270 20DPPE H15Y 2416 4.936 2.171 4.120 -0.1030 -2.2075 -1.6453 20DPPE C316 2417 4.724 2.165 4.179 -0.3247 0.2882 -0.0233 20DPPE H16X 2418 4.657 2.145 4.266 1.0645 -0.1204 0.9870 20DPPE H16Y 2419 4.683 2.106 4.095 2.0544 -2.3597 0.5225 20DPPE H16Z 2420 4.707 2.272 4.155 -2.0240 0.3088 1.0795 21DPPE N 2421 1.690 0.931 6.483 0.3495 -0.8941 -0.0222 21DPPE HN1 2422 1.592 0.967 6.482 0.3464 -0.9199 -0.8817 21DPPE HN2 2423 1.749 1.008 6.521 -0.0353 -1.0463 0.9296 21DPPE HN3 2424 1.706 0.848 6.544 -1.0228 -0.8995 0.3714 21DPPE C12 2425 1.728 0.890 6.343 -0.1261 0.0661 -0.4397 21DPPE H12A 2426 1.759 0.980 6.285 1.3501 -0.5009 -0.5567 21DPPE H12B 2427 1.645 0.841 6.289 -0.2218 0.4120 -0.6113 21DPPE C11 2428 1.842 0.789 6.346 0.1556 0.3977 0.1774 21DPPE H11A 2429 1.930 0.844 6.388 -1.8267 2.6878 1.6032 21DPPE H11B 2430 1.880 0.766 6.244 0.5706 0.0157 0.4128 21DPPE P 2431 1.887 0.535 6.385 -0.3151 -0.0189 0.1420 21DPPE O13 2432 1.847 0.439 6.489 -0.4580 -0.1125 0.0012 21DPPE O14 2433 2.030 0.574 6.385 -0.2871 -0.1203 -0.3492 21DPPE O11 2434 1.835 0.499 6.238 -0.0756 0.1292 0.0190 21DPPE O12 2435 1.807 0.670 6.418 -0.4840 0.0788 -0.6554 21DPPE C1 2436 1.884 0.373 6.191 0.5248 0.0306 0.8859 21DPPE HA 2437 1.813 0.359 6.107 4.6355 1.5683 -3.2388 21DPPE HB 2438 1.875 0.295 6.270 1.1477 -0.1422 0.7840 21DPPE C2 2439 2.020 0.392 6.123 0.1287 0.3688 0.1727 21DPPE HS 2440 2.082 0.407 6.214 -0.3493 2.4259 0.1999 21DPPE O21 2441 2.017 0.507 6.039 -0.0047 0.0280 -0.2942 21DPPE C21 2442 2.138 0.560 6.020 -0.0042 0.1174 -0.0414 21DPPE O22 2443 2.244 0.511 6.056 0.2275 0.7794 0.1955 21DPPE C22 2444 2.132 0.695 5.949 0.4190 0.5773 0.7693 21DPPE H2R 2445 2.120 0.780 6.019 -5.5429 2.0530 -1.4019 21DPPE H2S 2446 2.038 0.701 5.890 -0.0598 2.1596 1.6248 21DPPE C3 2447 2.053 0.262 6.047 0.1962 0.4596 0.0464 21DPPE HX 2448 2.041 0.174 6.114 2.0087 -1.6153 -2.1865 21DPPE HY 2449 2.155 0.256 6.004 -0.0660 0.7131 -0.6136 21DPPE O31 2450 1.957 0.238 5.944 0.3244 -0.3095 0.1017 21DPPE C31 2451 1.971 0.298 5.826 0.3688 0.2408 0.3828 21DPPE O32 2452 2.075 0.342 5.780 0.0463 0.7537 0.1302 21DPPE C32 2453 1.839 0.276 5.754 0.6151 -0.2190 0.0609 21DPPE H2X 2454 1.767 0.342 5.809 2.1975 -0.0805 2.0557 21DPPE H2Y 2455 1.813 0.169 5.769 -1.2341 0.0268 -0.9731 21DPPE C23 2456 2.247 0.712 5.850 -0.0114 0.3582 0.2233 21DPPE H3R 2457 2.346 0.723 5.900 1.6492 -0.4254 -2.6763 21DPPE H3S 2458 2.236 0.807 5.793 0.7513 -0.0666 -0.6530 21DPPE C24 2459 2.252 0.609 5.738 0.3095 0.2342 0.3518 21DPPE H4R 2460 2.148 0.609 5.700 -0.2876 -0.3032 1.8998 21DPPE H4S 2461 2.274 0.512 5.789 -1.5324 -1.2588 -1.5133 21DPPE C25 2462 2.362 0.632 5.634 0.2125 -0.1828 0.1516 21DPPE H5R 2463 2.462 0.650 5.680 0.6783 -1.7249 -0.1932 21DPPE H5S 2464 2.327 0.722 5.577 -0.9240 -1.5726 -1.4475 21DPPE C26 2465 2.380 0.527 5.525 0.4380 -0.0339 0.0427 21DPPE H6R 2466 2.424 0.432 5.563 1.8392 -0.2698 -1.9992 21DPPE H6S 2467 2.450 0.564 5.447 -0.9515 2.0687 -0.3005 21DPPE C27 2468 2.248 0.497 5.453 0.4105 0.3390 -0.0638 21DPPE H7R 2469 2.188 0.588 5.434 2.7272 1.5531 -2.0303 21DPPE H7S 2470 2.180 0.439 5.519 0.4609 0.2791 -0.0643 21DPPE C28 2471 2.281 0.434 5.317 0.2009 0.0519 0.0164 21DPPE H8R 2472 2.190 0.383 5.279 -1.5996 4.1005 -1.6977 21DPPE H8S 2473 2.363 0.360 5.317 -0.7131 -0.9980 -1.4351 21DPPE C29 2474 2.325 0.523 5.201 -0.0123 0.4450 0.2334 21DPPE H9R 2475 2.353 0.466 5.110 -2.7475 1.5537 -1.4316 21DPPE H9S 2476 2.408 0.580 5.247 -0.3285 0.1427 1.1900 21DPPE C210 2477 2.232 0.638 5.161 -0.4845 0.1140 0.3778 21DPPE H10R 2478 2.228 0.711 5.245 -2.5807 1.2996 -0.6556 21DPPE H10S 2479 2.128 0.605 5.141 0.2480 -1.3680 -1.2001 21DPPE C211 2480 2.267 0.724 5.040 -0.1046 0.0185 0.4184 21DPPE H11R 2481 2.295 0.661 4.953 0.3980 0.4135 0.2892 21DPPE H11S 2482 2.346 0.799 5.062 1.0331 -1.1931 0.5224 21DPPE C212 2483 2.142 0.796 4.988 0.2871 0.2581 -0.2025 21DPPE H12R 2484 2.098 0.842 5.079 1.4780 -0.5192 0.7865 21DPPE H12S 2485 2.073 0.720 4.947 -0.1151 -1.6485 3.6025 21DPPE C213 2486 2.172 0.893 4.873 0.8342 0.2506 -0.0678 21DPPE H13R 2487 2.193 0.837 4.780 -0.7093 -1.0039 0.3108 21DPPE H13S 2488 2.263 0.949 4.903 2.2091 -0.3350 -2.8556 21DPPE C214 2489 2.057 0.990 4.845 0.4673 -0.0789 0.2790 21DPPE H14R 2490 2.064 1.064 4.927 -2.3633 1.4518 -0.7247 21DPPE H14S 2491 2.060 1.036 4.744 -0.1532 -1.0818 -0.2175 21DPPE C215 2492 1.914 0.941 4.864 0.3944 0.0995 0.1876 21DPPE H15R 2493 1.844 1.028 4.874 -1.2177 -1.0191 -0.8326 21DPPE H15S 2494 1.908 0.874 4.952 2.5573 -0.0057 0.3048 21DPPE C216 2495 1.854 0.871 4.742 0.9370 0.3967 -0.2533 21DPPE H16R 2496 1.765 0.807 4.760 0.7376 0.9847 1.0342 21DPPE H16S 2497 1.930 0.793 4.722 -0.1811 -0.5902 -0.7657 21DPPE H16T 2498 1.854 0.938 4.654 1.8198 -0.4225 -0.8907 21DPPE C33 2499 1.837 0.318 5.607 0.4164 -0.4766 -0.0100 21DPPE H3X 2500 1.735 0.295 5.571 0.6329 -0.6813 -0.5053 21DPPE H3Y 2501 1.916 0.269 5.545 -0.7499 -1.3672 -0.8384 21DPPE C34 2502 1.847 0.469 5.587 -0.6329 -0.3291 0.5420 21DPPE H4X 2503 1.956 0.488 5.595 -0.8861 1.9022 -0.4279 21DPPE H4Y 2504 1.797 0.538 5.658 1.1679 0.7814 0.7944 21DPPE C35 2505 1.807 0.517 5.447 -0.0328 -0.7149 0.2388 21DPPE H5X 2506 1.820 0.627 5.442 0.7851 -0.8467 -1.7491 21DPPE H5Y 2507 1.699 0.498 5.434 -0.2991 -0.0034 1.3486 21DPPE C36 2508 1.878 0.458 5.324 -0.6630 -0.9880 0.0032 21DPPE H6X 2509 1.892 0.348 5.330 -0.2724 -0.9150 0.4433 21DPPE H6Y 2510 1.979 0.502 5.310 -1.2933 1.3948 2.0958 21DPPE C37 2511 1.799 0.487 5.197 -0.4641 -0.8933 -0.0988 21DPPE H7X 2512 1.801 0.598 5.191 -0.0288 -0.8037 1.4818 21DPPE H7Y 2513 1.692 0.459 5.206 -0.3502 -0.5944 3.0257 21DPPE C38 2514 1.882 0.429 5.082 -0.0528 -0.4477 -0.0315 21DPPE H8X 2515 1.882 0.318 5.075 -2.7072 -0.4387 -1.5948 21DPPE H8Y 2516 1.990 0.449 5.100 -0.0186 1.1106 -1.6646 21DPPE C39 2517 1.844 0.491 4.948 0.0017 -0.4587 -0.0516 21DPPE H9X 2518 1.842 0.601 4.966 -0.9416 -0.8249 2.4307 21DPPE H9Y 2519 1.745 0.459 4.907 -0.5220 -0.2052 0.9769 21DPPE C310 2520 1.947 0.466 4.838 0.0755 0.2275 -0.1428 21DPPE H10X 2521 1.976 0.361 4.819 -0.9311 0.0164 -0.5853 21DPPE H10Y 2522 2.036 0.530 4.857 0.0353 0.0472 0.6737 21DPPE C311 2523 1.888 0.514 4.704 -0.2277 0.4780 0.0767 21DPPE H11X 2524 1.826 0.604 4.720 0.4257 0.9270 0.1444 21DPPE H11Y 2525 1.817 0.438 4.666 1.3567 -1.8452 1.4788 21DPPE C312 2526 1.986 0.523 4.587 -0.5427 -0.5034 -0.2777 21DPPE H12X 2527 2.053 0.609 4.608 1.9733 -2.3268 -0.3497 21DPPE H12Y 2528 1.919 0.564 4.509 -2.4514 1.7701 2.3540 21DPPE C313 2529 2.071 0.405 4.539 0.1888 0.1147 -0.5305 21DPPE H13X 2530 2.151 0.385 4.614 -2.4033 -1.9686 1.9439 21DPPE H13Y 2531 2.100 0.425 4.434 -3.9257 1.0530 -1.6780 21DPPE C314 2532 1.990 0.275 4.542 -0.1737 0.3308 -0.9149 21DPPE H14X 2533 1.891 0.299 4.497 -1.7630 -0.9552 1.6678 21DPPE H14Y 2534 1.972 0.235 4.644 -0.7258 -1.1801 -1.5821 21DPPE C315 2535 2.072 0.173 4.463 0.2007 -0.4788 0.4844 21DPPE H15X 2536 2.169 0.212 4.426 -0.6148 0.5927 -0.6035 21DPPE H15Y 2537 2.008 0.146 4.377 0.8231 0.5035 -0.3149 21DPPE C316 2538 2.090 0.039 4.533 0.4264 -0.6654 0.0720 21DPPE H16X 2539 2.126 -0.033 4.457 -2.0237 -1.2568 -0.6267 21DPPE H16Y 2540 2.001 0.002 4.588 2.0657 -1.3089 2.4608 21DPPE H16Z 2541 2.176 0.045 4.603 0.7249 -0.9274 -0.2689 22DPPE N 2542 5.409 3.985 6.560 0.1985 -0.0509 0.2948 22DPPE HN1 2543 5.437 4.029 6.649 2.5117 1.6920 -1.1787 22DPPE HN2 2544 5.418 3.885 6.586 -0.2337 0.1192 1.1237 22DPPE HN3 2545 5.481 4.004 6.487 -1.6188 0.7304 -1.4143 22DPPE C12 2546 5.264 4.020 6.536 0.2998 -0.0111 -0.2850 22DPPE H12A 2547 5.220 4.026 6.638 -2.1993 1.5102 -1.3361 22DPPE H12B 2548 5.254 4.121 6.491 -1.1424 0.3836 0.8233 22DPPE C11 2549 5.198 3.918 6.442 0.3406 -0.3457 0.0478 22DPPE H11A 2550 5.104 3.963 6.403 1.6572 1.5136 -1.2053 22DPPE H11B 2551 5.181 3.836 6.515 3.5701 -1.0321 0.1650 22DPPE P 2552 5.227 3.785 6.232 -0.0499 0.1563 0.4581 22DPPE O13 2553 5.087 3.753 6.266 -0.2796 0.4425 -0.2118 22DPPE O14 2554 5.328 3.679 6.208 -0.0074 0.3318 -0.1465 22DPPE O11 2555 5.223 3.873 6.099 0.1731 -0.6271 -0.0782 22DPPE O12 2556 5.292 3.883 6.341 0.5198 0.3276 -0.0292 22DPPE C1 2557 5.335 3.959 6.072 -0.5252 0.4649 0.4037 22DPPE HA 2558 5.352 3.956 5.962 0.1164 0.6786 0.4947 22DPPE HB 2559 5.428 3.915 6.115 -1.8200 -1.8518 1.0303 22DPPE C2 2560 5.323 4.102 6.126 0.2197 0.3670 0.8518 22DPPE HS 2561 5.362 4.104 6.230 -2.3482 2.5141 1.9128 22DPPE O21 2562 5.187 4.148 6.126 0.0582 -0.0987 0.4547 22DPPE C21 2563 5.163 4.249 6.210 -0.3356 -0.2285 0.4980 22DPPE O22 2564 5.241 4.303 6.286 -0.2614 -0.1976 0.3994 22DPPE C22 2565 5.027 4.311 6.182 -0.0174 -0.0875 -0.8004 22DPPE H2R 2566 5.046 4.411 6.138 0.3557 0.9004 1.4612 22DPPE H2S 2567 4.974 4.335 6.277 1.1109 4.9557 -1.1996 22DPPE C3 2568 5.398 4.198 6.033 -0.1385 0.1694 0.3531 22DPPE HX 2569 5.504 4.171 6.052 -0.0007 1.0185 0.8841 22DPPE HY 2570 5.380 4.306 6.053 -0.5500 0.3712 -0.9896 22DPPE O31 2571 5.356 4.167 5.900 -0.3203 0.3309 0.3714 22DPPE C31 2572 5.270 4.249 5.839 0.0695 0.1995 -0.3684 22DPPE O32 2573 5.206 4.337 5.894 0.5317 0.1131 0.3156 22DPPE C32 2574 5.272 4.220 5.689 -0.4446 -0.0340 -0.3304 22DPPE H2X 2575 5.220 4.122 5.684 -2.1706 0.5984 2.6770 22DPPE H2Y 2576 5.371 4.208 5.641 -1.6329 -0.7052 -2.7368 22DPPE C23 2577 4.943 4.243 6.074 -1.0588 0.1662 -0.1710 22DPPE H3R 2578 5.012 4.237 5.987 -0.1869 1.4015 0.4044 22DPPE H3S 2579 4.852 4.303 6.053 -2.3873 -1.1174 1.5758 22DPPE C24 2580 4.887 4.107 6.116 -0.0766 -0.1143 0.2524 22DPPE H4R 2581 4.824 4.112 6.207 0.8911 -1.6745 1.0700 22DPPE H4S 2582 4.967 4.032 6.137 -1.4376 -1.1685 1.9713 22DPPE C25 2583 4.807 4.048 6.000 -0.3891 -0.3410 0.5805 22DPPE H5R 2584 4.712 4.105 6.000 0.5655 1.3454 -0.3007 22DPPE H5S 2585 4.773 3.948 6.035 -1.8801 -0.2347 -0.4456 22DPPE C26 2586 4.866 4.031 5.860 -0.1857 0.3530 0.5764 22DPPE H6R 2587 4.944 3.952 5.860 -0.8461 -0.3970 -1.6365 22DPPE H6S 2588 4.919 4.119 5.819 -0.2329 -0.8969 -2.4813 22DPPE C27 2589 4.770 3.987 5.749 0.9239 0.1360 -0.3184 22DPPE H7R 2590 4.679 4.051 5.744 -0.7197 -2.0208 0.5911 22DPPE H7S 2591 4.741 3.880 5.754 -0.4799 0.5337 1.1061 22DPPE C28 2592 4.822 4.012 5.607 0.6021 -0.0470 -0.4697 22DPPE H8R 2593 4.921 3.975 5.575 0.5661 0.2316 -0.9274 22DPPE H8S 2594 4.814 4.123 5.608 -1.8431 -0.0517 3.3261 22DPPE C29 2595 4.719 3.964 5.505 -0.1033 0.3095 0.0626 22DPPE H9R 2596 4.614 3.968 5.541 -0.1783 -0.1257 -0.1010 22DPPE H9S 2597 4.735 3.855 5.493 1.1826 0.5110 -0.1226 22DPPE C210 2598 4.742 4.026 5.367 -0.0681 0.2241 0.0314 22DPPE H10R 2599 4.743 4.134 5.390 -3.3031 0.5249 -0.8360 22DPPE H10S 2600 4.666 4.009 5.288 -0.3080 -1.7254 0.6154 22DPPE C211 2601 4.866 3.984 5.287 0.0641 0.4730 0.1051 22DPPE H11R 2602 4.883 3.874 5.282 -2.0950 0.1395 -3.8765 22DPPE H11S 2603 4.951 4.039 5.333 -0.3218 1.8183 -0.7412 22DPPE C212 2604 4.860 4.028 5.141 -0.2587 -0.8811 -0.3084 22DPPE H12R 2605 4.825 4.131 5.118 -0.1299 -1.0510 -1.3021 22DPPE H12S 2606 4.786 3.964 5.089 0.9627 -2.0472 -0.6558 22DPPE C213 2607 4.994 4.026 5.067 -0.1628 0.3753 -0.1936 22DPPE H13R 2608 5.057 3.947 5.113 -1.0472 -0.5302 -0.5033 22DPPE H13S 2609 5.034 4.127 5.088 0.8278 0.3009 -1.5845 22DPPE C214 2610 5.002 4.011 4.915 -0.6512 -0.6431 -0.1243 22DPPE H14R 2611 4.932 4.087 4.874 -1.4030 -0.2748 1.7258 22DPPE H14S 2612 4.941 3.921 4.890 -2.1494 0.4137 -0.4308 22DPPE C215 2613 5.134 4.007 4.838 -0.3846 0.6310 0.2505 22DPPE H15R 2614 5.192 3.915 4.864 -2.5250 -0.2630 2.2397 22DPPE H15S 2615 5.192 4.098 4.865 1.5555 0.2891 -2.3615 22DPPE C216 2616 5.119 4.010 4.686 -0.0787 0.2310 0.2108 22DPPE H16R 2617 5.075 4.106 4.653 0.0399 -0.1128 -0.9902 22DPPE H16S 2618 5.056 3.928 4.644 -0.9232 1.5119 -1.0899 22DPPE H16T 2619 5.218 3.987 4.643 0.9913 -0.0133 2.6407 22DPPE C33 2620 5.188 4.330 5.624 -0.3452 0.3579 0.1987 22DPPE H3X 2621 5.226 4.433 5.645 -0.1122 0.2936 0.0987 22DPPE H3Y 2622 5.087 4.314 5.666 0.8060 -1.5148 2.4914 22DPPE C34 2623 5.187 4.323 5.471 0.8978 0.1025 0.1907 22DPPE H4X 2624 5.147 4.229 5.429 -2.7787 1.9574 -0.9077 22DPPE H4Y 2625 5.295 4.326 5.444 0.4958 -1.1016 -1.7108 22DPPE C35 2626 5.098 4.431 5.411 0.4525 -0.1709 0.3583 22DPPE H5X 2627 5.117 4.533 5.452 1.0191 0.3796 -1.1845 22DPPE H5Y 2628 4.996 4.409 5.449 -0.1137 -0.0425 -1.0192 22DPPE C36 2629 5.066 4.440 5.262 0.2878 0.3933 0.4246 22DPPE H6X 2630 5.046 4.334 5.235 4.6442 -0.9308 1.5912 22DPPE H6Y 2631 5.155 4.466 5.201 0.0983 1.3726 0.5338 22DPPE C37 2632 4.944 4.532 5.244 -0.0175 -0.1032 -0.0777 22DPPE H7X 2633 4.964 4.627 5.298 -1.4712 1.5069 -2.1755 22DPPE H7Y 2634 4.859 4.483 5.295 -1.0454 2.1966 0.5500 22DPPE C38 2635 4.918 4.556 5.095 0.5155 0.1940 -0.1286 22DPPE H8X 2636 4.997 4.624 5.057 0.4082 -0.9110 -2.4887 22DPPE H8Y 2637 4.815 4.593 5.076 0.6929 1.4779 1.2744 22DPPE C39 2638 4.911 4.422 5.020 0.4908 0.1669 -0.0784 22DPPE H9X 2639 4.849 4.350 5.078 2.4840 0.7046 2.9625 22DPPE H9Y 2640 5.013 4.379 5.024 0.9705 1.3413 1.5987 22DPPE C310 2641 4.854 4.420 4.878 -0.2266 -0.2535 0.2086 22DPPE H10X 2642 4.757 4.473 4.884 1.0405 2.2115 0.3077 22DPPE H10Y 2643 4.829 4.317 4.844 -0.7782 -0.2913 0.7118 22DPPE C311 2644 4.947 4.495 4.782 0.1235 -0.5435 0.3188 22DPPE H11X 2645 5.017 4.429 4.727 0.0744 -0.6202 0.3493 22DPPE H11Y 2646 5.005 4.574 4.834 -0.9017 0.6839 -0.3488 22DPPE C312 2647 4.875 4.572 4.671 -0.4003 -0.4700 0.7005 22DPPE H12X 2648 4.952 4.634 4.621 -2.4863 -0.5529 -2.9940 22DPPE H12Y 2649 4.813 4.651 4.718 -0.5358 1.4737 -2.4599 22DPPE C313 2650 4.803 4.481 4.571 0.0221 0.0207 -0.0583 22DPPE H13X 2651 4.726 4.426 4.628 -1.0873 1.9708 0.4232 22DPPE H13Y 2652 4.874 4.411 4.520 1.4569 0.4016 1.3421 22DPPE C314 2653 4.723 4.546 4.458 -0.2695 -0.3684 -0.0766 22DPPE H14X 2654 4.797 4.599 4.394 -2.9299 0.2066 -2.9467 22DPPE H14Y 2655 4.654 4.614 4.513 -1.0920 -0.6119 -0.7815 22DPPE C315 2656 4.642 4.445 4.377 -0.1744 -0.2127 -0.3699 22DPPE H15X 2657 4.556 4.422 4.444 0.2585 1.0534 0.6590 22DPPE H15Y 2658 4.700 4.353 4.350 -0.5926 -1.2052 1.9151 22DPPE C316 2659 4.586 4.515 4.253 -0.2526 -0.2546 -0.3586 22DPPE H16X 2660 4.522 4.598 4.288 0.5447 -0.2994 1.3292 22DPPE H16Y 2661 4.523 4.439 4.202 0.6340 -3.0464 2.3775 22DPPE H16Z 2662 4.667 4.551 4.187 -0.4294 -0.9229 -0.9608 23DPPE N 2663 5.821 5.753 6.427 -0.2122 0.6875 -0.1170 23DPPE HN1 2664 5.796 5.847 6.390 -0.3982 0.9972 0.7561 23DPPE HN2 2665 5.883 5.703 6.361 -1.4155 -4.2159 2.0180 23DPPE HN3 2666 5.734 5.699 6.442 -0.2384 0.7487 -0.0499 23DPPE C12 2667 5.912 5.777 6.546 -0.2110 -0.0326 0.0357 23DPPE H12A 2668 5.886 5.721 6.638 -2.2373 0.6462 -0.0552 23DPPE H12B 2669 5.885 5.882 6.571 -2.2688 -0.6118 0.4500 23DPPE C11 2670 6.060 5.770 6.508 -0.2920 -0.2126 -0.2554 23DPPE H11A 2671 6.085 5.662 6.517 1.8140 0.0021 -2.5393 23DPPE H11B 2672 6.101 5.832 6.590 1.3730 -1.2401 -0.2644 23DPPE P 2673 6.161 5.726 6.284 0.3514 0.1658 -0.2144 23DPPE O13 2674 6.072 5.613 6.248 0.1253 0.2678 0.0210 23DPPE O14 2675 6.295 5.694 6.337 0.3606 -0.4610 -0.5991 23DPPE O11 2676 6.182 5.805 6.146 0.0882 0.1942 -0.2400 23DPPE O12 2677 6.077 5.825 6.377 -0.4223 -0.3672 -0.3376 23DPPE C1 2678 6.071 5.881 6.099 -0.1286 0.1036 0.1206 23DPPE HA 2679 6.112 5.959 6.032 2.8701 0.0971 1.7534 23DPPE HB 2680 6.012 5.932 6.178 -1.7759 -1.0399 -0.3127 23DPPE C2 2681 5.975 5.804 6.007 0.3797 -0.2004 -0.1629 23DPPE HS 2682 5.902 5.753 6.073 -0.4702 0.7816 -0.3128 23DPPE O21 2683 6.039 5.702 5.929 0.1802 -0.1590 -0.3868 23DPPE C21 2684 5.981 5.584 5.913 0.0453 -0.0897 -0.4054 23DPPE O22 2685 5.881 5.550 5.975 -0.1230 0.5521 -0.3134 23DPPE C22 2686 6.046 5.490 5.812 -0.5812 -0.0957 -0.8156 23DPPE H2R 2687 6.153 5.479 5.841 -1.0058 0.9950 1.4076 23DPPE H2S 2688 6.046 5.537 5.712 -3.8308 0.0537 -0.8393 23DPPE C3 2689 5.890 5.896 5.918 0.3004 -0.3711 -0.2661 23DPPE HX 2690 5.825 5.969 5.972 -0.4942 0.6333 -2.4454 23DPPE HY 2691 5.806 5.836 5.877 -1.7034 1.2832 1.1558 23DPPE O31 2692 5.972 5.970 5.827 0.1072 -0.1728 -0.2856 23DPPE C31 2693 5.983 5.927 5.702 0.3535 -0.0452 -0.3091 23DPPE O32 2694 5.919 5.834 5.654 0.3994 -0.0613 -0.3421 23DPPE C32 2695 6.093 6.004 5.629 0.4711 -0.1170 -0.2072 23DPPE H2X 2696 6.185 5.983 5.687 -0.1981 -0.6018 0.7185 23DPPE H2Y 2697 6.088 6.115 5.625 4.6187 0.2254 0.3968 23DPPE C23 2698 5.973 5.357 5.795 -0.5917 -0.2651 0.4678 23DPPE H3R 2699 5.864 5.374 5.812 -0.8833 -1.4673 -0.1121 23DPPE H3S 2700 6.015 5.282 5.866 1.2726 1.7314 1.5985 23DPPE C24 2701 5.976 5.306 5.651 -0.8578 0.0224 0.3593 23DPPE H4R 2702 6.077 5.337 5.616 -1.2050 -0.3097 -0.9788 23DPPE H4S 2703 5.898 5.348 5.584 1.7081 1.3074 -2.0527 23DPPE C25 2704 5.960 5.155 5.635 -0.2870 0.0198 -0.2089 23DPPE H5R 2705 6.045 5.104 5.685 1.0603 1.1019 -1.3109 23DPPE H5S 2706 5.986 5.134 5.529 1.2457 -2.5226 0.5540 23DPPE C26 2707 5.826 5.100 5.683 -0.2743 0.0660 -0.1107 23DPPE H6R 2708 5.754 5.168 5.632 -0.6707 -0.1923 0.0917 23DPPE H6S 2709 5.806 5.107 5.792 1.6811 0.7045 0.2461 23DPPE C27 2710 5.797 4.956 5.638 0.2711 -0.2361 0.5003 23DPPE H7R 2711 5.686 4.953 5.644 0.2128 -2.6875 -0.6700 23DPPE H7S 2712 5.844 4.883 5.708 -0.1351 1.5973 2.8282 23DPPE C28 2713 5.825 4.938 5.489 -0.9095 -0.0490 0.2478 23DPPE H8R 2714 5.932 4.917 5.471 -1.2465 -0.3827 -1.5328 23DPPE H8S 2715 5.816 5.034 5.434 -2.7876 -0.4726 -0.2718 23DPPE C29 2716 5.744 4.822 5.430 0.3718 -1.0362 0.3802 23DPPE H9R 2717 5.741 4.742 5.507 0.7570 -1.2804 0.1455 23DPPE H9S 2718 5.805 4.775 5.350 0.1376 -2.3701 0.9662 23DPPE C210 2719 5.599 4.847 5.387 0.3678 -0.5775 0.6551 23DPPE H10R 2720 5.606 4.933 5.316 1.6147 -0.4229 0.9306 23DPPE H10S 2721 5.520 4.884 5.455 0.0737 0.5447 -0.2742 23DPPE C211 2722 5.548 4.734 5.298 -0.1210 0.2086 -0.0778 23DPPE H11R 2723 5.483 4.665 5.356 -2.0063 1.3269 -0.7507 23DPPE H11S 2724 5.636 4.686 5.250 -1.9864 -1.0331 -2.5350 23DPPE C212 2725 5.468 4.774 5.173 -0.1540 0.3986 0.0042 23DPPE H12R 2726 5.514 4.861 5.122 -1.7984 0.1720 -1.9599 23DPPE H12S 2727 5.371 4.819 5.203 -1.8854 -1.7719 -2.0248 23DPPE C213 2728 5.427 4.666 5.073 -0.2979 0.2835 0.1873 23DPPE H13R 2729 5.388 4.580 5.131 -0.3622 0.5525 0.5500 23DPPE H13S 2730 5.521 4.641 5.021 1.2874 2.2113 1.9560 23DPPE C214 2731 5.335 4.701 4.956 0.4736 0.4486 -0.3770 23DPPE H14R 2732 5.354 4.805 4.922 1.7708 0.5286 0.5354 23DPPE H14S 2733 5.230 4.702 4.995 0.5327 1.1038 -0.2328 23DPPE C215 2734 5.339 4.599 4.842 0.2755 0.1634 -0.1321 23DPPE H15R 2735 5.434 4.617 4.788 0.7540 1.7186 1.1645 23DPPE H15S 2736 5.265 4.633 4.766 2.8449 -1.1656 -3.4768 23DPPE C216 2737 5.322 4.452 4.881 -0.1857 0.1626 -0.3207 23DPPE H16R 2738 5.220 4.425 4.916 0.2597 -0.1939 0.7456 23DPPE H16S 2739 5.398 4.425 4.957 2.0079 1.6953 -1.8385 23DPPE H16T 2740 5.360 4.388 4.799 0.7577 -2.2365 1.8301 23DPPE C33 2741 6.105 5.965 5.481 -0.1866 -0.1128 -0.2671 23DPPE H3X 2742 6.058 6.046 5.422 0.0567 0.8014 0.7538 23DPPE H3Y 2743 6.053 5.869 5.461 1.6392 -0.6515 -2.9860 23DPPE C34 2744 6.247 5.957 5.425 -0.1136 0.0690 -0.1082 23DPPE H4X 2745 6.316 5.903 5.494 0.9669 1.8781 0.2941 23DPPE H4Y 2746 6.289 6.060 5.420 0.0433 0.2061 2.4389 23DPPE C35 2747 6.247 5.892 5.286 -0.0201 0.5171 -0.3202 23DPPE H5X 2748 6.207 5.961 5.209 -1.9116 0.1271 0.2592 23DPPE H5Y 2749 6.180 5.804 5.296 -1.1735 1.1681 -1.9087 23DPPE C36 2750 6.389 5.847 5.252 0.0762 0.8432 -0.3568 23DPPE H6X 2751 6.418 5.787 5.342 -1.9821 1.5460 0.8601 23DPPE H6Y 2752 6.453 5.938 5.252 0.0967 0.8695 1.5765 23DPPE C37 2753 6.411 5.795 5.110 0.0260 0.0193 -0.0671 23DPPE H7X 2754 6.373 5.869 5.037 -1.6563 -0.2080 0.5198 23DPPE H7Y 2755 6.348 5.705 5.094 0.0862 -0.0511 0.0864 23DPPE C38 2756 6.556 5.749 5.092 -0.2706 -0.9018 -0.1441 23DPPE H8X 2757 6.582 5.665 5.160 -0.0771 0.7891 1.9401 23DPPE H8Y 2758 6.619 5.836 5.119 -2.7833 1.4054 -1.2940 23DPPE C39 2759 6.573 5.716 4.943 0.4618 -0.0163 -0.2666 23DPPE H9X 2760 6.542 5.805 4.885 -0.3010 0.3503 0.6741 23DPPE H9Y 2761 6.513 5.628 4.911 0.1499 0.4679 -1.0194 23DPPE C310 2762 6.721 5.685 4.923 0.5232 -0.0907 0.2662 23DPPE H10X 2763 6.744 5.588 4.971 -0.9309 -0.9267 -0.6605 23DPPE H10Y 2764 6.773 5.769 4.974 -1.1078 0.8722 0.4283 23DPPE C311 2765 6.764 5.684 4.776 -0.0343 -0.6018 0.1019 23DPPE H11X 2766 6.875 5.683 4.782 0.1525 -1.8575 -2.3047 23DPPE H11Y 2767 6.727 5.772 4.719 -0.8796 -0.8542 0.2547 23DPPE C312 2768 6.707 5.558 4.712 0.4476 -0.6610 -0.2182 23DPPE H12X 2769 6.604 5.531 4.744 0.3217 -1.2045 -1.0298 23DPPE H12Y 2770 6.772 5.470 4.734 1.6800 1.1006 4.2388 23DPPE C313 2771 6.696 5.564 4.560 0.0294 0.2154 -0.1547 23DPPE H13X 2772 6.792 5.610 4.530 0.7158 -0.2072 1.3411 23DPPE H13Y 2773 6.611 5.629 4.528 -1.0438 0.6337 3.2161 23DPPE C314 2774 6.661 5.424 4.509 0.1420 0.1423 -0.0293 23DPPE H14X 2775 6.573 5.389 4.567 -0.2926 2.3767 0.7736 23DPPE H14Y 2776 6.734 5.342 4.523 -1.4184 -1.5491 -1.2848 23DPPE C315 2777 6.596 5.427 4.371 0.2608 0.4910 -0.0798 23DPPE H15X 2778 6.681 5.446 4.302 0.2546 -1.9005 -0.8480 23DPPE H15Y 2779 6.542 5.523 4.358 1.8856 1.9930 3.2330 23DPPE C316 2780 6.518 5.302 4.330 0.4326 0.3484 0.0250 23DPPE H16X 2781 6.477 5.264 4.426 1.6803 0.7174 0.7212 23DPPE H16Y 2782 6.586 5.230 4.280 -1.3152 -1.1455 -0.3077 23DPPE H16Z 2783 6.439 5.340 4.262 -0.2932 0.2783 0.8112 24DPPE N 2784 1.649 4.213 6.672 0.1479 -0.0253 0.2311 24DPPE HN1 2785 1.708 4.201 6.587 1.2239 1.5985 0.6961 24DPPE HN2 2786 1.617 4.123 6.712 -0.3293 -1.4611 -3.0620 24DPPE HN3 2787 1.566 4.264 6.636 -0.2503 -0.6096 0.3112 24DPPE C12 2788 1.729 4.287 6.777 0.1910 0.4636 -0.1441 24DPPE H12A 2789 1.654 4.329 6.847 0.5727 -1.9970 1.8534 24DPPE H12B 2790 1.793 4.216 6.832 -0.6590 1.7064 2.6242 24DPPE C11 2791 1.816 4.395 6.712 0.4051 0.2624 -0.1896 24DPPE H11A 2792 1.860 4.471 6.780 0.1651 -1.7428 2.3469 24DPPE H11B 2793 1.759 4.457 6.640 0.3200 -1.1474 -1.3839 24DPPE P 2794 2.050 4.405 6.612 0.2129 0.1295 0.2596 24DPPE O13 2795 2.141 4.368 6.723 0.0300 -0.2161 0.2946 24DPPE O14 2796 2.014 4.547 6.592 -0.3105 -0.0480 -0.0698 24DPPE O11 2797 2.107 4.347 6.475 0.9016 0.2323 0.4984 24DPPE O12 2798 1.911 4.327 6.629 0.0896 0.1815 -0.4867 24DPPE C1 2799 2.173 4.220 6.483 0.3775 -0.1234 -0.5647 24DPPE HA 2800 2.145 4.156 6.569 2.0978 -1.1220 -0.7124 24DPPE HB 2801 2.283 4.234 6.493 0.0517 0.6185 5.4072 24DPPE C2 2802 2.146 4.135 6.358 -0.1416 -0.0866 -0.4796 24DPPE HS 2803 2.207 4.042 6.363 -1.9529 -1.3004 0.2295 24DPPE O21 2804 2.173 4.207 6.238 -0.4074 0.1853 -0.3775 24DPPE C21 2805 2.237 4.137 6.144 0.2381 -0.1465 0.2927 24DPPE O22 2806 2.277 4.022 6.149 -0.2811 -0.3717 -0.3904 24DPPE C22 2807 2.248 4.242 6.034 0.2371 -0.6595 -0.2044 24DPPE H2R 2808 2.332 4.312 6.053 0.6957 -1.5166 1.0419 24DPPE H2S 2809 2.160 4.310 6.029 0.3034 -0.5665 -0.1126 24DPPE C3 2810 2.000 4.086 6.364 -0.3276 0.4462 -0.5952 24DPPE HX 2811 1.929 4.171 6.364 -1.5515 -0.4984 -3.0335 24DPPE HY 2812 1.978 4.034 6.460 1.4060 1.1380 0.2129 24DPPE O31 2813 1.973 3.999 6.254 0.4316 0.0702 -0.4954 24DPPE C31 2814 2.002 3.870 6.271 -0.1917 0.0003 0.0806 24DPPE O32 2815 2.053 3.820 6.370 -0.0756 -0.3219 -0.1422 24DPPE C32 2816 1.964 3.779 6.155 0.4782 0.2900 -0.3753 24DPPE H2X 2817 1.897 3.841 6.092 -0.8807 -2.0051 -1.3038 24DPPE H2Y 2818 1.901 3.698 6.198 0.3848 0.7984 0.4785 24DPPE C23 2819 2.260 4.181 5.894 0.1646 -0.6377 -0.2194 24DPPE H3R 2820 2.175 4.112 5.874 0.0947 -0.7911 0.5650 24DPPE H3S 2821 2.347 4.113 5.883 0.7295 -0.0761 0.6426 24DPPE C24 2822 2.272 4.281 5.778 0.0599 -0.1286 0.2031 24DPPE H4R 2823 2.187 4.353 5.773 1.5145 1.7096 0.8666 24DPPE H4S 2824 2.271 4.224 5.683 -0.0861 -1.2519 0.8595 24DPPE C25 2825 2.396 4.369 5.771 -0.1889 0.2139 0.1165 24DPPE H5R 2826 2.492 4.313 5.774 0.0725 0.7000 1.2625 24DPPE H5S 2827 2.405 4.417 5.870 -1.4374 -2.0087 1.3816 24DPPE C26 2828 2.391 4.470 5.655 -0.5639 -0.5149 -0.5077 24DPPE H6R 2829 2.466 4.549 5.674 -0.5572 -0.7577 0.5713 24DPPE H6S 2830 2.288 4.513 5.657 -0.5824 -0.5548 0.9972 24DPPE C27 2831 2.416 4.407 5.518 -0.4827 -0.2459 -0.6158 24DPPE H7R 2832 2.337 4.337 5.483 -1.0386 0.8242 -1.5665 24DPPE H7S 2833 2.518 4.363 5.524 0.4534 1.8268 -0.2718 24DPPE C28 2834 2.449 4.507 5.407 -0.3343 0.1600 -0.2077 24DPPE H8R 2835 2.545 4.559 5.431 -1.2973 1.6891 0.5209 24DPPE H8S 2836 2.368 4.583 5.401 1.0766 1.6390 -1.7061 24DPPE C29 2837 2.475 4.447 5.269 -0.0692 -0.2407 0.0178 24DPPE H9R 2838 2.382 4.404 5.226 0.8510 -1.0966 -1.1934 24DPPE H9S 2839 2.548 4.363 5.280 0.3474 0.0438 -0.5492 24DPPE C210 2840 2.521 4.557 5.174 -0.5901 -0.1171 -0.0932 24DPPE H10R 2841 2.627 4.581 5.199 -0.0669 -1.6192 -0.7406 24DPPE H10S 2842 2.449 4.640 5.189 -1.6539 -1.2137 1.0856 24DPPE C211 2843 2.516 4.512 5.028 0.6126 0.0939 -0.2105 24DPPE H11R 2844 2.428 4.447 5.011 0.0296 0.4241 1.4494 24DPPE H11S 2845 2.612 4.458 5.013 0.3854 0.0089 -1.5161 24DPPE C212 2846 2.516 4.627 4.926 -0.6087 0.6365 0.3876 24DPPE H12R 2847 2.588 4.705 4.957 -2.1923 1.3351 2.6149 24DPPE H12S 2848 2.417 4.677 4.937 -0.9622 -0.1595 0.9561 24DPPE C213 2849 2.551 4.596 4.781 -0.5869 0.4297 0.4365 24DPPE H13R 2850 2.494 4.508 4.743 1.5498 -0.7011 -0.2970 24DPPE H13S 2851 2.658 4.569 4.774 0.0288 2.1233 2.3879 24DPPE C214 2852 2.528 4.713 4.685 0.4925 0.0713 -0.2883 24DPPE H14R 2853 2.580 4.800 4.731 -0.8284 -0.6227 2.8098 24DPPE H14S 2854 2.420 4.738 4.696 0.1288 -0.6639 -1.8996 24DPPE C215 2855 2.569 4.691 4.540 0.1965 -0.3906 -0.3033 24DPPE H15R 2856 2.673 4.652 4.533 0.3510 -0.1467 0.5142 24DPPE H15S 2857 2.559 4.781 4.476 -0.8020 -0.0306 0.3412 24DPPE C216 2858 2.496 4.571 4.479 -0.1959 -0.5334 0.4324 24DPPE H16R 2859 2.502 4.478 4.539 3.0617 0.8680 2.6087 24DPPE H16S 2860 2.531 4.552 4.375 -0.4971 1.4776 -0.0726 24DPPE H16T 2861 2.391 4.607 4.484 0.4159 1.5592 -0.5771 24DPPE C33 2862 2.093 3.722 6.098 0.4697 0.4030 -0.5083 24DPPE H3X 2863 2.129 3.631 6.151 -1.7620 0.2998 0.9620 24DPPE H3Y 2864 2.162 3.806 6.121 0.5810 0.1005 0.2929 24DPPE C34 2865 2.085 3.696 5.947 0.1415 -1.0226 -0.2599 24DPPE H4X 2866 2.032 3.782 5.900 0.6886 -0.5272 0.0062 24DPPE H4Y 2867 2.023 3.607 5.924 0.9922 -1.7094 0.0629 24DPPE C35 2868 2.213 3.671 5.867 0.2159 0.1134 -0.5119 24DPPE H5X 2869 2.238 3.564 5.879 -0.6525 -0.0725 -0.3224 24DPPE H5Y 2870 2.294 3.734 5.910 1.2089 -1.7198 0.4246 24DPPE C36 2871 2.200 3.706 5.718 -0.2105 -0.6022 -0.6471 24DPPE H6X 2872 2.183 3.816 5.718 0.6984 -0.4518 -0.9460 24DPPE H6Y 2873 2.111 3.652 5.680 -1.3690 0.1003 0.9267 24DPPE C37 2874 2.332 3.674 5.647 0.4046 -0.2686 0.3170 24DPPE H7X 2875 2.347 3.569 5.679 -2.1298 -0.7957 -0.0489 24DPPE H7Y 2876 2.425 3.727 5.674 1.3352 -0.9327 -1.3967 24DPPE C38 2877 2.307 3.677 5.496 -0.4343 0.8352 0.4650 24DPPE H8X 2878 2.305 3.781 5.458 -0.9617 1.7475 2.8374 24DPPE H8Y 2879 2.206 3.634 5.475 0.2200 0.4668 -2.3532 24DPPE C39 2880 2.404 3.596 5.409 -0.4374 0.5435 0.7312 24DPPE H9X 2881 2.401 3.495 5.455 -2.7463 -0.4609 -1.4103 24DPPE H9Y 2882 2.508 3.634 5.418 -0.1989 0.1369 -0.1878 24DPPE C310 2883 2.361 3.583 5.263 -0.0965 -0.1492 0.6899 24DPPE H10X 2884 2.274 3.514 5.255 -0.8517 0.6690 1.6496 24DPPE H10Y 2885 2.437 3.531 5.201 0.3212 1.7800 -0.4799 24DPPE C311 2886 2.328 3.715 5.193 -0.0759 -0.5119 -0.0099 24DPPE H11X 2887 2.403 3.791 5.223 1.8401 -1.8435 -1.1807 24DPPE H11Y 2888 2.233 3.752 5.236 0.3203 1.3160 -0.6273 24DPPE C312 2889 2.316 3.718 5.040 -0.4816 0.0952 0.0308 24DPPE H12X 2890 2.255 3.634 5.002 -0.2208 0.5802 -1.5265 24DPPE H12Y 2891 2.415 3.697 4.994 -0.4343 1.5402 -0.5822 24DPPE C313 2892 2.260 3.850 4.985 -0.1728 0.2669 0.1226 24DPPE H13X 2893 2.328 3.933 5.014 -1.0931 1.3482 -0.7558 24DPPE H13Y 2894 2.155 3.864 5.016 -0.2652 0.7575 -0.4133 24DPPE C314 2895 2.252 3.832 4.833 -0.2267 -0.1952 0.1782 24DPPE H14X 2896 2.188 3.745 4.806 -2.2970 0.6001 2.1796 24DPPE H14Y 2897 2.358 3.824 4.800 -0.0744 0.1922 0.5602 24DPPE C315 2898 2.200 3.959 4.765 0.9975 0.3139 0.1722 24DPPE H15X 2899 2.288 4.027 4.768 -1.0169 3.0195 2.2756 24DPPE H15Y 2900 2.113 3.992 4.825 0.5498 0.0037 -0.2938 24DPPE C316 2901 2.151 3.931 4.623 0.6398 -0.2281 0.3984 24DPPE H16X 2902 2.080 4.005 4.580 0.1739 -0.4649 0.7455 24DPPE H16Y 2903 2.103 3.831 4.624 -0.5973 0.3477 0.7476 24DPPE H16Z 2904 2.236 3.918 4.552 -0.3686 -2.4929 -0.4999 25DPPE N 2905 4.580 3.816 6.254 0.5136 0.0890 0.4461 25DPPE HN1 2906 4.678 3.837 6.283 1.1826 -0.2173 -1.4211 25DPPE HN2 2907 4.543 3.753 6.328 -3.1446 1.7589 0.2500 25DPPE HN3 2908 4.579 3.760 6.166 0.4601 -1.0259 1.1535 25DPPE C12 2909 4.495 3.932 6.209 0.0747 -0.5784 -0.4753 25DPPE H12A 2910 4.563 4.001 6.153 -0.8504 1.9850 1.3737 25DPPE H12B 2911 4.468 3.990 6.300 -0.6797 -1.2887 -0.2305 25DPPE C11 2912 4.375 3.893 6.123 -0.0549 0.0131 -0.5673 25DPPE H11A 2913 4.423 3.851 6.032 2.1266 1.1444 0.0146 25DPPE H11B 2914 4.323 3.988 6.097 0.9830 -0.1514 -3.7052 25DPPE P 2915 4.189 3.849 6.287 0.5998 -0.3430 0.0083 25DPPE O13 2916 4.257 3.941 6.381 -0.1058 -0.1238 0.3057 25DPPE O14 2917 4.119 3.731 6.342 -0.1164 0.0488 -0.0538 25DPPE O11 2918 4.093 3.937 6.194 0.1685 0.3591 1.1059 25DPPE O12 2919 4.294 3.790 6.180 0.7423 -0.2506 0.0968 25DPPE C1 2920 3.965 3.883 6.161 0.6375 -0.1476 0.0699 25DPPE HA 2921 3.906 3.967 6.119 0.3458 0.3858 1.4738 25DPPE HB 2922 3.911 3.846 6.251 -0.7084 0.5803 -0.4121 25DPPE C2 2923 3.974 3.767 6.060 -0.1224 -0.2743 0.1412 25DPPE HS 2924 4.015 3.675 6.106 -1.4483 -0.4256 1.0984 25DPPE O21 2925 4.068 3.822 5.968 -0.5567 0.2011 -0.0232 25DPPE C21 2926 4.122 3.726 5.893 -0.2663 0.2413 0.1315 25DPPE O22 2927 4.106 3.606 5.912 0.2005 0.1309 -0.1674 25DPPE C22 2928 4.217 3.780 5.788 0.0658 0.3323 0.4764 25DPPE H2R 2929 4.285 3.857 5.830 1.0512 1.2992 -2.6030 25DPPE H2S 2930 4.142 3.809 5.711 -1.4472 -1.9919 0.9735 25DPPE C3 2931 3.834 3.726 6.012 -0.1975 0.0686 0.0594 25DPPE HX 2932 3.766 3.813 6.021 -1.8927 -1.2819 1.0646 25DPPE HY 2933 3.783 3.658 6.084 1.3320 0.2465 1.3734 25DPPE O31 2934 3.837 3.672 5.879 -0.2211 -0.1419 0.1439 25DPPE C31 2935 3.817 3.541 5.862 0.2317 -0.1211 -0.6154 25DPPE O32 2936 3.806 3.457 5.950 -0.4115 0.4313 -0.1490 25DPPE C32 2937 3.800 3.518 5.713 0.4467 0.3460 -0.7129 25DPPE H2X 2938 3.695 3.549 5.692 -0.2583 -0.9598 0.7685 25DPPE H2Y 2939 3.806 3.408 5.699 -0.4055 0.2251 -0.2366 25DPPE C23 2940 4.297 3.669 5.718 0.0370 0.7942 -0.3080 25DPPE H3R 2941 4.222 3.589 5.699 1.4586 -0.1713 -2.1235 25DPPE H3S 2942 4.372 3.628 5.789 -0.1770 2.3854 0.9245 25DPPE C24 2943 4.361 3.714 5.587 0.8593 -0.0504 -0.2033 25DPPE H4R 2944 4.434 3.793 5.611 1.3810 0.0486 -1.9736 25DPPE H4S 2945 4.280 3.755 5.522 1.2267 -0.0509 -0.6656 25DPPE C25 2946 4.433 3.605 5.507 0.5636 -0.0203 -0.5137 25DPPE H5R 2947 4.370 3.515 5.528 0.0747 0.5806 0.6861 25DPPE H5S 2948 4.535 3.591 5.547 -0.7860 1.8484 4.3147 25DPPE C26 2949 4.425 3.624 5.355 0.2082 0.6797 -0.4142 25DPPE H6R 2950 4.513 3.683 5.322 0.8997 0.5332 1.0580 25DPPE H6S 2951 4.336 3.681 5.325 -0.1393 -0.1212 -0.9512 25DPPE C27 2952 4.441 3.488 5.287 0.0565 0.3807 0.1403 25DPPE H7R 2953 4.356 3.420 5.312 1.5938 -1.7768 -0.2690 25DPPE H7S 2954 4.527 3.428 5.322 1.5872 0.2782 -3.4096 25DPPE C28 2955 4.456 3.506 5.136 0.4234 -0.0342 0.1236 25DPPE H8R 2956 4.539 3.576 5.112 -0.1684 0.0731 -1.7897 25DPPE H8S 2957 4.359 3.553 5.107 0.6708 -0.2925 -1.1991 25DPPE C29 2958 4.466 3.381 5.049 -0.4080 -0.0096 -0.0169 25DPPE H9R 2959 4.452 3.412 4.943 1.5693 -0.4822 -0.4538 25DPPE H9S 2960 4.385 3.313 5.083 -0.3095 0.4554 1.1787 25DPPE C210 2961 4.603 3.314 5.062 -0.1373 0.7050 0.9000 25DPPE H10R 2962 4.611 3.268 5.163 0.1235 -1.7972 -0.1708 25DPPE H10S 2963 4.671 3.401 5.068 -0.1354 0.6418 2.2821 25DPPE C211 2964 4.639 3.212 4.954 -0.5529 0.5892 0.8698 25DPPE H11R 2965 4.635 3.271 4.860 -1.5922 0.2358 0.6746 25DPPE H11S 2966 4.570 3.124 4.951 -1.0050 0.9389 0.7990 25DPPE C212 2967 4.782 3.159 4.960 -0.8702 -0.5153 -0.6812 25DPPE H12R 2968 4.844 3.250 4.975 -0.2081 -1.2820 1.5798 25DPPE H12S 2969 4.809 3.104 4.867 -3.3092 1.4395 -2.6934 25DPPE C213 2970 4.807 3.061 5.075 0.0456 0.2663 -0.1983 25DPPE H13R 2971 4.755 2.964 5.059 1.1516 -0.6630 1.5798 25DPPE H13S 2972 4.762 3.118 5.159 0.2385 0.8926 -0.5149 25DPPE C214 2973 4.951 3.039 5.122 -0.0494 -0.5350 -0.2651 25DPPE H14R 2974 5.013 3.024 5.031 1.0768 -0.8805 0.5356 25DPPE H14S 2975 4.962 2.947 5.184 2.4674 -0.2391 -0.1718 25DPPE C215 2976 5.002 3.161 5.198 -0.0034 -0.5720 -0.2363 25DPPE H15R 2977 4.944 3.183 5.290 1.5705 -0.2967 0.7362 25DPPE H15S 2978 5.001 3.246 5.127 -0.7044 -0.7434 -0.4307 25DPPE C216 2979 5.141 3.125 5.253 0.3796 -0.0357 -0.8362 25DPPE H16R 2980 5.177 3.219 5.300 -0.9145 0.5295 -0.9184 25DPPE H16S 2981 5.209 3.099 5.169 1.3825 2.1111 -0.7625 25DPPE H16T 2982 5.135 3.044 5.328 -1.2957 0.0400 -0.8402 25DPPE C33 2983 3.913 3.573 5.626 0.8238 0.1086 -0.3769 25DPPE H3X 2984 4.011 3.540 5.665 1.2492 1.2669 -0.4291 25DPPE H3Y 2985 3.914 3.684 5.629 -2.5834 0.2446 2.3344 25DPPE C34 2986 3.911 3.506 5.488 0.1292 -0.8803 0.1058 25DPPE H4X 2987 3.804 3.497 5.459 0.2353 -1.3827 -0.1544 25DPPE H4Y 2988 3.935 3.399 5.507 0.4079 -1.7757 -4.3438 25DPPE C35 2989 3.999 3.562 5.376 -0.1866 0.2300 0.3997 25DPPE H5X 2990 4.100 3.596 5.408 0.0383 0.0619 -0.1196 25DPPE H5Y 2991 3.954 3.655 5.336 1.2781 1.3980 1.3554 25DPPE C36 2992 4.018 3.453 5.270 -0.6750 0.4507 0.0805 25DPPE H6X 2993 3.922 3.397 5.269 -0.2300 -0.3295 0.1461 25DPPE H6Y 2994 4.103 3.389 5.302 -0.6238 0.3122 -0.3242 25DPPE C37 2995 4.041 3.504 5.128 -0.3896 0.3707 0.0962 25DPPE H7X 2996 4.112 3.589 5.130 -0.7006 0.6250 1.1336 25DPPE H7Y 2997 3.950 3.561 5.096 -1.0053 -0.4290 0.3826 25DPPE C38 2998 4.069 3.394 5.026 -0.8692 0.1750 0.1716 25DPPE H8X 2999 3.988 3.318 5.027 0.0024 -0.7806 0.4306 25DPPE H8Y 3000 4.163 3.345 5.060 -1.3038 -2.8752 -2.4830 25DPPE C39 3001 4.075 3.444 4.882 0.1812 0.4372 0.2989 25DPPE H9X 3002 4.160 3.511 4.856 -1.2550 0.9637 -3.8370 25DPPE H9Y 3003 3.980 3.491 4.849 0.7812 2.1050 0.8470 25DPPE C310 3004 4.097 3.325 4.789 0.0178 0.4934 0.1876 25DPPE H10X 3005 3.993 3.287 4.778 0.4728 -1.2749 1.5917 25DPPE H10Y 3006 4.149 3.250 4.851 -3.0781 0.2120 2.7145 25DPPE C311 3007 4.163 3.380 4.662 0.0787 0.4637 0.2070 25DPPE H11X 3008 4.261 3.425 4.686 1.2835 -2.0471 0.2746 25DPPE H11Y 3009 4.105 3.467 4.623 1.2246 1.8267 1.4318 25DPPE C312 3010 4.200 3.276 4.555 0.7814 0.8317 0.0851 25DPPE H12X 3011 4.268 3.325 4.483 -0.2470 -0.6847 -2.0202 25DPPE H12Y 3012 4.109 3.234 4.506 1.6763 -0.9030 -0.1497 25DPPE C313 3013 4.294 3.173 4.617 0.0093 0.1803 0.1841 25DPPE H13X 3014 4.247 3.123 4.705 -0.3809 0.3540 0.0750 25DPPE H13Y 3015 4.389 3.214 4.657 -0.6082 -0.8846 3.0601 25DPPE C314 3016 4.340 3.074 4.510 0.0200 0.3174 0.0628 25DPPE H14X 3017 4.352 3.138 4.420 0.8119 0.5709 0.3402 25DPPE H14Y 3018 4.252 3.008 4.494 -1.3293 1.8609 0.8531 25DPPE C315 3019 4.468 2.998 4.543 0.0945 0.6099 0.4504 25DPPE H15X 3020 4.463 2.954 4.645 -0.1145 0.7422 0.4976 25DPPE H15Y 3021 4.554 3.067 4.561 1.4143 -0.6966 -0.5542 25DPPE C316 3022 4.497 2.890 4.439 -0.3772 0.4556 0.4775 25DPPE H16X 3023 4.512 2.935 4.338 -2.6127 2.3509 0.9024 25DPPE H16Y 3024 4.418 2.813 4.436 1.1699 -1.2464 1.4203 25DPPE H16Z 3025 4.590 2.841 4.474 0.4127 2.4267 1.3200 26DPPE N 3026 3.154 0.234 6.071 -0.8709 0.3495 -0.0184 26DPPE HN1 3027 3.214 0.296 6.013 -1.0790 0.2696 -0.3231 26DPPE HN2 3028 3.209 0.153 6.103 -1.0518 -0.6891 -2.1261 26DPPE HN3 3029 3.075 0.213 6.006 -1.5171 -0.0695 0.8882 26DPPE C12 3030 3.108 0.302 6.198 0.0425 0.1487 0.4239 26DPPE H12A 3031 3.193 0.336 6.261 0.3423 0.2277 -0.0137 26DPPE H12B 3032 3.066 0.227 6.267 -0.3177 0.8305 0.9609 26DPPE C11 3033 3.015 0.419 6.162 0.1859 0.0612 -0.2394 26DPPE H11A 3034 2.996 0.470 6.258 0.3663 0.5904 -0.4825 26DPPE H11B 3035 2.926 0.378 6.109 -1.1739 2.3182 0.1923 26DPPE P 3036 3.023 0.647 6.030 -0.4189 -0.1262 -0.0451 26DPPE O13 3037 3.135 0.737 6.068 -0.3761 0.0011 -0.4765 26DPPE O14 3038 2.887 0.676 6.081 -0.4607 0.0688 -0.2676 26DPPE O11 3039 3.015 0.642 5.871 -0.0085 0.5059 -0.0885 26DPPE O12 3040 3.077 0.499 6.061 0.2114 0.0619 -0.2236 26DPPE C1 3041 2.935 0.540 5.811 0.4249 -0.0277 0.2343 26DPPE HA 3042 2.852 0.588 5.755 -0.0241 -0.1465 0.7858 26DPPE HB 3043 2.880 0.473 5.881 0.0555 -0.8461 -0.8141 26DPPE C2 3044 3.006 0.442 5.716 0.2463 -0.2570 0.3371 26DPPE HS 3045 3.068 0.385 5.789 2.0874 1.6820 0.3722 26DPPE O21 3046 3.085 0.512 5.620 0.6325 -0.3527 0.5848 26DPPE C21 3047 3.159 0.419 5.560 0.0064 -0.1941 -0.4601 26DPPE O22 3048 3.182 0.301 5.585 -0.0285 -0.0465 0.2950 26DPPE C22 3049 3.225 0.488 5.442 0.0044 0.1722 -0.2496 26DPPE H2R 3050 3.330 0.505 5.475 -1.3434 1.3993 4.0615 26DPPE H2S 3051 3.172 0.585 5.447 0.2441 0.4511 -2.3737 26DPPE C3 3052 2.900 0.346 5.661 -0.3370 0.5379 0.0552 26DPPE HX 3053 2.824 0.344 5.742 0.1362 0.5146 0.4972 26DPPE HY 3054 2.929 0.240 5.642 -0.1794 0.3042 1.5212 26DPPE O31 3055 2.824 0.387 5.546 -0.2154 0.2681 -0.1238 26DPPE C31 3056 2.730 0.299 5.512 -0.0461 -0.0757 0.2782 26DPPE O32 3057 2.679 0.211 5.579 0.1563 -0.5320 -0.1582 26DPPE C32 3058 2.680 0.337 5.373 0.1063 -0.0263 0.2375 26DPPE H2X 3059 2.758 0.398 5.323 2.1319 -1.7571 1.1086 26DPPE H2Y 3060 2.579 0.381 5.384 0.1498 0.1548 -0.0817 26DPPE C23 3061 3.216 0.417 5.306 0.7076 0.1200 -0.2734 26DPPE H3R 3062 3.244 0.498 5.236 1.6657 -0.1293 -0.1974 26DPPE H3S 3063 3.108 0.404 5.284 0.3785 0.3449 1.0585 26DPPE C24 3064 3.292 0.287 5.282 0.5992 0.0889 -0.4487 26DPPE H4R 3065 3.234 0.237 5.202 0.9874 0.1774 -0.7907 26DPPE H4S 3066 3.279 0.226 5.375 -1.4436 0.7215 -0.2669 26DPPE C25 3067 3.440 0.313 5.253 0.5838 0.7549 0.0536 26DPPE H5R 3068 3.499 0.376 5.323 2.8228 -0.8083 -0.3075 26DPPE H5S 3069 3.449 0.358 5.152 1.1026 0.5254 -0.0058 26DPPE C26 3070 3.528 0.188 5.242 0.2369 0.4927 0.2204 26DPPE H6R 3071 3.536 0.140 5.341 2.7372 0.7262 0.1906 26DPPE H6S 3072 3.632 0.213 5.210 -0.3951 1.9245 -0.8217 26DPPE C27 3073 3.456 0.080 5.161 0.3522 0.3583 0.2990 26DPPE H7R 3074 3.363 0.047 5.212 0.9881 0.4122 1.5630 26DPPE H7S 3075 3.520 -0.010 5.174 3.3674 2.5008 1.5520 26DPPE C28 3076 3.433 0.104 5.012 -0.2041 -0.2807 0.2749 26DPPE H8R 3077 3.367 0.192 5.001 4.5554 3.7916 0.6165 26DPPE H8S 3078 3.392 0.016 4.958 -0.4243 0.6644 -1.1438 26DPPE C29 3079 3.556 0.156 4.937 -0.3170 -0.2626 0.1023 26DPPE H9R 3080 3.637 0.081 4.947 -1.6827 -1.5734 1.9790 26DPPE H9S 3081 3.591 0.250 4.984 0.2178 -1.6130 2.5941 26DPPE C210 3082 3.546 0.173 4.785 -0.1321 0.1075 0.1298 26DPPE H10R 3083 3.629 0.239 4.752 -0.6790 0.4093 -0.6764 26DPPE H10S 3084 3.453 0.228 4.761 -0.6903 -0.7568 0.2397 26DPPE C211 3085 3.539 0.035 4.718 -0.4143 0.2296 -0.0900 26DPPE H11R 3086 3.436 -0.005 4.722 -0.0759 -0.5287 1.8906 26DPPE H11S 3087 3.615 -0.033 4.762 -1.0860 -0.9591 -0.7196 26DPPE C212 3088 3.564 0.031 4.567 -1.1080 0.1707 -0.2043 26DPPE H12R 3089 3.670 0.062 4.556 -1.1125 0.8012 1.3180 26DPPE H12S 3090 3.504 0.108 4.514 0.5728 1.7530 0.1009 26DPPE C213 3091 3.544 -0.107 4.504 0.0343 -0.1738 0.1583 26DPPE H13R 3092 3.433 -0.117 4.510 -0.0400 -0.2534 -1.0020 26DPPE H13S 3093 3.596 -0.177 4.572 0.5740 -1.3945 -1.4402 26DPPE C214 3094 3.608 -0.110 4.365 0.2896 0.0841 0.2694 26DPPE H14R 3095 3.718 -0.103 4.371 0.2435 0.9125 0.2491 26DPPE H14S 3096 3.579 -0.024 4.299 1.6636 0.3157 -0.0536 26DPPE C215 3097 3.558 -0.230 4.285 0.7466 -0.3339 0.6093 26DPPE H15R 3098 3.447 -0.223 4.288 0.8944 3.0898 1.2852 26DPPE H15S 3099 3.587 -0.325 4.335 -0.9670 -1.4834 -0.4720 26DPPE C216 3100 3.593 -0.237 4.136 0.2633 0.3540 0.4578 26DPPE H16R 3101 3.526 -0.309 4.085 -1.8577 -0.0796 3.5869 26DPPE H16S 3102 3.697 -0.275 4.125 -0.4518 -1.0655 -2.1218 26DPPE H16T 3103 3.590 -0.137 4.088 0.1234 1.3081 2.3409 26DPPE C33 3104 2.649 0.209 5.295 1.0863 -0.3840 0.4230 26DPPE H3X 3105 2.552 0.165 5.325 0.3936 1.1303 0.4724 26DPPE H3Y 3106 2.732 0.136 5.311 -0.9657 -3.4564 -1.8434 26DPPE C34 3107 2.639 0.229 5.144 0.3012 0.1698 0.5456 26DPPE H4X 3108 2.742 0.246 5.106 0.8535 -1.5268 1.2078 26DPPE H4Y 3109 2.579 0.321 5.129 0.2652 0.4278 2.0961 26DPPE C35 3110 2.563 0.109 5.087 -0.3474 1.0067 -0.3963 26DPPE H5X 3111 2.457 0.118 5.118 -0.4507 0.2545 -0.5183 26DPPE H5Y 3112 2.605 0.014 5.127 -0.0241 0.7888 -1.2327 26DPPE C36 3113 2.567 0.094 4.935 -0.9123 0.2549 -0.3424 26DPPE H6X 3114 2.672 0.073 4.906 -1.8127 -1.8460 -2.4340 26DPPE H6Y 3115 2.539 0.188 4.883 0.5611 0.5720 -0.5906 26DPPE C37 3116 2.472 -0.019 4.894 0.1062 -0.5370 -0.5592 26DPPE H7X 3117 2.367 -0.006 4.928 0.4595 -1.9906 1.2735 26DPPE H7Y 3118 2.500 -0.119 4.933 -1.6759 -0.5671 0.7800 26DPPE C38 3119 2.464 -0.023 4.741 0.1151 0.1057 -0.5801 26DPPE H8X 3120 2.424 0.075 4.707 -2.0530 -0.4605 0.1282 26DPPE H8Y 3121 2.399 -0.109 4.714 -0.8279 -0.1639 2.1655 26DPPE C39 3122 2.590 -0.069 4.668 0.7599 0.8606 0.0412 26DPPE H9X 3123 2.621 -0.161 4.721 -0.4314 -0.0632 -0.8272 26DPPE H9Y 3124 2.663 0.014 4.684 -0.2103 1.7667 -0.1071 26DPPE C310 3125 2.584 -0.108 4.520 -0.2480 -0.0415 0.3090 26DPPE H10X 3126 2.597 -0.017 4.458 -1.5168 -0.4031 -0.5254 26DPPE H10Y 3127 2.492 -0.162 4.489 0.9068 -1.2182 -1.2294 26DPPE C311 3128 2.699 -0.197 4.473 -0.5491 -0.0851 -0.3562 26DPPE H11X 3129 2.686 -0.291 4.531 1.5496 0.0145 0.3613 26DPPE H11Y 3130 2.798 -0.151 4.491 0.0960 -0.9769 -1.4715 26DPPE C312 3131 2.710 -0.213 4.321 0.3512 0.5675 -0.3652 26DPPE H12X 3132 2.784 -0.286 4.283 0.3105 0.2993 0.0694 26DPPE H12Y 3133 2.726 -0.114 4.273 2.8912 0.9523 1.0831 26DPPE C313 3134 2.573 -0.263 4.273 0.3062 0.3366 0.0007 26DPPE H13X 3135 2.488 -0.192 4.280 0.0413 0.3160 -2.2963 26DPPE H13Y 3136 2.545 -0.345 4.343 -1.6882 1.4496 0.5780 26DPPE C314 3137 2.565 -0.293 4.123 -0.1492 0.2706 0.0378 26DPPE H14X 3138 2.638 -0.375 4.106 -0.4806 -0.3843 1.5866 26DPPE H14Y 3139 2.593 -0.210 4.055 0.3352 0.3813 0.3610 26DPPE C315 3140 2.429 -0.356 4.092 0.2523 -0.2784 -0.6220 26DPPE H15X 3141 2.362 -0.268 4.085 3.7893 2.7734 0.5735 26DPPE H15Y 3142 2.406 -0.417 4.181 -1.8402 -0.6792 -1.3814 26DPPE C316 3143 2.417 -0.443 3.966 -0.0244 -0.2799 -0.5953 26DPPE H16X 3144 2.430 -0.379 3.876 2.0572 0.2311 0.0030 26DPPE H16Y 3145 2.496 -0.521 3.970 -1.8253 -2.2663 -1.7027 26DPPE H16Z 3146 2.316 -0.489 3.961 0.0550 -0.5624 0.1902 27DPPE N 3147 0.660 2.603 6.295 -0.1514 -0.6047 -0.5087 27DPPE HN1 3148 0.753 2.607 6.339 -0.7140 1.3428 0.6243 27DPPE HN2 3149 0.594 2.653 6.358 -2.4304 -0.8982 -2.4988 27DPPE HN3 3150 0.644 2.501 6.292 1.4887 -1.0252 2.2139 27DPPE C12 3151 0.663 2.652 6.152 -0.4779 0.3890 -0.1857 27DPPE H12A 3152 0.771 2.654 6.128 0.0240 0.3043 1.8754 27DPPE H12B 3153 0.614 2.751 6.139 -1.4826 -0.4049 -3.5653 27DPPE C11 3154 0.591 2.556 6.057 -0.3288 -0.2490 0.3393 27DPPE H11A 3155 0.632 2.453 6.060 -3.2476 -1.5909 -0.9865 27DPPE H11B 3156 0.602 2.594 5.953 0.7020 0.3518 0.6561 27DPPE P 3157 0.396 2.429 6.153 -0.0614 0.2797 -0.0105 27DPPE O13 3158 0.250 2.430 6.175 -0.0612 -0.1194 0.0145 27DPPE O14 3159 0.481 2.402 6.271 0.7255 0.0263 -0.6218 27DPPE O11 3160 0.412 2.311 6.046 -0.0940 -0.0484 0.3455 27DPPE O12 3161 0.450 2.562 6.083 -0.4451 0.2448 -0.3758 27DPPE C1 3162 0.459 2.179 6.078 0.4445 0.0299 -0.1182 27DPPE HA 3163 0.420 2.102 6.007 2.4712 -1.7171 0.5722 27DPPE HB 3164 0.420 2.151 6.178 -1.5518 -1.3181 -1.2002 27DPPE C2 3165 0.608 2.153 6.053 0.5850 0.3065 0.4310 27DPPE HS 3166 0.665 2.184 6.144 0.0634 -0.5884 1.0734 27DPPE O21 3167 0.638 2.227 5.935 0.2707 -0.3104 -0.0393 27DPPE C21 3168 0.768 2.229 5.907 0.2288 -0.1439 -0.2317 27DPPE O22 3169 0.856 2.179 5.975 -0.2524 0.0046 0.5169 27DPPE C22 3170 0.788 2.309 5.779 -0.4861 -0.0538 -0.2886 27DPPE H2R 3171 0.895 2.337 5.771 -0.7939 0.8407 -1.5544 27DPPE H2S 3172 0.723 2.399 5.775 -0.8472 -0.2940 0.1481 27DPPE C3 3173 0.646 2.005 6.036 0.3311 0.2521 0.3353 27DPPE HX 3174 0.583 1.934 6.093 0.9631 -0.1824 0.5080 27DPPE HY 3175 0.750 1.995 6.076 0.1886 -1.5434 0.3536 27DPPE O31 3176 0.645 1.980 5.895 -0.3244 0.0285 0.3774 27DPPE C31 3177 0.538 1.917 5.847 0.0654 -0.2671 -0.1064 27DPPE O32 3178 0.460 1.858 5.920 0.3992 -0.0498 0.4352 27DPPE C32 3179 0.511 1.949 5.701 -0.7781 0.0536 0.1162 27DPPE H2X 3180 0.600 1.906 5.651 0.0269 0.8506 0.8422 27DPPE H2Y 3181 0.513 2.059 5.693 0.2939 -0.0890 -2.9759 27DPPE C23 3182 0.772 2.220 5.655 -0.0716 -0.0791 -0.3245 27DPPE H3R 3183 0.665 2.196 5.635 0.1479 -0.0663 -1.5783 27DPPE H3S 3184 0.823 2.122 5.671 0.6431 -0.1379 -2.6625 27DPPE C24 3185 0.820 2.296 5.532 -0.4969 -0.2900 -0.6233 27DPPE H4R 3186 0.921 2.337 5.556 -0.9220 0.1258 0.4912 27DPPE H4S 3187 0.761 2.386 5.508 -1.3237 -0.9045 -0.9567 27DPPE C25 3188 0.808 2.216 5.402 -0.3315 -0.3149 -0.6245 27DPPE H5R 3189 0.712 2.166 5.378 -1.1034 1.0301 -0.4476 27DPPE H5S 3190 0.890 2.143 5.413 1.3531 1.5416 -0.2287 27DPPE C26 3191 0.829 2.299 5.275 0.0710 0.2661 -0.1839 27DPPE H6R 3192 0.938 2.322 5.272 0.5082 -1.5424 0.7752 27DPPE H6S 3193 0.772 2.395 5.274 -0.2788 0.1072 1.7352 27DPPE C27 3194 0.813 2.227 5.141 -0.2577 0.3628 -0.1980 27DPPE H7R 3195 0.710 2.194 5.117 0.1249 -2.4342 1.4603 27DPPE H7S 3196 0.880 2.138 5.140 -0.1188 0.4690 -0.4028 27DPPE C28 3197 0.870 2.315 5.030 -0.5355 0.5518 -0.1924 27DPPE H8R 3198 0.974 2.347 5.053 -0.2787 1.9090 -2.8432 27DPPE H8S 3199 0.810 2.408 5.030 1.1067 1.6630 0.3246 27DPPE C29 3200 0.880 2.249 4.892 0.1541 -0.4242 0.3094 27DPPE H9R 3201 0.774 2.237 4.862 0.3499 -1.8669 0.1530 27DPPE H9S 3202 0.915 2.144 4.897 1.0863 -0.0898 1.3300 27DPPE C210 3203 0.957 2.329 4.786 -0.3630 -0.0894 0.1842 27DPPE H10R 3204 1.067 2.320 4.798 -0.1618 -2.3147 -2.2774 27DPPE H10S 3205 0.927 2.436 4.791 -1.5118 -0.4334 1.0416 27DPPE C211 3206 0.905 2.297 4.645 -0.1574 -0.3362 0.1639 27DPPE H11R 3207 0.891 2.187 4.646 -4.5159 0.0214 2.4639 27DPPE H11S 3208 0.979 2.331 4.569 0.3034 0.1910 0.8332 27DPPE C212 3209 0.768 2.359 4.615 -0.2218 -0.4931 0.1323 27DPPE H12R 3210 0.703 2.364 4.705 -1.1100 0.1018 -0.5318 27DPPE H12S 3211 0.722 2.297 4.536 -0.4575 0.7487 -0.7205 27DPPE C213 3212 0.783 2.500 4.559 0.0894 -0.7323 -0.3933 27DPPE H13R 3213 0.860 2.498 4.479 2.1602 -0.6272 1.4852 27DPPE H13S 3214 0.821 2.568 4.639 1.3013 -2.4942 0.5945 27DPPE C214 3215 0.650 2.553 4.505 0.1790 0.2288 0.2923 27DPPE H14R 3216 0.626 2.487 4.419 0.5293 1.6087 -0.9111 27DPPE H14S 3217 0.656 2.657 4.465 -2.6372 0.5881 0.6264 27DPPE C215 3218 0.535 2.557 4.605 0.2360 -0.1777 0.3767 27DPPE H15R 3219 0.519 2.455 4.645 0.2902 0.5510 2.3679 27DPPE H15S 3220 0.556 2.620 4.694 -1.8648 0.5924 0.3748 27DPPE C216 3221 0.404 2.615 4.551 0.6915 0.6079 0.0865 27DPPE H16R 3222 0.412 2.700 4.481 1.2853 -0.1811 -0.8350 27DPPE H16S 3223 0.338 2.638 4.638 -0.0104 1.8595 -0.7532 27DPPE H16T 3224 0.350 2.537 4.493 0.5488 0.8494 -0.1045 27DPPE C33 3225 0.373 1.889 5.671 -0.6076 -0.4084 0.2367 27DPPE H3X 3226 0.298 1.954 5.722 0.3778 1.5041 -0.6440 27DPPE H3Y 3227 0.371 1.786 5.712 2.1772 -0.4213 0.4834 27DPPE C34 3228 0.333 1.886 5.523 -0.2823 -0.2635 0.1465 27DPPE H4X 3229 0.352 1.982 5.470 2.0456 -0.9955 -0.4773 27DPPE H4Y 3230 0.224 1.870 5.530 -0.2638 -0.0701 1.0466 27DPPE C35 3231 0.395 1.768 5.449 0.2853 0.2076 -0.1364 27DPPE H5X 3232 0.356 1.681 5.505 1.8162 0.6826 1.7776 27DPPE H5Y 3233 0.506 1.778 5.451 0.3167 -0.2828 1.7385 27DPPE C36 3234 0.363 1.767 5.299 0.2950 0.0748 -0.1374 27DPPE H6X 3235 0.426 1.847 5.255 -0.6562 0.4188 -0.9241 27DPPE H6Y 3236 0.259 1.802 5.278 -0.0097 0.3380 1.6338 27DPPE C37 3237 0.396 1.641 5.219 -0.5472 -0.4440 0.3102 27DPPE H7X 3238 0.331 1.556 5.249 0.3972 -0.2088 3.2732 27DPPE H7Y 3239 0.503 1.616 5.232 -0.1687 1.1502 0.4489 27DPPE C38 3240 0.360 1.663 5.071 0.2454 0.4847 0.2481 27DPPE H8X 3241 0.436 1.742 5.053 0.6599 0.7758 2.8249 27DPPE H8Y 3242 0.261 1.713 5.073 0.1577 0.4428 -1.5157 27DPPE C39 3243 0.361 1.544 4.975 0.1316 0.6670 0.0198 27DPPE H9X 3244 0.293 1.576 4.893 1.5670 1.4074 -0.9352 27DPPE H9Y 3245 0.330 1.450 5.025 0.3455 0.3384 -0.4567 27DPPE C310 3246 0.505 1.519 4.930 -0.2092 0.8001 -1.1841 27DPPE H10X 3247 0.572 1.516 5.019 0.8454 -3.6114 -1.9026 27DPPE H10Y 3248 0.550 1.602 4.873 -0.3006 0.4413 -1.7815 27DPPE C311 3249 0.521 1.395 4.842 -0.0125 -0.4724 0.5852 27DPPE H11X 3250 0.472 1.317 4.904 0.3995 -1.9687 -0.9086 27DPPE H11Y 3251 0.627 1.371 4.823 0.9442 3.6806 -0.3058 27DPPE C312 3252 0.445 1.399 4.709 -0.2230 -0.1003 0.7150 27DPPE H12X 3253 0.340 1.390 4.742 -0.7127 2.9473 0.3280 27DPPE H12Y 3254 0.468 1.316 4.639 -0.1232 2.2484 -2.2105 27DPPE C313 3255 0.436 1.532 4.634 -0.7210 -0.3725 0.2888 27DPPE H13X 3256 0.537 1.578 4.628 -0.5570 -0.8891 -2.1516 27DPPE H13Y 3257 0.364 1.594 4.690 -0.1148 -0.4409 1.1591 27DPPE C314 3258 0.391 1.507 4.490 0.4277 0.0061 -0.1503 27DPPE H14X 3259 0.322 1.420 4.493 -1.4021 1.3984 -0.3068 27DPPE H14Y 3260 0.478 1.495 4.421 0.3180 0.8746 -0.4485 27DPPE C315 3261 0.312 1.619 4.422 0.7021 0.2272 -0.1068 27DPPE H15X 3262 0.216 1.620 4.477 0.3877 -0.2254 -0.6376 27DPPE H15Y 3263 0.296 1.600 4.313 -0.4150 -2.4073 0.4349 27DPPE C316 3264 0.362 1.763 4.436 0.0696 0.4853 -0.4621 27DPPE H16X 3265 0.467 1.764 4.401 -0.1406 1.1576 -1.0988 27DPPE H16Y 3266 0.375 1.800 4.540 -1.1953 -0.1581 -0.0504 27DPPE H16Z 3267 0.297 1.837 4.385 -0.5405 1.4301 1.5719 28DPPE N 3268 3.666 5.893 6.563 0.3238 -0.8074 -0.3714 28DPPE HN1 3269 3.768 5.909 6.571 -0.0975 1.3372 2.2500 28DPPE HN2 3270 3.620 5.930 6.649 -0.4676 -1.3612 -0.5454 28DPPE HN3 3271 3.634 5.795 6.551 -1.7154 -0.4147 1.2937 28DPPE C12 3272 3.614 5.960 6.438 0.4022 0.0843 0.0680 28DPPE H12A 3273 3.628 6.070 6.445 1.5425 -0.0131 -0.5384 28DPPE H12B 3274 3.503 5.950 6.449 -0.0316 3.7393 0.3799 28DPPE C11 3275 3.661 5.889 6.311 0.1260 0.0517 -0.0169 28DPPE H11A 3276 3.651 5.953 6.221 -1.1777 -1.6551 -1.1521 28DPPE H11B 3277 3.590 5.807 6.287 -1.9461 1.1129 1.9874 28DPPE P 3278 3.902 5.878 6.217 0.1382 0.0268 0.0232 28DPPE O13 3279 4.030 5.815 6.258 0.3793 0.2228 -0.4192 28DPPE O14 3280 3.907 6.024 6.195 0.0204 -0.0497 -0.5335 28DPPE O11 3281 3.838 5.808 6.087 0.3354 -0.0576 -0.0286 28DPPE O12 3282 3.793 5.835 6.325 0.1478 0.1286 0.0731 28DPPE C1 3283 3.798 5.672 6.075 0.4241 -0.1391 0.5414 28DPPE HA 3284 3.715 5.664 6.001 -0.8975 1.8604 1.7144 28DPPE HB 3285 3.749 5.637 6.168 0.4643 -2.3837 -0.2228 28DPPE C2 3286 3.917 5.580 6.041 -0.2961 -0.6787 -0.6072 28DPPE HS 3287 3.981 5.582 6.132 -0.0243 -0.0645 -0.8051 28DPPE O21 3288 3.991 5.624 5.927 0.1360 0.0775 -0.0446 28DPPE C21 3289 4.111 5.564 5.925 0.2177 0.2388 -0.0246 28DPPE O22 3290 4.155 5.490 6.011 -0.1171 0.2176 0.1308 28DPPE C22 3291 4.183 5.609 5.798 0.4721 -0.3929 -0.1077 28DPPE H2R 3292 4.208 5.717 5.807 -1.2268 -0.0537 1.1931 28DPPE H2S 3293 4.119 5.596 5.708 1.5900 3.0010 -1.5571 28DPPE C3 3294 3.868 5.436 6.022 -0.4853 -0.7268 0.1790 28DPPE HX 3295 3.813 5.402 6.112 -1.6849 0.2000 -0.1661 28DPPE HY 3296 3.959 5.375 6.004 -0.2611 -0.2146 -0.4657 28DPPE O31 3297 3.792 5.437 5.900 -0.1362 0.1641 -0.0355 28DPPE C31 3298 3.720 5.326 5.895 -0.0644 0.0995 0.3297 28DPPE O32 3299 3.711 5.245 5.987 0.7074 -0.5115 -0.1221 28DPPE C32 3300 3.644 5.316 5.763 0.3473 0.0510 0.0977 28DPPE H2X 3301 3.718 5.255 5.706 2.9157 -0.4773 3.6201 28DPPE H2Y 3302 3.620 5.416 5.720 -1.3029 -1.0372 -1.6823 28DPPE C23 3303 4.307 5.522 5.780 0.6614 -0.1285 -0.0820 28DPPE H3R 3304 4.282 5.417 5.806 1.6432 0.1498 2.3248 28DPPE H3S 3305 4.382 5.537 5.861 1.9859 -0.9338 -1.1065 28DPPE C24 3306 4.368 5.528 5.640 -0.1169 0.0049 -0.4184 28DPPE H4R 3307 4.379 5.632 5.604 0.7705 0.0696 0.0173 28DPPE H4S 3308 4.294 5.487 5.567 1.3468 -0.0870 -1.9049 28DPPE C25 3309 4.501 5.453 5.636 -0.1091 -0.0051 -0.0276 28DPPE H5R 3310 4.480 5.352 5.678 0.3104 -0.0515 0.0732 28DPPE H5S 3311 4.581 5.509 5.688 -0.5955 2.1503 -1.4750 28DPPE C26 3312 4.560 5.432 5.496 0.1320 -0.0846 0.0854 28DPPE H6R 3313 4.664 5.392 5.501 -0.1884 -0.9319 0.1042 28DPPE H6S 3314 4.575 5.532 5.449 -1.9434 0.5618 0.6955 28DPPE C27 3315 4.465 5.353 5.406 0.2817 0.1808 -0.3127 28DPPE H7R 3316 4.369 5.408 5.402 -1.4897 -2.7302 -3.0733 28DPPE H7S 3317 4.433 5.263 5.464 0.8023 -0.4400 -0.9665 28DPPE C28 3318 4.520 5.323 5.267 0.2215 -0.1811 -0.2614 28DPPE H8R 3319 4.433 5.299 5.202 -1.9255 0.8736 2.0424 28DPPE H8S 3320 4.581 5.232 5.283 0.3789 -0.1579 -0.7051 28DPPE C29 3321 4.608 5.432 5.205 0.1902 0.0899 0.1647 28DPPE H9R 3322 4.690 5.458 5.275 -0.5228 0.9882 0.6788 28DPPE H9S 3323 4.546 5.522 5.186 2.5427 2.0427 1.2372 28DPPE C210 3324 4.682 5.379 5.081 0.4953 0.1799 0.3062 28DPPE H10R 3325 4.610 5.357 5.000 -0.8196 0.9497 1.2162 28DPPE H10S 3326 4.731 5.287 5.118 -2.5361 -0.5669 2.9553 28DPPE C211 3327 4.787 5.472 5.020 0.0232 0.2229 -0.4545 28DPPE H11R 3328 4.863 5.501 5.096 -0.6469 -0.3033 0.4402 28DPPE H11S 3329 4.726 5.555 4.978 -0.1236 2.0310 2.9250 28DPPE C212 3330 4.879 5.393 4.928 0.3096 -0.1845 0.1734 28DPPE H12R 3331 4.822 5.335 4.852 -0.7832 -0.0739 0.8872 28DPPE H12S 3332 4.934 5.325 4.996 4.2382 2.1471 -0.3946 28DPPE C213 3333 4.981 5.465 4.839 -0.1763 0.2130 -0.0642 28DPPE H13R 3334 5.042 5.512 4.920 -1.4035 0.9992 0.4522 28DPPE H13S 3335 4.932 5.541 4.774 -0.4855 -0.0271 -0.1152 28DPPE C214 3336 5.069 5.366 4.764 0.3322 0.0046 0.7909 28DPPE H14R 3337 5.129 5.315 4.842 0.0499 -2.9174 -0.7882 28DPPE H14S 3338 5.001 5.289 4.723 0.1290 1.0062 -0.8659 28DPPE C215 3339 5.173 5.432 4.672 0.2081 0.3029 0.8604 28DPPE H15R 3340 5.232 5.508 4.726 2.0521 0.2281 -0.9121 28DPPE H15S 3341 5.108 5.468 4.590 0.3265 -2.1010 -0.4035 28DPPE C216 3342 5.278 5.334 4.617 -0.4557 -0.2924 0.6380 28DPPE H16R 3343 5.358 5.302 4.685 2.0123 -1.8163 -2.7192 28DPPE H16S 3344 5.329 5.381 4.530 -1.3785 -0.7590 -0.1820 28DPPE H16T 3345 5.230 5.242 4.578 0.4278 -0.7064 0.5061 28DPPE C33 3346 3.512 5.244 5.785 0.2826 -0.0923 -0.7178 28DPPE H3X 3347 3.461 5.262 5.882 -1.4235 -1.6701 -1.2408 28DPPE H3Y 3348 3.519 5.133 5.778 2.1017 -0.2403 1.9894 28DPPE C34 3349 3.407 5.297 5.687 -0.1810 -0.4808 -0.4415 28DPPE H4X 3350 3.411 5.407 5.698 0.9964 -0.5695 0.1359 28DPPE H4Y 3351 3.302 5.273 5.714 -0.5611 0.2715 -1.1826 28DPPE C35 3352 3.430 5.277 5.537 0.4207 -0.1040 -0.4041 28DPPE H5X 3353 3.329 5.280 5.490 0.1985 1.7544 0.0927 28DPPE H5Y 3354 3.472 5.178 5.511 -0.3842 -0.1902 -1.4800 28DPPE C36 3355 3.499 5.396 5.468 0.3920 0.3737 0.3827 28DPPE H6X 3356 3.513 5.479 5.541 1.2957 0.7181 -0.1728 28DPPE H6Y 3357 3.429 5.433 5.391 0.7481 -0.7563 -0.5077 28DPPE C37 3358 3.620 5.342 5.392 -0.1416 -0.6026 0.2059 28DPPE H7X 3359 3.598 5.239 5.356 0.9858 -0.4095 -1.1365 28DPPE H7Y 3360 3.702 5.351 5.465 -0.2757 1.0900 0.1814 28DPPE C38 3361 3.650 5.428 5.269 1.1921 -0.2802 0.7450 28DPPE H8X 3362 3.675 5.531 5.303 -0.9909 -0.3380 2.7724 28DPPE H8Y 3363 3.552 5.432 5.217 1.8233 -0.7199 -0.5382 28DPPE C39 3364 3.752 5.358 5.178 0.4413 0.2040 -0.5016 28DPPE H9X 3365 3.727 5.252 5.201 0.5892 0.5515 1.4971 28DPPE H9Y 3366 3.850 5.381 5.224 -0.5070 4.8784 -0.3698 28DPPE C310 3367 3.732 5.396 5.032 -0.3082 0.2597 -0.3913 28DPPE H10X 3368 3.832 5.375 4.988 0.0235 0.0551 0.4464 28DPPE H10Y 3369 3.706 5.503 5.022 0.6241 0.6434 1.0499 28DPPE C311 3370 3.632 5.308 4.956 -0.1415 -0.2268 -0.0527 28DPPE H11X 3371 3.536 5.342 4.999 1.0587 1.4505 1.4423 28DPPE H11Y 3372 3.645 5.205 4.994 0.1901 0.4209 1.6948 28DPPE C312 3373 3.617 5.324 4.804 0.1788 0.3551 -0.0267 28DPPE H12X 3374 3.715 5.307 4.755 1.1610 2.0543 1.2187 28DPPE H12Y 3375 3.600 5.434 4.795 0.7041 0.4142 -0.2959 28DPPE C313 3376 3.500 5.249 4.740 0.1872 0.1203 0.2306 28DPPE H13X 3377 3.408 5.290 4.788 0.3800 0.2046 0.5344 28DPPE H13Y 3378 3.485 5.140 4.754 -0.0857 0.1268 -0.0144 28DPPE C314 3379 3.498 5.274 4.589 -0.0168 -0.3695 0.1523 28DPPE H14X 3380 3.561 5.196 4.542 1.1831 0.9377 -0.4772 28DPPE H14Y 3381 3.558 5.367 4.578 -2.8673 1.6982 0.9025 28DPPE C315 3382 3.356 5.270 4.532 -0.1246 0.5787 0.3415 28DPPE H15X 3383 3.305 5.361 4.570 0.0719 0.6179 0.5134 28DPPE H15Y 3384 3.312 5.173 4.563 0.4808 0.5730 1.2209 28DPPE C316 3385 3.354 5.283 4.380 0.2555 0.5193 0.3322 28DPPE H16X 3386 3.253 5.298 4.337 -0.0409 -2.2626 -0.1687 28DPPE H16Y 3387 3.399 5.189 4.340 1.2490 1.1038 0.0171 28DPPE H16Z 3388 3.428 5.360 4.350 -0.8076 1.6746 0.6174 29DPPE N 3389 2.760 1.745 6.137 -0.0539 -0.4407 0.4648 29DPPE HN1 3390 2.789 1.844 6.145 -0.7812 -0.1469 -0.3344 29DPPE HN2 3391 2.694 1.722 6.213 1.8080 -0.7878 2.0470 29DPPE HN3 3392 2.848 1.689 6.143 1.0790 1.3804 1.6794 29DPPE C12 3393 2.690 1.713 6.006 0.3347 0.5177 0.0111 29DPPE H12A 3394 2.638 1.802 5.965 -0.6739 -0.2896 -0.4954 29DPPE H12B 3395 2.776 1.704 5.937 1.3399 2.0862 0.9946 29DPPE C11 3396 2.595 1.597 6.035 0.4940 0.4394 0.2266 29DPPE H11A 3397 2.545 1.576 5.938 1.2833 -1.4704 0.1844 29DPPE H11B 3398 2.518 1.631 6.108 0.2671 0.9950 -0.2639 29DPPE P 3399 2.591 1.355 6.111 -0.2071 -0.2868 -0.1021 29DPPE O13 3400 2.463 1.393 6.174 -0.0702 0.0371 -0.0191 29DPPE O14 3401 2.678 1.274 6.200 0.1818 0.0453 -0.1750 29DPPE O11 3402 2.567 1.280 5.972 -0.3857 -0.1338 -0.1544 29DPPE O12 3403 2.676 1.486 6.077 -0.2471 -0.3102 -0.2901 29DPPE C1 3404 2.658 1.286 5.862 -0.5097 -0.1208 -0.2559 29DPPE HA 3405 2.709 1.384 5.863 -3.6976 1.6846 -0.6511 29DPPE HB 3406 2.602 1.294 5.766 -0.5846 0.7986 -0.1403 29DPPE C2 3407 2.774 1.186 5.849 0.1755 0.6788 -0.3440 29DPPE HS 3408 2.835 1.191 5.942 0.4926 -0.4667 -0.4701 29DPPE O21 3409 2.857 1.223 5.739 0.8714 0.1052 -0.0199 29DPPE C21 3410 2.958 1.136 5.724 0.7113 0.0125 -0.6032 29DPPE O22 3411 2.992 1.050 5.803 -0.5252 0.2468 0.2207 29DPPE C22 3412 3.038 1.172 5.600 0.7746 -0.0680 -0.5860 29DPPE H2R 3413 3.142 1.193 5.631 0.0406 1.7311 0.8726 29DPPE H2S 3414 2.994 1.262 5.552 -0.9661 -0.4880 0.1455 29DPPE C3 3415 2.703 1.052 5.826 -0.0776 0.7046 0.2618 29DPPE HX 3416 2.618 1.044 5.897 2.0787 -1.0996 2.8914 29DPPE HY 3417 2.775 0.979 5.870 0.2950 1.3694 0.7638 29DPPE O31 3418 2.678 1.026 5.688 -0.2057 0.1730 0.3808 29DPPE C31 3419 2.667 0.895 5.665 0.1195 0.1675 0.2444 29DPPE O32 3420 2.659 0.812 5.754 0.0421 -0.4132 -0.3001 29DPPE C32 3421 2.686 0.861 5.518 0.1523 0.0710 0.2705 29DPPE H2X 3422 2.715 0.954 5.465 -0.6575 0.6439 0.7979 29DPPE H2Y 3423 2.592 0.815 5.479 0.8673 -1.1511 -0.0510 29DPPE C23 3424 3.055 1.061 5.497 0.5462 -0.6973 0.0494 29DPPE H3R 3425 2.950 1.042 5.469 -0.0994 0.7407 1.3845 29DPPE H3S 3426 3.088 0.960 5.532 -1.8356 -1.9821 -1.1771 29DPPE C24 3427 3.144 1.111 5.383 0.2108 -0.3323 -0.0519 29DPPE H4R 3428 3.245 1.134 5.423 -0.3150 -0.7430 1.6045 29DPPE H4S 3429 3.116 1.211 5.344 -0.4136 0.7405 2.8813 29DPPE C25 3430 3.144 1.011 5.267 0.7786 -0.5312 0.1189 29DPPE H5R 3431 3.043 1.012 5.222 1.5387 0.8477 -1.6887 29DPPE H5S 3432 3.138 0.910 5.313 -1.5292 1.0555 3.7580 29DPPE C26 3433 3.258 1.028 5.166 0.2248 -0.0259 -0.4281 29DPPE H6R 3434 3.352 1.037 5.224 -0.2590 1.3998 0.1895 29DPPE H6S 3435 3.242 1.124 5.112 -2.4432 1.0058 1.9208 29DPPE C27 3436 3.264 0.916 5.062 -0.1671 -0.6652 0.2296 29DPPE H7R 3437 3.329 0.842 5.115 1.3363 -0.4236 -1.1903 29DPPE H7S 3438 3.313 0.954 4.970 -0.5673 -1.8607 -0.5138 29DPPE C28 3439 3.128 0.870 5.010 -0.0315 -0.0700 -0.6788 29DPPE H8R 3440 3.060 0.949 4.973 -0.5059 0.5543 1.3885 29DPPE H8S 3441 3.079 0.810 5.091 -1.5072 0.1488 -1.3756 29DPPE C29 3442 3.143 0.770 4.895 1.1530 0.2337 -0.8030 29DPPE H9R 3443 3.201 0.816 4.812 2.7193 0.2678 0.2846 29DPPE H9S 3444 3.045 0.745 4.847 0.4527 0.5963 0.3949 29DPPE C210 3445 3.202 0.636 4.937 0.2192 0.1399 0.2424 29DPPE H10R 3446 3.116 0.609 5.003 -1.5525 0.7301 -1.7293 29DPPE H10S 3447 3.297 0.641 4.994 0.2785 -1.8759 0.4177 29DPPE C211 3448 3.206 0.535 4.822 -0.6305 -0.2048 0.5075 29DPPE H11R 3449 3.128 0.551 4.745 -0.3032 0.3798 0.2939 29DPPE H11S 3450 3.188 0.428 4.849 0.1022 -0.4867 -0.0896 29DPPE C212 3451 3.339 0.532 4.748 -0.7650 0.1916 0.2471 29DPPE H12R 3452 3.414 0.476 4.809 0.0060 1.1898 0.2442 29DPPE H12S 3453 3.384 0.631 4.724 -2.1936 0.7923 -0.0112 29DPPE C213 3454 3.331 0.451 4.618 0.0344 0.4770 0.0130 29DPPE H13R 3455 3.252 0.495 4.554 -1.7210 -0.3358 1.5316 29DPPE H13S 3456 3.295 0.349 4.643 3.3402 -0.4071 1.8641 29DPPE C214 3457 3.460 0.454 4.535 -0.0225 0.4973 -0.0739 29DPPE H14R 3458 3.549 0.408 4.584 -1.6686 -1.0356 1.6743 29DPPE H14S 3459 3.497 0.554 4.504 -0.2039 0.0106 -2.0066 29DPPE C215 3460 3.448 0.396 4.394 -0.1068 -0.2718 0.2417 29DPPE H15R 3461 3.393 0.299 4.394 1.2923 -1.0814 0.4441 29DPPE H15S 3462 3.543 0.367 4.346 0.9218 4.0016 -0.7457 29DPPE C216 3463 3.382 0.495 4.298 0.3152 0.1125 0.3465 29DPPE H16R 3464 3.444 0.586 4.282 -0.4438 0.6366 0.3172 29DPPE H16S 3465 3.280 0.522 4.331 0.4464 -1.0825 1.8562 29DPPE H16T 3466 3.367 0.446 4.199 -0.8426 0.7751 0.1804 29DPPE C33 3467 2.795 0.755 5.502 0.0951 0.0563 -0.0326 29DPPE H3X 3468 2.762 0.653 5.529 0.5159 -0.6149 -1.9212 29DPPE H3Y 3469 2.881 0.772 5.572 0.6474 -2.4436 -0.0239 29DPPE C34 3470 2.866 0.739 5.368 0.1250 -0.2974 0.0240 29DPPE H4X 3471 2.941 0.659 5.383 1.0348 0.4408 -0.4668 29DPPE H4Y 3472 2.929 0.830 5.353 0.0357 -0.1852 0.3288 29DPPE C35 3473 2.762 0.713 5.258 0.1442 0.2121 -0.1177 29DPPE H5X 3474 2.716 0.810 5.228 -0.3032 0.1073 0.2239 29DPPE H5Y 3475 2.675 0.650 5.284 -0.9882 2.2668 1.3921 29DPPE C36 3476 2.822 0.656 5.129 0.1118 -0.5392 0.1991 29DPPE H6X 3477 2.904 0.585 5.155 0.9256 -0.2731 -1.5300 29DPPE H6Y 3478 2.882 0.729 5.071 2.1923 -1.8144 0.5911 29DPPE C37 3479 2.727 0.591 5.029 0.2521 -0.2180 -0.1413 29DPPE H7X 3480 2.656 0.673 5.005 0.2396 0.7845 2.9991 29DPPE H7Y 3481 2.674 0.506 5.076 -2.7227 -0.9336 -4.2616 29DPPE C38 3482 2.791 0.537 4.900 0.1525 -0.6181 -0.0244 29DPPE H8X 3483 2.844 0.442 4.922 -1.2558 -1.8182 -1.6159 29DPPE H8Y 3484 2.862 0.611 4.857 -1.3655 0.5240 -0.6460 29DPPE C39 3485 2.684 0.504 4.796 0.2814 -0.3187 -0.2537 29DPPE H9X 3486 2.630 0.427 4.855 1.7837 1.9389 4.6115 29DPPE H9Y 3487 2.745 0.468 4.711 0.0237 0.5659 -0.8277 29DPPE C310 3488 2.587 0.615 4.755 0.3829 -0.3008 -0.4439 29DPPE H10X 3489 2.652 0.704 4.740 0.0451 -0.0526 -0.4364 29DPPE H10Y 3490 2.522 0.658 4.834 1.9736 1.8373 -0.1843 29DPPE C311 3491 2.497 0.575 4.638 -0.0375 -0.3781 -0.0945 29DPPE H11X 3492 2.420 0.501 4.670 0.3299 0.4496 3.1212 29DPPE H11Y 3493 2.561 0.533 4.558 0.5718 0.0723 0.1543 29DPPE C312 3494 2.421 0.685 4.564 0.0180 0.0317 0.4505 29DPPE H12X 3495 2.496 0.750 4.514 1.2300 -0.7469 1.2131 29DPPE H12Y 3496 2.365 0.746 4.638 0.2271 1.4588 -0.5234 29DPPE C313 3497 2.320 0.663 4.451 -0.2388 0.2040 0.6466 29DPPE H13X 3498 2.230 0.603 4.478 -0.3679 0.2791 0.3897 29DPPE H13Y 3499 2.368 0.608 4.367 0.1735 -2.7709 2.6568 29DPPE C314 3500 2.277 0.792 4.381 -0.2325 -0.2020 -0.1162 29DPPE H14X 3501 2.371 0.849 4.364 -0.0977 -0.3287 0.1905 29DPPE H14Y 3502 2.219 0.847 4.459 0.8632 1.0519 -0.1523 29DPPE C315 3503 2.187 0.783 4.258 -0.4430 -0.1134 0.0297 29DPPE H15X 3504 2.240 0.735 4.173 -0.2689 0.3802 -0.1431 29DPPE H15Y 3505 2.162 0.886 4.225 -2.2129 0.3111 2.4173 29DPPE C316 3506 2.055 0.707 4.278 -0.3395 -0.4497 -0.5352 29DPPE H16X 3507 2.075 0.598 4.282 3.8052 0.1321 0.0389 29DPPE H16Y 3508 1.986 0.738 4.197 0.4943 1.3635 -0.6161 29DPPE H16Z 3509 2.011 0.730 4.377 -2.9660 -3.6691 -0.8015 30DPPE N 3510 2.403 1.074 6.558 0.2769 0.2751 0.5775 30DPPE HN1 3511 2.383 1.175 6.539 1.8784 0.5103 0.0336 30DPPE HN2 3512 2.502 1.073 6.589 1.4330 1.9459 -2.5503 30DPPE HN3 3513 2.398 1.029 6.464 2.1308 -0.4115 0.7793 30DPPE C12 3514 2.295 1.013 6.644 -0.1312 -0.2182 -0.2685 30DPPE H12A 3515 2.326 0.912 6.679 -2.0259 -0.2361 1.5279 30DPPE H12B 3516 2.280 1.082 6.730 1.3509 1.0529 -0.9708 30DPPE C11 3517 2.162 1.018 6.569 -0.1027 0.4031 -0.2814 30DPPE H11A 3518 2.081 0.982 6.635 0.1445 2.0783 1.0103 30DPPE H11B 3519 2.166 0.952 6.480 1.2416 -1.6490 1.2247 30DPPE P 3520 1.995 1.177 6.455 -0.1931 -0.1046 -0.0833 30DPPE O13 3521 1.981 1.323 6.436 -0.0072 -0.0671 0.0627 30DPPE O14 3522 1.885 1.115 6.532 0.1508 -0.4034 0.1702 30DPPE O11 3523 2.005 1.103 6.314 0.2239 -0.2428 0.0193 30DPPE O12 3524 2.136 1.152 6.526 -0.2767 0.5646 0.3271 30DPPE C1 3525 2.137 1.121 6.262 0.3063 0.0572 0.3315 30DPPE HA 3526 2.209 1.038 6.279 -0.0334 0.3138 3.7588 30DPPE HB 3527 2.172 1.226 6.274 -0.0006 0.1151 0.7539 30DPPE C2 3528 2.126 1.105 6.110 0.1304 -0.1797 0.3687 30DPPE HS 3529 2.089 1.204 6.075 0.1180 0.2750 1.6357 30DPPE O21 3530 2.028 1.004 6.085 0.3830 -0.3791 0.1834 30DPPE C21 3531 1.942 1.029 5.987 0.3587 0.3928 0.3978 30DPPE O22 3532 1.945 1.120 5.905 -0.7872 0.5140 0.4753 30DPPE C22 3533 1.843 0.913 5.988 0.9283 -0.1082 -0.2825 30DPPE H2R 3534 1.773 0.928 6.072 -0.4089 0.3290 -1.4389 30DPPE H2S 3535 1.895 0.816 5.997 1.3182 -0.0988 -2.0727 30DPPE C3 3536 2.262 1.082 6.041 0.0613 -0.3595 0.2916 30DPPE HX 3537 2.307 0.990 6.085 -0.1336 -1.3306 -1.4709 30DPPE HY 3538 2.326 1.170 6.066 -1.0496 -0.0389 2.2191 30DPPE O31 3539 2.251 1.051 5.902 -0.2992 0.0028 0.2383 30DPPE C31 3540 2.250 1.159 5.824 -0.6423 -0.1364 0.0478 30DPPE O32 3541 2.250 1.272 5.870 0.4975 -0.1358 0.0705 30DPPE C32 3542 2.291 1.120 5.683 -0.3068 0.4024 -0.0073 30DPPE H2X 3543 2.250 1.019 5.664 -0.2643 0.1317 1.2292 30DPPE H2Y 3544 2.401 1.106 5.688 -0.4820 -2.4388 -1.8112 30DPPE C23 3545 1.760 0.914 5.860 0.0302 0.3017 0.2950 30DPPE H3R 3546 1.828 0.915 5.772 0.2053 0.2615 0.4318 30DPPE H3S 3547 1.705 1.011 5.865 -0.0355 0.2251 1.2968 30DPPE C24 3548 1.667 0.792 5.864 0.2296 0.1199 -0.3967 30DPPE H4R 3549 1.605 0.811 5.954 0.8369 -2.8017 0.7310 30DPPE H4S 3550 1.725 0.701 5.888 1.8465 0.4092 -2.8315 30DPPE C25 3551 1.585 0.757 5.740 0.3245 0.0068 -0.4270 30DPPE H5R 3552 1.652 0.704 5.668 -0.9060 0.4036 -1.9184 30DPPE H5S 3553 1.543 0.856 5.712 2.4015 1.7188 2.0176 30DPPE C26 3554 1.471 0.658 5.762 0.1203 0.4133 0.3698 30DPPE H6R 3555 1.412 0.657 5.856 -1.4403 -3.1853 -0.4654 30DPPE H6S 3556 1.513 0.555 5.759 1.8618 1.1236 -0.8821 30DPPE C27 3557 1.362 0.667 5.655 0.1229 0.8534 0.4026 30DPPE H7R 3558 1.317 0.768 5.644 -1.4557 0.0006 -1.7516 30DPPE H7S 3559 1.274 0.603 5.675 -0.4210 1.2681 -0.5862 30DPPE C28 3560 1.411 0.649 5.511 -0.2284 -0.3810 0.4262 30DPPE H8R 3561 1.468 0.554 5.506 0.9001 0.0527 3.3000 30DPPE H8S 3562 1.486 0.726 5.484 0.4382 -0.8880 0.7850 30DPPE C29 3563 1.291 0.648 5.415 -0.2905 -0.1426 0.5015 30DPPE H9R 3564 1.212 0.722 5.438 -1.0584 -0.6881 -0.3349 30DPPE H9S 3565 1.246 0.546 5.413 -2.0000 0.5911 0.2882 30DPPE C210 3566 1.325 0.689 5.272 0.1920 0.5247 0.7969 30DPPE H10R 3567 1.390 0.778 5.279 -1.0734 1.7185 -1.4061 30DPPE H10S 3568 1.235 0.715 5.212 0.1920 -0.1112 0.5006 30DPPE C211 3569 1.406 0.584 5.195 -0.3224 0.6122 0.1189 30DPPE H11R 3570 1.337 0.506 5.158 -0.9874 0.6530 1.2256 30DPPE H11S 3571 1.484 0.533 5.256 1.9413 -0.1989 -3.1813 30DPPE C212 3572 1.488 0.637 5.077 0.3367 0.1385 0.3591 30DPPE H12R 3573 1.539 0.554 5.022 -0.8571 -0.2548 -0.1853 30DPPE H12S 3574 1.570 0.698 5.122 0.4188 -0.0849 0.5137 30DPPE C213 3575 1.410 0.717 4.973 0.0218 -1.0014 -0.2986 30DPPE H13R 3576 1.369 0.810 5.019 3.7260 0.9044 -0.5137 30DPPE H13S 3577 1.323 0.653 4.944 0.6961 -1.5807 -1.0663 30DPPE C214 3578 1.489 0.763 4.850 -0.1853 0.8345 0.2179 30DPPE H14R 3579 1.545 0.678 4.806 1.1760 0.4400 2.5448 30DPPE H14S 3580 1.563 0.842 4.875 -2.5181 3.6703 -1.2579 30DPPE C215 3581 1.400 0.832 4.747 0.4003 0.7734 -0.3292 30DPPE H15R 3582 1.337 0.911 4.793 -1.4794 -0.9294 0.1418 30DPPE H15S 3583 1.321 0.758 4.720 0.8767 0.0811 0.1403 30DPPE C216 3584 1.483 0.871 4.624 0.4383 -0.0810 -0.5840 30DPPE H16R 3585 1.413 0.926 4.557 -1.3515 -0.5120 0.8510 30DPPE H16S 3586 1.524 0.782 4.572 0.5510 -1.0347 1.0796 30DPPE H16T 3587 1.565 0.945 4.636 0.0366 0.5735 -1.6810 30DPPE C33 3588 2.256 1.215 5.568 -0.1145 0.5711 0.0749 30DPPE H3X 3589 2.293 1.314 5.604 -0.7968 1.4021 -1.4166 30DPPE H3Y 3590 2.145 1.225 5.566 0.0453 2.9424 -0.1345 30DPPE C34 3591 2.313 1.166 5.435 -0.3441 0.1570 0.1284 30DPPE H4X 3592 2.295 1.057 5.424 -1.3462 0.2688 0.5743 30DPPE H4Y 3593 2.424 1.173 5.445 -0.0766 -1.3848 -1.3577 30DPPE C35 3594 2.248 1.250 5.326 -0.5632 -0.0105 0.1296 30DPPE H5X 3595 2.267 1.359 5.338 1.4165 -0.4457 1.3876 30DPPE H5Y 3596 2.138 1.235 5.335 -0.9863 1.9796 -1.0417 30DPPE C36 3597 2.279 1.187 5.190 -0.1126 -0.0556 0.2542 30DPPE H6X 3598 2.241 1.083 5.192 0.4645 -0.3441 -1.8111 30DPPE H6Y 3599 2.385 1.190 5.157 -0.8935 2.6891 -2.5440 30DPPE C37 3600 2.201 1.251 5.075 0.0580 -0.7845 -0.2731 30DPPE H7X 3601 2.094 1.233 5.099 -0.5256 1.3224 -1.0850 30DPPE H7Y 3602 2.216 1.199 4.978 -0.1263 0.8781 -1.2344 30DPPE C38 3603 2.232 1.397 5.042 -0.2773 -0.5783 0.3142 30DPPE H8X 3604 2.338 1.408 5.011 -0.6693 -0.6018 -1.0864 30DPPE H8Y 3605 2.217 1.452 5.138 -1.1349 2.7958 -1.5647 30DPPE C39 3606 2.156 1.464 4.927 0.4608 0.0066 0.1530 30DPPE H9X 3607 2.179 1.572 4.928 0.2197 0.2066 -3.5425 30DPPE H9Y 3608 2.049 1.451 4.954 1.0317 -0.8339 2.1662 30DPPE C310 3609 2.192 1.412 4.788 0.1270 -0.2316 0.1523 30DPPE H10X 3610 2.178 1.302 4.787 -1.5585 -0.0684 -2.0998 30DPPE H10Y 3611 2.296 1.435 4.754 0.6384 -2.2408 0.2721 30DPPE C311 3612 2.101 1.472 4.680 -0.1545 -0.3285 0.3342 30DPPE H11X 3613 2.116 1.581 4.663 -0.2402 -0.1467 1.3857 30DPPE H11Y 3614 1.995 1.463 4.710 -0.6585 0.0667 -1.2267 30DPPE C312 3615 2.114 1.411 4.541 -0.5632 0.3833 -0.0242 30DPPE H12X 3616 2.106 1.300 4.544 -0.6688 0.4101 0.6622 30DPPE H12Y 3617 2.216 1.441 4.508 0.3397 -1.0097 1.3808 30DPPE C313 3618 2.026 1.465 4.428 -0.7405 -0.1989 -0.1725 30DPPE H13X 3619 2.062 1.411 4.338 1.6703 -0.5372 0.9132 30DPPE H13Y 3620 2.052 1.573 4.437 0.2157 -0.5125 1.1311 30DPPE C314 3621 1.878 1.434 4.446 -0.6828 -0.3379 0.0607 30DPPE H14X 3622 1.858 1.466 4.551 -0.8084 3.2230 -0.9426 30DPPE H14Y 3623 1.857 1.325 4.446 -0.2223 -0.4297 -0.7532 30DPPE C315 3624 1.786 1.508 4.349 -0.0435 0.3839 -0.0022 30DPPE H15X 3625 1.811 1.500 4.241 -1.2187 -0.8130 -0.2144 30DPPE H15Y 3626 1.798 1.614 4.378 -0.1253 0.0567 1.2567 30DPPE C316 3627 1.638 1.477 4.370 0.1023 0.4229 1.1306 30DPPE H16X 3628 1.623 1.367 4.365 1.2508 0.2437 1.4580 30DPPE H16Y 3629 1.589 1.528 4.284 1.9334 -1.6488 -1.2871 30DPPE H16Z 3630 1.602 1.525 4.464 -1.1456 0.6299 0.5651 31DPPE N 3631 0.551 3.488 6.262 -0.2697 0.2764 0.2693 31DPPE HN1 3632 0.474 3.558 6.269 -0.6682 -0.3224 3.3008 31DPPE HN2 3633 0.498 3.399 6.275 -0.8102 0.8576 2.4069 31DPPE HN3 3634 0.610 3.500 6.347 -0.4016 -1.8491 0.7216 31DPPE C12 3635 0.641 3.509 6.143 0.2600 0.0802 0.6310 31DPPE H12A 3636 0.717 3.429 6.144 -0.8835 -1.0842 -0.7857 31DPPE H12B 3637 0.581 3.487 6.052 0.3810 2.9332 -0.2612 31DPPE C11 3638 0.700 3.650 6.137 0.0372 0.1469 -0.0542 31DPPE H11A 3639 0.771 3.646 6.051 -1.7392 -1.1906 -1.5525 31DPPE H11B 3640 0.758 3.657 6.231 -1.2949 -0.4613 0.8370 31DPPE P 3641 0.636 3.902 6.151 0.2082 -0.0274 -0.0460 31DPPE O13 3642 0.641 3.934 6.296 0.8031 -0.1549 -0.0376 31DPPE O14 3643 0.550 3.983 6.062 0.0387 -0.1644 -0.0096 31DPPE O11 3644 0.785 3.908 6.094 -0.0752 -0.2052 -0.8179 31DPPE O12 3645 0.596 3.748 6.129 -0.0100 0.0733 -0.3502 31DPPE C1 3646 0.865 4.015 6.145 0.3468 -0.3979 -1.0681 31DPPE HA 3647 0.962 3.975 6.180 0.5218 1.2894 0.5355 31DPPE HB 3648 0.826 4.061 6.238 -2.2550 -2.1982 -1.1655 31DPPE C2 3649 0.900 4.117 6.035 0.1035 -0.0822 -0.8535 31DPPE HS 3650 0.813 4.186 6.029 1.8417 2.3665 0.2909 31DPPE O21 3651 0.922 4.039 5.917 0.7766 -0.1802 -0.6642 31DPPE C21 3652 0.848 4.063 5.809 0.0556 0.2852 -0.0786 31DPPE O22 3653 0.787 4.165 5.784 0.4001 0.5818 0.2782 31DPPE C22 3654 0.854 3.937 5.723 0.0518 0.2892 -0.0847 31DPPE H2R 3655 0.746 3.913 5.717 -0.1659 1.0439 0.6173 31DPPE H2S 3656 0.906 3.852 5.772 -0.1613 0.2158 0.0158 31DPPE C3 3657 1.029 4.188 6.079 0.2333 -0.6511 -0.2925 31DPPE HX 3658 1.120 4.123 6.077 3.4137 3.4142 -1.4416 31DPPE HY 3659 1.025 4.229 6.182 0.3662 0.5470 -0.7456 31DPPE O31 3660 1.060 4.294 5.988 0.0149 -0.4176 -0.0932 31DPPE C31 3661 0.986 4.403 6.011 -0.3076 -0.6055 -0.2388 31DPPE O32 3662 0.929 4.425 6.117 0.4410 1.1133 -0.1663 31DPPE C32 3663 0.981 4.492 5.888 -0.2797 0.1338 0.2884 31DPPE H2X 3664 0.976 4.601 5.911 0.5647 1.1339 -3.5068 31DPPE H2Y 3665 0.886 4.466 5.837 -0.3134 -1.9280 1.3152 31DPPE C23 3666 0.918 3.964 5.586 0.1391 -0.1693 -0.1337 31DPPE H3R 3667 1.026 3.985 5.604 0.1096 0.1867 -0.3831 31DPPE H3S 3668 0.872 4.058 5.551 1.1518 0.1157 -0.7458 31DPPE C24 3669 0.898 3.846 5.490 -0.5503 -0.0507 -0.1406 31DPPE H4R 3670 0.793 3.811 5.493 -1.1429 1.1943 -2.7734 31DPPE H4S 3671 0.954 3.762 5.535 1.0434 0.3154 -1.3318 31DPPE C25 3672 0.942 3.883 5.348 -0.6278 -0.2010 -0.2039 31DPPE H5R 3673 1.040 3.937 5.355 -0.7950 0.0439 0.2971 31DPPE H5S 3674 0.875 3.957 5.300 2.0254 2.8076 0.3877 31DPPE C26 3675 0.951 3.762 5.255 0.4976 0.0874 -0.4959 31DPPE H6R 3676 0.844 3.737 5.240 0.1324 2.8877 -3.6999 31DPPE H6S 3677 1.009 3.675 5.292 1.0176 -0.8905 -3.3922 31DPPE C27 3678 1.011 3.793 5.118 0.8995 -0.0656 -0.3542 31DPPE H7R 3679 1.106 3.850 5.129 0.9598 0.7550 -4.0735 31DPPE H7S 3680 0.942 3.861 5.065 1.6050 0.9446 0.0031 31DPPE C28 3681 1.036 3.667 5.035 -0.2473 -0.6428 0.1539 31DPPE H8R 3682 0.946 3.603 5.046 0.8345 -2.3161 -0.2800 31DPPE H8S 3683 1.118 3.602 5.073 0.6313 1.7538 2.7136 31DPPE C29 3684 1.056 3.705 4.888 -0.2241 -0.7931 0.1173 31DPPE H9R 3685 1.152 3.659 4.859 -1.5397 -2.1889 -2.2452 31DPPE H9S 3686 1.065 3.816 4.887 -0.9548 -0.6858 -2.6458 31DPPE C210 3687 0.957 3.642 4.791 0.2104 -0.2786 -0.6685 31DPPE H10R 3688 0.859 3.666 4.837 0.5800 -0.0652 0.0082 31DPPE H10S 3689 0.983 3.535 4.807 0.2117 -0.0986 0.6327 31DPPE C211 3690 0.962 3.687 4.645 -0.9384 0.4444 -0.4991 31DPPE H11R 3691 1.065 3.660 4.612 -0.2737 -0.1416 1.8659 31DPPE H11S 3692 0.951 3.797 4.642 0.5793 0.6786 1.0667 31DPPE C212 3693 0.844 3.620 4.573 -0.5647 -0.7555 -0.0319 31DPPE H12R 3694 0.847 3.691 4.487 1.0142 -0.4101 0.2667 31DPPE H12S 3695 0.756 3.631 4.639 -0.5601 1.1581 -0.2782 31DPPE C213 3696 0.858 3.482 4.509 -0.2244 -0.8349 0.2113 31DPPE H13R 3697 0.766 3.469 4.448 -0.5669 -1.1019 0.7775 31DPPE H13S 3698 0.849 3.402 4.585 0.7626 -2.4120 -1.2661 31DPPE C214 3699 0.984 3.456 4.425 0.0856 0.1038 0.3677 31DPPE H14R 3700 1.072 3.470 4.491 -0.2466 -0.1213 0.8690 31DPPE H14S 3701 1.003 3.520 4.337 1.5037 0.0258 0.5988 31DPPE C215 3702 0.998 3.309 4.384 -0.1516 0.1831 -0.0051 31DPPE H15R 3703 0.908 3.282 4.325 0.1536 1.0718 -0.9134 31DPPE H15S 3704 0.996 3.246 4.476 3.2457 1.1351 0.8791 31DPPE C216 3705 1.124 3.270 4.308 0.2096 0.5066 0.4202 31DPPE H16R 3706 1.113 3.331 4.216 -1.3345 -0.1658 0.1271 31DPPE H16S 3707 1.113 3.162 4.285 -1.8774 0.2209 2.4586 31DPPE H16T 3708 1.217 3.295 4.363 0.0900 -2.7211 2.3685 31DPPE C33 3709 1.092 4.460 5.787 -0.2747 0.4167 0.2013 31DPPE H3X 3710 1.099 4.351 5.768 -0.8905 0.0358 1.9448 31DPPE H3Y 3711 1.190 4.485 5.831 -0.3304 -0.1865 0.6812 31DPPE C34 3712 1.059 4.524 5.652 0.2189 0.0000 -0.1190 31DPPE H4X 3713 1.020 4.628 5.648 1.0212 0.3244 0.1420 31DPPE H4Y 3714 0.974 4.459 5.624 -0.4525 1.4272 -1.5626 31DPPE C35 3715 1.175 4.505 5.554 0.2743 0.0680 -0.0672 31DPPE H5X 3716 1.134 4.476 5.455 -0.0414 -0.1511 0.1275 31DPPE H5Y 3717 1.228 4.413 5.585 -0.8166 -1.4376 -2.3182 31DPPE C36 3718 1.270 4.625 5.539 -0.3008 0.5101 -0.2272 31DPPE H6X 3719 1.294 4.667 5.639 1.8338 -0.5056 -0.2627 31DPPE H6Y 3720 1.212 4.707 5.491 0.9716 1.6119 0.0732 31DPPE C37 3721 1.399 4.591 5.464 -0.1770 0.8927 -0.1865 31DPPE H7X 3722 1.454 4.505 5.506 -0.0113 0.6406 -0.9049 31DPPE H7Y 3723 1.476 4.669 5.481 -1.5835 2.4421 -0.6318 31DPPE C38 3724 1.382 4.572 5.313 0.7209 0.1905 -0.1997 31DPPE H8X 3725 1.311 4.649 5.277 0.7410 -0.9465 -2.8985 31DPPE H8Y 3726 1.312 4.490 5.287 -1.6608 2.1179 -0.2206 31DPPE C39 3727 1.513 4.568 5.233 0.6876 0.3867 -0.2640 31DPPE H9X 3728 1.575 4.493 5.287 0.5812 2.2849 2.6978 31DPPE H9Y 3729 1.571 4.663 5.239 -0.8614 1.4210 -0.9993 31DPPE C310 3730 1.496 4.506 5.094 0.2464 0.1360 -0.1020 31DPPE H10X 3731 1.462 4.401 5.108 2.3789 -0.5791 0.1740 31DPPE H10Y 3732 1.594 4.494 5.044 0.7524 1.4307 0.5247 31DPPE C311 3733 1.399 4.586 5.007 0.0601 -0.3134 -0.3121 31DPPE H11X 3734 1.447 4.685 4.989 -3.6866 1.6827 -0.1491 31DPPE H11Y 3735 1.301 4.595 5.057 0.6737 -2.0558 1.3073 31DPPE C312 3736 1.376 4.527 4.868 0.0097 -0.1279 -0.3833 31DPPE H12X 3737 1.302 4.444 4.860 -0.6197 0.5407 -2.2957 31DPPE H12Y 3738 1.469 4.476 4.834 0.0477 -1.5266 1.6917 31DPPE C313 3739 1.335 4.634 4.766 -0.2225 -0.0341 -0.1930 31DPPE H13X 3740 1.413 4.712 4.756 0.0349 -0.2090 0.4064 31DPPE H13Y 3741 1.239 4.683 4.792 -0.8084 -0.6774 -1.0757 31DPPE C314 3742 1.325 4.586 4.621 -0.5697 0.2189 -0.2543 31DPPE H14X 3743 1.279 4.489 4.591 0.0236 -0.1698 0.0657 31DPPE H14Y 3744 1.429 4.574 4.584 -0.9367 0.0996 -1.3021 31DPPE C315 3745 1.275 4.703 4.536 -0.9119 -0.0039 -0.3615 31DPPE H15X 3746 1.354 4.778 4.555 -0.7088 0.0546 -1.3613 31DPPE H15Y 3747 1.176 4.735 4.574 -1.0665 -1.6358 0.7405 31DPPE C316 3748 1.281 4.685 4.384 -0.2866 -0.7995 -0.2496 31DPPE H16X 3749 1.386 4.660 4.359 -0.4833 -0.4052 -1.5329 31DPPE H16Y 3750 1.251 4.777 4.330 -1.2356 0.1350 1.7736 31DPPE H16Z 3751 1.223 4.600 4.342 -0.6007 -0.5818 -0.2555 32DPPE N 3752 0.423 4.175 5.947 -0.3079 -0.3017 -0.0916 32DPPE HN1 3753 0.482 4.105 5.997 2.9079 2.6521 0.6457 32DPPE HN2 3754 0.337 4.185 6.004 -1.3425 1.1540 -1.7935 32DPPE HN3 3755 0.391 4.157 5.850 1.5629 2.6433 -1.4051 32DPPE C12 3756 0.501 4.304 5.949 0.1119 -0.5581 0.5406 32DPPE H12A 3757 0.424 4.382 5.927 0.1757 -0.7790 -0.4983 32DPPE H12B 3758 0.571 4.298 5.863 1.1397 0.7733 1.2459 32DPPE C11 3759 0.572 4.334 6.081 -0.0956 0.2723 0.4748 32DPPE H11A 3760 0.645 4.253 6.103 -0.2649 -0.3156 -1.0068 32DPPE H11B 3761 0.499 4.332 6.165 -1.8146 2.1777 -0.8947 32DPPE P 3762 0.548 4.589 6.096 0.2668 0.2420 0.3076 32DPPE O13 3763 0.625 4.690 6.173 -0.2561 0.7193 0.2086 32DPPE O14 3764 0.420 4.547 6.157 -0.0422 1.0576 0.2266 32DPPE O11 3765 0.519 4.645 5.949 -0.1912 0.1158 0.3477 32DPPE O12 3766 0.639 4.459 6.074 0.0741 0.1561 0.0040 32DPPE C1 3767 0.629 4.669 5.860 -0.5305 -0.7185 -0.3098 32DPPE HA 3768 0.622 4.617 5.762 0.4801 0.6124 -1.1320 32DPPE HB 3769 0.726 4.633 5.900 -0.1987 -1.3349 -1.5959 32DPPE C2 3770 0.644 4.817 5.822 -0.2532 -0.6250 0.1658 32DPPE HS 3771 0.629 4.877 5.915 -1.4221 0.4140 -0.6558 32DPPE O21 3772 0.536 4.842 5.732 -0.0334 -0.2392 0.0047 32DPPE C21 3773 0.469 4.954 5.761 -0.1908 -0.3676 0.1408 32DPPE O22 3774 0.483 5.022 5.861 -0.1394 0.2639 -0.2881 32DPPE C22 3775 0.360 4.977 5.657 -0.0790 -0.1431 0.0725 32DPPE H2R 3776 0.297 5.068 5.668 1.3208 0.9262 -0.5286 32DPPE H2S 3777 0.284 4.897 5.670 -0.8171 -0.0794 -3.0384 32DPPE C3 3778 0.779 4.859 5.761 -0.1069 -0.5363 0.5439 32DPPE HX 3779 0.860 4.848 5.836 0.0239 0.1771 0.5162 32DPPE HY 3780 0.767 4.968 5.744 -0.6546 -0.7237 -0.3721 32DPPE O31 3781 0.813 4.793 5.638 -0.5478 -0.1754 0.2232 32DPPE C31 3782 0.836 4.868 5.530 -0.2187 -0.0765 0.3601 32DPPE O32 3783 0.851 4.988 5.538 -0.0782 -0.0623 -0.0931 32DPPE C32 3784 0.830 4.776 5.409 -0.5229 0.2620 0.1192 32DPPE H2X 3785 0.727 4.739 5.394 -0.6604 -0.0043 1.6455 32DPPE H2Y 3786 0.905 4.695 5.414 -3.0574 -2.2035 0.3005 32DPPE C23 3787 0.407 4.989 5.512 -0.4376 0.0715 -0.0279 32DPPE H3R 3788 0.490 4.921 5.486 -0.4615 -0.8187 2.0034 32DPPE H3S 3789 0.439 5.093 5.490 1.2560 0.2691 2.8314 32DPPE C24 3790 0.292 4.953 5.418 -0.5090 0.0312 0.0742 32DPPE H4R 3791 0.196 4.987 5.462 0.9491 0.1167 3.5134 32DPPE H4S 3792 0.278 4.844 5.407 -1.3529 0.2022 -0.6676 32DPPE C25 3793 0.321 5.010 5.279 -0.1352 0.1853 0.2137 32DPPE H5R 3794 0.419 4.969 5.244 0.3346 0.1055 1.5752 32DPPE H5S 3795 0.321 5.121 5.280 -0.3385 0.1800 0.7689 32DPPE C26 3796 0.212 4.962 5.183 -0.2482 -0.1034 0.4851 32DPPE H6R 3797 0.215 5.016 5.086 1.1845 1.8460 1.5405 32DPPE H6S 3798 0.115 4.984 5.233 0.3141 -0.0340 1.5733 32DPPE C27 3799 0.226 4.818 5.133 -0.0190 -0.3131 1.1488 32DPPE H7R 3800 0.224 4.745 5.217 -0.7763 -0.3039 1.1465 32DPPE H7S 3801 0.326 4.818 5.085 -0.6321 2.3332 -0.3253 32DPPE C28 3802 0.121 4.775 5.030 0.4818 0.2092 0.4110 32DPPE H8R 3803 0.144 4.667 5.015 -4.0774 -1.5823 3.8164 32DPPE H8S 3804 0.136 4.843 4.944 2.8663 1.3532 1.6163 32DPPE C29 3805 -0.023 4.789 5.078 0.3019 0.0656 -0.0739 32DPPE H9R 3806 -0.045 4.898 5.088 2.3505 0.6213 -1.1147 32DPPE H9S 3807 -0.021 4.737 5.176 2.7407 1.1302 0.5136 32DPPE C210 3808 -0.118 4.720 4.981 0.3588 0.1653 -0.2002 32DPPE H10R 3809 -0.219 4.708 5.025 0.2176 2.8501 0.4049 32DPPE H10S 3810 -0.077 4.618 4.967 -0.4105 -0.3175 0.9661 32DPPE C211 3811 -0.131 4.792 4.846 0.3263 -0.0637 -0.3204 32DPPE H11R 3812 -0.029 4.791 4.802 0.8095 4.3392 0.1887 32DPPE H11S 3813 -0.160 4.899 4.862 0.8165 0.0829 -0.3990 32DPPE C212 3814 -0.233 4.723 4.755 0.3001 0.4317 -0.6736 32DPPE H12R 3815 -0.245 4.779 4.660 -1.6280 0.9001 -0.2058 32DPPE H12S 3816 -0.318 4.725 4.827 0.4482 0.3517 -0.4922 32DPPE C213 3817 -0.203 4.581 4.708 -0.6489 -0.0907 0.2497 32DPPE H13R 3818 -0.306 4.567 4.668 -0.5100 -0.9035 0.1611 32DPPE H13S 3819 -0.176 4.516 4.794 1.5666 0.4289 -0.0174 32DPPE C214 3820 -0.094 4.576 4.601 -1.1489 -0.5067 -0.2530 32DPPE H14R 3821 0.004 4.593 4.651 0.1534 1.1595 -3.0845 32DPPE H14S 3822 -0.126 4.648 4.523 -0.0744 -2.8562 -3.0169 32DPPE C215 3823 -0.086 4.432 4.550 -0.3149 -0.6211 0.1736 32DPPE H15R 3824 -0.092 4.359 4.633 2.0848 -0.2053 0.7715 32DPPE H15S 3825 0.010 4.404 4.503 -1.0054 -1.0957 -1.0095 32DPPE C216 3826 -0.193 4.408 4.443 -0.5733 0.7365 0.1066 32DPPE H16R 3827 -0.182 4.471 4.353 -0.6278 0.0149 -0.4122 32DPPE H16S 3828 -0.295 4.424 4.485 -1.5447 0.0508 -1.8807 32DPPE H16T 3829 -0.188 4.307 4.398 -2.0764 0.3802 0.6695 32DPPE C33 3830 0.843 4.866 5.285 -0.4441 0.2710 0.1332 32DPPE H3X 3831 0.930 4.933 5.297 -0.9201 0.9101 0.0829 32DPPE H3Y 3832 0.752 4.930 5.293 -1.2693 -1.0693 3.5054 32DPPE C34 3833 0.851 4.802 5.146 0.3959 0.0638 0.2754 32DPPE H4X 3834 0.811 4.699 5.157 1.2863 -0.4588 -1.0995 32DPPE H4Y 3835 0.961 4.799 5.125 0.3759 0.2880 0.1239 32DPPE C35 3836 0.772 4.872 5.036 0.3728 -0.5458 -0.0981 32DPPE H5X 3837 0.806 4.835 4.937 -0.9281 0.7325 -1.0720 32DPPE H5Y 3838 0.795 4.981 5.044 3.2959 -1.0176 -0.9642 32DPPE C36 3839 0.623 4.839 5.047 0.1065 0.5647 -0.2091 32DPPE H6X 3840 0.571 4.924 4.998 0.6309 -0.0046 -1.8463 32DPPE H6Y 3841 0.600 4.841 5.155 2.1465 -1.8831 0.3848 32DPPE C37 3842 0.582 4.701 4.995 0.4758 0.3577 0.0433 32DPPE H7X 3843 0.481 4.672 5.031 0.9759 -0.5820 0.7260 32DPPE H7Y 3844 0.658 4.630 5.035 -0.1016 0.5886 1.6288 32DPPE C38 3845 0.572 4.695 4.842 -0.2577 -0.3693 0.1136 32DPPE H8X 3846 0.571 4.586 4.819 2.6085 -1.1531 2.8661 32DPPE H8Y 3847 0.669 4.715 4.792 -0.5534 -2.8313 -1.6805 32DPPE C39 3848 0.461 4.781 4.783 -0.2323 -0.3570 0.0835 32DPPE H9X 3849 0.479 4.882 4.825 -2.2286 -0.9499 2.6817 32DPPE H9Y 3850 0.361 4.743 4.814 0.2439 -0.0917 2.0517 32DPPE C310 3851 0.464 4.771 4.630 -0.1985 0.1032 0.0543 32DPPE H10X 3852 0.495 4.665 4.617 -0.6996 0.0262 -0.5450 32DPPE H10Y 3853 0.550 4.826 4.587 0.1579 1.2543 2.0915 32DPPE C311 3854 0.330 4.812 4.568 -0.3820 -0.2148 0.2357 32DPPE H11X 3855 0.315 4.920 4.589 -2.2003 -0.0888 -1.4667 32DPPE H11Y 3856 0.242 4.764 4.615 -0.1118 0.6650 1.6992 32DPPE C312 3857 0.318 4.787 4.417 -0.0831 0.2321 0.1351 32DPPE H12X 3858 0.389 4.707 4.391 0.4226 0.6612 0.1708 32DPPE H12Y 3859 0.358 4.868 4.352 1.4713 -0.2861 0.4171 32DPPE C313 3860 0.180 4.738 4.374 0.3434 -0.7043 -0.1863 32DPPE H13X 3861 0.105 4.819 4.391 -0.1182 -1.3409 0.9531 32DPPE H13Y 3862 0.149 4.652 4.437 2.0351 0.2402 2.0512 32DPPE C314 3863 0.162 4.708 4.225 -0.0486 0.2537 -0.3449 32DPPE H14X 3864 0.255 4.746 4.175 -0.0906 1.3577 0.3882 32DPPE H14Y 3865 0.079 4.771 4.188 1.8902 1.9837 -1.9885 32DPPE C315 3866 0.134 4.561 4.195 -0.1615 0.2575 -0.2561 32DPPE H15X 3867 0.048 4.548 4.264 -1.1131 3.1960 -0.7573 32DPPE H15Y 3868 0.217 4.496 4.231 -1.3239 -0.5726 1.0543 32DPPE C316 3869 0.096 4.523 4.052 -0.1004 0.3538 -0.2983 32DPPE H16X 3870 0.023 4.439 4.042 -0.0522 0.3452 -0.6015 32DPPE H16Y 3871 0.185 4.483 3.999 1.8086 0.6693 2.5022 32DPPE H16Z 3872 0.047 4.604 3.993 1.5043 0.5580 -1.4195 33DPPE N 3873 1.942 3.160 6.995 -0.2454 0.0407 0.2968 33DPPE HN1 3874 1.999 3.074 6.983 0.2567 0.3542 0.4191 33DPPE HN2 3875 1.994 3.249 7.008 1.6644 -0.7764 -1.1207 33DPPE HN3 3876 1.889 3.138 7.081 1.9104 -0.8119 1.4864 33DPPE C12 3877 1.843 3.170 6.881 -0.1473 0.3965 0.2406 33DPPE H12A 3878 1.795 3.268 6.902 2.0156 1.1276 2.2840 33DPPE H12B 3879 1.767 3.089 6.883 -0.0708 0.2902 -0.6542 33DPPE C11 3880 1.917 3.171 6.747 0.4774 0.7848 0.5847 33DPPE H11A 3881 1.933 3.276 6.717 2.5997 0.1669 -0.7103 33DPPE H11B 3882 1.858 3.127 6.664 0.4085 -0.2433 1.1589 33DPPE P 3883 2.137 3.113 6.629 0.0564 0.0368 0.4499 33DPPE O13 3884 2.249 3.016 6.638 -0.7751 -0.9554 0.3469 33DPPE O14 3885 2.168 3.257 6.624 0.0231 0.0498 0.5989 33DPPE O11 3886 2.050 3.075 6.501 -0.2794 0.1042 0.6561 33DPPE O12 3887 2.038 3.095 6.754 -0.0824 -0.1529 0.3135 33DPPE C1 3888 2.026 2.937 6.470 0.4170 0.1836 -0.2733 33DPPE HA 3889 1.942 2.901 6.532 0.0964 2.1871 0.5318 33DPPE HB 3890 2.119 2.886 6.500 0.2206 0.4421 0.8049 33DPPE C2 3891 2.024 2.906 6.319 -0.4585 -0.5674 -0.1143 33DPPE HS 3892 2.060 2.803 6.302 -1.3874 -0.6223 -2.0757 33DPPE O21 3893 2.114 2.984 6.240 -0.1658 -0.9425 -0.1485 33DPPE C21 3894 2.245 2.975 6.265 -0.1988 -0.7216 0.1022 33DPPE O22 3895 2.304 2.898 6.338 0.9470 -0.4826 -0.5433 33DPPE C22 3896 2.325 3.064 6.171 -0.2939 -0.2796 0.4386 33DPPE H2R 3897 2.428 3.047 6.207 -0.8838 -3.0968 0.9892 33DPPE H2S 3898 2.294 3.169 6.194 -2.8124 -1.1000 1.0949 33DPPE C3 3899 1.879 2.914 6.267 -0.5200 -0.3959 0.0802 33DPPE HX 3900 1.841 3.018 6.272 0.3975 -0.0294 -0.2915 33DPPE HY 3901 1.808 2.860 6.333 0.9248 -0.5408 1.5716 33DPPE O31 3902 1.867 2.884 6.128 -0.3282 -0.4531 0.0751 33DPPE C31 3903 1.753 2.828 6.084 -0.6161 0.3564 -0.2394 33DPPE O32 3904 1.661 2.789 6.153 -0.5442 0.7742 0.0933 33DPPE C32 3905 1.762 2.839 5.933 0.2834 -0.7891 -0.2909 33DPPE H2X 3906 1.850 2.788 5.888 -0.0259 -1.2933 -0.3411 33DPPE H2Y 3907 1.778 2.943 5.898 0.8580 -0.7875 -0.0285 33DPPE C23 3908 2.314 3.020 6.025 0.4576 0.4581 0.1498 33DPPE H3R 3909 2.205 3.013 6.002 0.2665 0.0472 1.1479 33DPPE H3S 3910 2.370 2.927 6.004 -1.2443 -0.1432 -2.2739 33DPPE C24 3911 2.385 3.130 5.945 0.4004 0.0472 -0.4731 33DPPE H4R 3912 2.483 3.155 5.992 -1.6927 3.6008 2.5507 33DPPE H4S 3913 2.320 3.216 5.968 -1.4598 -1.6484 0.9976 33DPPE C25 3914 2.384 3.106 5.794 -0.9102 0.0104 -0.4692 33DPPE H5R 3915 2.278 3.100 5.761 -1.8006 -1.4134 2.3243 33DPPE H5S 3916 2.429 3.006 5.774 1.4784 0.6844 1.0335 33DPPE C26 3917 2.449 3.216 5.710 0.4978 -0.0123 0.5416 33DPPE H6R 3918 2.559 3.208 5.722 0.6825 0.1698 -0.8692 33DPPE H6S 3919 2.402 3.315 5.731 -0.8486 -0.6027 0.4463 33DPPE C27 3920 2.417 3.189 5.563 0.6102 -0.1280 0.5384 33DPPE H7R 3921 2.456 3.273 5.501 1.8524 -0.7588 0.4284 33DPPE H7S 3922 2.307 3.181 5.549 0.7755 -1.2528 -0.3428 33DPPE C28 3923 2.478 3.065 5.498 0.4583 0.3351 -0.5119 33DPPE H8R 3924 2.442 2.978 5.556 -2.0798 -1.3349 -4.1660 33DPPE H8S 3925 2.589 3.064 5.501 0.5807 1.4130 -2.6705 33DPPE C29 3926 2.425 3.046 5.355 -0.6873 0.1669 -0.0695 33DPPE H9R 3927 2.317 3.025 5.375 -2.1113 4.9373 -1.4487 33DPPE H9S 3928 2.477 2.962 5.305 0.8794 0.8969 0.2985 33DPPE C210 3929 2.431 3.160 5.254 -0.0289 0.3699 0.1954 33DPPE H10R 3930 2.522 3.223 5.264 -0.2897 0.5871 1.4418 33DPPE H10S 3931 2.346 3.225 5.285 -1.6424 -1.6922 0.3396 33DPPE C211 3932 2.388 3.123 5.112 -1.1553 0.3445 0.5310 33DPPE H11R 3933 2.317 3.038 5.117 1.8108 -2.3140 0.2250 33DPPE H11S 3934 2.477 3.081 5.061 -0.6941 0.9748 0.7918 33DPPE C212 3935 2.346 3.240 5.022 -0.3644 0.2123 -0.0138 33DPPE H12R 3936 2.442 3.286 4.989 -0.9170 2.7775 1.7142 33DPPE H12S 3937 2.286 3.308 5.085 -0.1405 0.3515 0.0482 33DPPE C213 3938 2.271 3.183 4.902 0.0185 0.2885 -0.2929 33DPPE H13R 3939 2.209 3.266 4.861 0.4874 2.1055 2.4579 33DPPE H13S 3940 2.215 3.097 4.945 1.7125 -0.1042 1.2214 33DPPE C214 3941 2.350 3.123 4.785 0.4833 -0.3258 0.3276 33DPPE H14R 3942 2.267 3.090 4.719 0.1949 -3.9263 2.2319 33DPPE H14S 3943 2.396 3.032 4.829 -0.2848 0.0324 1.9596 33DPPE C215 3944 2.442 3.218 4.709 -0.0056 -0.2790 -0.2158 33DPPE H15R 3945 2.501 3.158 4.636 -0.3150 -2.5174 1.2762 33DPPE H15S 3946 2.520 3.270 4.769 -1.6542 0.8779 1.0441 33DPPE C216 3947 2.369 3.336 4.644 -0.1261 -0.3721 -0.2493 33DPPE H16R 3948 2.264 3.307 4.621 0.9501 -3.5704 -1.8411 33DPPE H16S 3949 2.420 3.360 4.548 0.1603 -1.2081 -0.3163 33DPPE H16T 3950 2.369 3.426 4.709 0.8809 -1.3007 1.0955 33DPPE C33 3951 1.639 2.764 5.879 -0.8146 0.3260 0.5968 33DPPE H3X 3952 1.553 2.823 5.916 0.1586 -0.0828 3.8191 33DPPE H3Y 3953 1.637 2.664 5.929 0.7927 -1.5233 -2.7220 33DPPE C34 3954 1.628 2.762 5.727 1.0944 0.7984 0.4255 33DPPE H4X 3955 1.644 2.866 5.691 2.0949 0.4786 -0.1057 33DPPE H4Y 3956 1.527 2.726 5.698 1.7881 -0.5606 -0.4157 33DPPE C35 3957 1.732 2.687 5.642 0.7141 -0.0352 0.6820 33DPPE H5X 3958 1.832 2.727 5.671 0.5975 1.8261 -1.2302 33DPPE H5Y 3959 1.715 2.723 5.538 -0.7522 0.3139 1.0119 33DPPE C36 3960 1.726 2.535 5.648 0.2253 -0.0230 0.5416 33DPPE H6X 3961 1.701 2.496 5.750 -0.1168 -1.4921 -0.0707 33DPPE H6Y 3962 1.819 2.483 5.618 -0.0098 -0.2899 0.2585 33DPPE C37 3963 1.612 2.474 5.566 -0.2081 0.8733 0.4743 33DPPE H7X 3964 1.514 2.511 5.605 -0.5161 0.4321 0.1200 33DPPE H7Y 3965 1.597 2.366 5.585 -0.5964 1.1745 2.1194 33DPPE C38 3966 1.610 2.500 5.416 0.2564 0.0262 0.3204 33DPPE H8X 3967 1.579 2.604 5.394 0.3501 0.0662 0.3763 33DPPE H8Y 3968 1.540 2.429 5.367 -1.6643 0.5486 2.1838 33DPPE C39 3969 1.747 2.481 5.350 0.3019 0.5999 0.2446 33DPPE H9X 3970 1.780 2.376 5.368 -1.1787 0.1772 0.6473 33DPPE H9Y 3971 1.828 2.547 5.389 0.5669 1.1849 -1.2409 33DPPE C310 3972 1.728 2.500 5.200 0.6224 -0.2435 0.0901 33DPPE H10X 3973 1.688 2.603 5.184 -0.6775 -1.0501 -2.5323 33DPPE H10Y 3974 1.648 2.431 5.166 0.7637 0.0793 -0.9458 33DPPE C311 3975 1.852 2.470 5.115 0.4915 0.1902 -0.2590 33DPPE H11X 3976 1.904 2.379 5.152 0.9463 0.5534 0.0111 33DPPE H11Y 3977 1.923 2.555 5.131 0.6068 0.2650 -1.1167 33DPPE C312 3978 1.822 2.452 4.966 -0.4230 0.2235 -0.0859 33DPPE H12X 3979 1.730 2.510 4.941 -0.0048 1.2415 0.6605 33DPPE H12Y 3980 1.809 2.344 4.947 0.9160 -0.0251 0.3302 33DPPE C313 3981 1.940 2.501 4.883 -0.1519 -0.3596 -0.0481 33DPPE H13X 3982 1.940 2.612 4.895 1.9608 -0.2475 -0.6308 33DPPE H13Y 3983 2.042 2.473 4.918 0.4227 1.2292 -0.3376 33DPPE C314 3984 1.927 2.483 4.732 -0.0613 -0.2961 -0.0646 33DPPE H14X 3985 1.829 2.520 4.693 -0.8603 -0.2733 1.8819 33DPPE H14Y 3986 1.937 2.376 4.703 0.4922 -0.4579 0.6908 33DPPE C315 3987 2.049 2.545 4.664 -0.1551 -0.0552 -0.0115 33DPPE H15X 3988 2.038 2.491 4.568 -2.0725 1.1885 -0.5540 33DPPE H15Y 3989 2.130 2.504 4.727 1.0242 3.5473 1.0580 33DPPE C316 3990 2.051 2.697 4.649 0.2758 -0.0864 -0.2654 33DPPE H16X 3991 2.089 2.741 4.743 0.3015 -2.7946 1.0760 33DPPE H16Y 3992 1.948 2.737 4.641 0.5973 1.3578 1.9781 33DPPE H16Z 3993 2.112 2.721 4.558 -1.1092 1.1853 -0.9022 34DPPE N 3994 3.807 4.890 6.202 -0.1075 0.1494 0.2568 34DPPE HN1 3995 3.713 4.934 6.201 -0.1022 0.3925 2.9970 34DPPE HN2 3996 3.805 4.788 6.184 -1.0744 0.3278 -0.6993 34DPPE HN3 3997 3.862 4.902 6.290 1.0437 -3.5227 0.2176 34DPPE C12 3998 3.888 4.953 6.091 -0.5550 -0.1761 -0.2570 34DPPE H12A 3999 3.824 4.922 6.005 -0.6251 -3.6975 0.9237 34DPPE H12B 4000 3.892 5.061 6.116 0.6085 -0.0826 -0.7853 34DPPE C11 4001 4.033 4.907 6.081 -0.5477 -0.0785 -0.6248 34DPPE H11A 4002 4.082 4.942 6.175 1.0648 -2.7422 -0.3369 34DPPE H11B 4003 4.094 4.955 6.002 1.3051 -3.1098 -1.2171 34DPPE P 4004 4.205 4.724 6.039 -0.0812 -0.3714 -0.1871 34DPPE O13 4005 4.230 4.583 6.076 0.2545 -0.2696 -0.0269 34DPPE O14 4006 4.297 4.827 6.092 -0.3805 -0.2438 0.0874 34DPPE O11 4007 4.212 4.738 5.880 -0.1502 -0.2236 -0.1778 34DPPE O12 4008 4.055 4.765 6.076 0.1663 -0.0219 0.4421 34DPPE C1 4009 4.335 4.790 5.827 -0.1908 -0.1254 -0.1744 34DPPE HA 4010 4.354 4.729 5.736 -1.4801 -1.5783 0.4824 34DPPE HB 4011 4.423 4.773 5.893 -0.9785 -2.0489 0.4663 34DPPE C2 4012 4.323 4.938 5.788 0.3727 0.0923 0.4615 34DPPE HS 4013 4.320 5.004 5.878 3.1225 -0.7727 1.2605 34DPPE O21 4014 4.200 4.961 5.718 0.5600 0.2040 0.1701 34DPPE C21 4015 4.143 5.080 5.736 -0.1659 -0.1850 0.4447 34DPPE O22 4016 4.195 5.170 5.800 0.1365 0.3164 -0.4826 34DPPE C22 4017 4.008 5.087 5.666 0.0201 -0.4040 0.0657 34DPPE H2R 4018 3.935 5.113 5.745 -0.6507 0.5818 -0.8443 34DPPE H2S 4019 3.966 4.995 5.620 1.8401 -1.0418 -0.4194 34DPPE C3 4020 4.443 4.988 5.706 0.2345 -0.4073 -0.0494 34DPPE HX 4021 4.530 4.968 5.771 -1.1475 -0.2083 1.9344 34DPPE HY 4022 4.441 5.099 5.695 1.5674 -0.3084 0.5350 34DPPE O31 4023 4.440 4.937 5.572 0.0451 0.1797 -0.2746 34DPPE C31 4024 4.559 4.958 5.516 0.0001 1.0181 -0.0593 34DPPE O32 4025 4.660 4.994 5.574 0.3302 -0.3606 0.2361 34DPPE C32 4026 4.541 4.911 5.373 -0.4717 0.0845 0.2986 34DPPE H2X 4027 4.493 5.002 5.331 -0.2732 0.9211 1.8386 34DPPE H2Y 4028 4.473 4.823 5.370 -0.5791 -0.0302 3.3882 34DPPE C23 4029 4.007 5.215 5.583 -0.0970 -0.5366 -0.1399 34DPPE H3R 4030 4.035 5.307 5.639 -3.0588 0.1627 0.3345 34DPPE H3S 4031 3.901 5.222 5.550 0.5501 1.3313 -2.0603 34DPPE C24 4032 4.107 5.209 5.467 0.2576 0.2757 0.1118 34DPPE H4R 4033 4.212 5.223 5.503 -0.5600 2.3616 1.9027 34DPPE H4S 4034 4.079 5.285 5.392 -2.9990 -1.0233 -0.1390 34DPPE C25 4035 4.096 5.076 5.391 -0.3172 0.1301 0.4442 34DPPE H5R 4036 3.992 5.059 5.355 0.4130 -2.0564 -0.8198 34DPPE H5S 4037 4.132 4.984 5.442 -1.3915 -1.0432 -0.8661 34DPPE C26 4038 4.173 5.075 5.259 -0.0524 0.5204 0.5931 34DPPE H6R 4039 4.262 5.009 5.268 0.7957 1.3218 -1.4045 34DPPE H6S 4040 4.208 5.179 5.241 -0.2718 0.2018 -1.9488 34DPPE C27 4041 4.098 5.031 5.133 0.3219 -0.0549 0.5654 34DPPE H7R 4042 4.012 5.095 5.105 0.3267 -1.0334 -1.8677 34DPPE H7S 4043 4.059 4.931 5.161 -1.2457 0.1242 -0.8556 34DPPE C28 4044 4.199 5.027 5.018 -0.3664 -0.4412 -0.0335 34DPPE H8R 4045 4.225 4.920 5.011 0.7082 -0.2447 0.6609 34DPPE H8S 4046 4.285 5.095 5.036 -0.3540 -0.3826 -0.3071 34DPPE C29 4047 4.121 5.080 4.898 -0.3363 0.2182 0.2334 34DPPE H9R 4048 4.092 5.187 4.912 1.2352 0.5041 1.6760 34DPPE H9S 4049 4.030 5.023 4.871 0.1891 -0.9730 0.8947 34DPPE C210 4050 4.214 5.068 4.777 -0.5928 0.1285 0.0443 34DPPE H10R 4051 4.229 4.960 4.753 3.3395 0.1615 1.5077 34DPPE H10S 4052 4.309 5.121 4.799 0.7369 -2.5290 1.2357 34DPPE C211 4053 4.134 5.123 4.659 -0.2378 -0.6663 -0.5836 34DPPE H11R 4054 4.111 5.229 4.686 0.2183 -1.1038 1.7387 34DPPE H11S 4055 4.035 5.077 4.638 -0.0677 -0.1138 -2.7676 34DPPE C212 4056 4.216 5.125 4.531 -0.1285 0.0186 -0.5076 34DPPE H12R 4057 4.316 5.170 4.554 -1.2653 3.1247 -1.1121 34DPPE H12S 4058 4.187 5.210 4.465 -1.2620 1.4942 1.7824 34DPPE C213 4059 4.227 4.989 4.461 -0.4714 -0.2922 0.0360 34DPPE H13R 4060 4.124 4.949 4.460 -0.2042 -1.0688 1.3926 34DPPE H13S 4061 4.281 4.916 4.525 -0.3432 0.9980 1.4669 34DPPE C214 4062 4.297 5.002 4.326 -1.1414 0.2616 -0.2647 34DPPE H14R 4063 4.399 5.036 4.354 -0.4515 -0.5487 -1.6360 34DPPE H14S 4064 4.259 5.082 4.259 -1.2890 -0.4894 -1.1107 34DPPE C215 4065 4.298 4.867 4.253 -0.2632 0.2794 -0.2975 34DPPE H15R 4066 4.199 4.816 4.254 0.1008 -0.4430 0.6869 34DPPE H15S 4067 4.366 4.803 4.312 -0.6723 -2.1924 -2.3403 34DPPE C216 4068 4.354 4.865 4.111 0.2295 0.1465 -0.1030 34DPPE H16R 4069 4.457 4.908 4.110 0.4257 -0.3049 -1.5921 34DPPE H16S 4070 4.291 4.932 4.049 -3.4626 -2.0369 1.0036 34DPPE H16T 4071 4.345 4.761 4.073 2.1198 -1.0108 2.2944 34DPPE C33 4072 4.680 4.869 5.324 -0.2493 0.4349 0.6281 34DPPE H3X 4073 4.708 4.786 5.392 -0.7593 0.5642 1.0037 34DPPE H3Y 4074 4.756 4.949 5.337 0.2863 0.0198 0.0852 34DPPE C34 4075 4.689 4.824 5.178 0.0388 1.5685 0.2855 34DPPE H4X 4076 4.670 4.717 5.158 -0.8987 2.0621 -1.7903 34DPPE H4Y 4077 4.796 4.837 5.149 -0.1711 1.1646 -0.7222 34DPPE C35 4078 4.587 4.870 5.074 -0.4535 -0.1361 -0.0198 34DPPE H5X 4079 4.565 4.979 5.080 2.6126 0.5918 -0.3983 34DPPE H5Y 4080 4.487 4.834 5.106 -0.8901 -0.3061 -1.4878 34DPPE C36 4081 4.626 4.838 4.930 -0.3517 0.0499 -0.0350 34DPPE H6X 4082 4.633 4.728 4.914 -0.8701 -0.0878 0.6394 34DPPE H6Y 4083 4.722 4.886 4.901 0.0299 -1.4089 -1.3242 34DPPE C37 4084 4.521 4.892 4.833 0.0648 0.4954 -0.2443 34DPPE H7X 4085 4.499 4.998 4.857 -0.7779 -0.0978 1.8472 34DPPE H7Y 4086 4.427 4.837 4.857 -1.7769 2.3752 -2.6275 34DPPE C38 4087 4.563 4.889 4.685 0.0306 0.0254 -0.2468 34DPPE H8X 4088 4.479 4.944 4.638 -0.7545 0.6279 1.7198 34DPPE H8Y 4089 4.576 4.787 4.642 -2.0138 -0.8297 0.9593 34DPPE C39 4090 4.692 4.964 4.657 -0.0863 0.0698 -0.6644 34DPPE H9X 4091 4.777 4.898 4.685 -0.1406 -0.0099 -0.6869 34DPPE H9Y 4092 4.703 5.054 4.721 -3.5100 -0.2879 0.5963 34DPPE C310 4093 4.710 4.997 4.508 0.2015 -0.3865 -0.7338 34DPPE H10X 4094 4.646 4.941 4.437 -0.3002 0.8087 -1.2643 34DPPE H10Y 4095 4.815 4.966 4.491 0.2147 -2.2295 2.1038 34DPPE C311 4096 4.712 5.146 4.471 -0.6618 -0.1235 0.2239 34DPPE H11X 4097 4.757 5.197 4.559 -0.7784 1.7841 -0.7873 34DPPE H11Y 4098 4.607 5.180 4.466 -0.1856 2.0957 2.8319 34DPPE C312 4099 4.810 5.173 4.357 0.1528 0.1274 0.9668 34DPPE H12X 4100 4.908 5.126 4.377 0.2840 0.2529 0.6308 34DPPE H12Y 4101 4.780 5.121 4.264 -0.3942 2.8628 -0.5018 34DPPE C313 4102 4.832 5.322 4.330 -0.1242 -0.1288 -0.7889 34DPPE H13X 4103 4.929 5.326 4.277 1.1578 1.0577 1.4858 34DPPE H13Y 4104 4.837 5.388 4.419 -1.3515 -0.7092 -0.2597 34DPPE C314 4105 4.732 5.388 4.234 -0.1885 -0.4378 -0.9351 34DPPE H14X 4106 4.631 5.383 4.281 -1.2144 1.2147 -2.8392 34DPPE H14Y 4107 4.721 5.329 4.141 -1.8047 1.4408 -2.0162 34DPPE C315 4108 4.767 5.526 4.179 -0.4776 0.2301 0.5045 34DPPE H15X 4109 4.682 5.571 4.124 -0.2010 -1.4034 -1.3471 34DPPE H15Y 4110 4.847 5.509 4.104 -1.2839 -3.0853 0.2608 34DPPE C316 4111 4.810 5.626 4.287 -0.1532 0.0302 0.5636 34DPPE H16X 4112 4.745 5.626 4.377 -0.5196 2.6339 0.3793 34DPPE H16Y 4113 4.817 5.733 4.257 -3.3707 -0.2183 -1.6962 34DPPE H16Z 4114 4.906 5.584 4.324 -0.2052 -0.4310 0.1846 35DPPE N 4115 2.037 5.224 6.752 -0.2288 -0.0583 -0.1707 35DPPE HN1 4116 2.131 5.244 6.713 0.1252 -0.2797 0.5498 35DPPE HN2 4117 2.053 5.170 6.839 0.2495 1.2011 0.5404 35DPPE HN3 4118 1.986 5.163 6.685 0.1686 -1.2093 0.5500 35DPPE C12 4119 1.956 5.349 6.776 0.4398 0.4044 -0.2778 35DPPE H12A 4120 1.847 5.327 6.769 0.2596 1.6131 -1.9730 35DPPE H12B 4121 1.986 5.401 6.869 -2.4973 -1.0958 1.6599 35DPPE C11 4122 1.998 5.446 6.666 -0.3091 0.2476 -0.7073 35DPPE H11A 4123 2.093 5.503 6.672 0.8586 -1.7047 0.2145 35DPPE H11B 4124 1.921 5.526 6.661 -2.0488 -1.1709 1.6417 35DPPE P 4125 1.885 5.432 6.440 0.2876 0.1580 -0.5761 35DPPE O13 4126 1.926 5.570 6.406 0.1406 0.3141 -0.1334 35DPPE O14 4127 1.749 5.410 6.493 0.5239 -0.5137 -0.2442 35DPPE O11 4128 1.908 5.323 6.326 0.3247 0.2780 -0.6831 35DPPE O12 4129 1.996 5.377 6.540 -0.4718 -0.6984 -0.1916 35DPPE C1 4130 1.799 5.301 6.236 -0.0866 -0.4377 -0.0212 35DPPE HA 4131 1.841 5.267 6.139 0.7822 -1.4281 0.6750 35DPPE HB 4132 1.744 5.393 6.206 -0.4296 -0.1020 1.5701 35DPPE C2 4133 1.708 5.186 6.281 -0.0578 -0.3032 0.3827 35DPPE HS 4134 1.704 5.195 6.392 3.5557 0.3063 0.5921 35DPPE O21 4135 1.767 5.066 6.232 0.3666 0.2219 -0.4067 35DPPE C21 4136 1.704 4.961 6.284 0.5237 0.3944 0.1384 35DPPE O22 4137 1.625 4.969 6.377 0.0772 0.5944 -0.2508 35DPPE C22 4138 1.756 4.833 6.219 -0.2758 0.3037 -0.3370 35DPPE H2R 4139 1.719 4.750 6.283 -1.6651 1.7375 0.8123 35DPPE H2S 4140 1.866 4.840 6.224 -0.3471 0.8681 0.9203 35DPPE C3 4141 1.566 5.209 6.225 -0.0501 -0.0390 0.4691 35DPPE HX 4142 1.533 5.313 6.245 1.5595 0.4320 0.8444 35DPPE HY 4143 1.488 5.143 6.269 -1.3633 0.4383 -1.0684 35DPPE O31 4144 1.558 5.173 6.087 -0.1595 0.1566 0.4241 35DPPE C31 4145 1.584 5.256 5.986 0.9493 -0.2688 0.3451 35DPPE O32 4146 1.597 5.377 5.994 -0.6170 -0.0436 -0.2151 35DPPE C32 4147 1.581 5.177 5.856 -0.2238 0.1681 0.0967 35DPPE H2X 4148 1.497 5.105 5.861 -0.9086 0.9426 -0.1360 35DPPE H2Y 4149 1.678 5.123 5.856 -0.6897 -0.7350 1.6640 35DPPE C23 4150 1.710 4.832 6.073 0.0838 0.3955 -0.4516 35DPPE H3R 4151 1.657 4.929 6.059 3.1740 2.5557 1.6241 35DPPE H3S 4152 1.641 4.746 6.057 0.3260 0.3922 -1.5411 35DPPE C24 4153 1.820 4.805 5.971 0.6192 -0.4462 0.3343 35DPPE H4R 4154 1.863 4.706 5.998 0.1318 -1.8957 -3.5457 35DPPE H4S 4155 1.892 4.888 5.990 0.6820 -0.5213 0.4297 35DPPE C25 4156 1.787 4.828 5.823 -0.3014 0.0302 0.6095 35DPPE H5R 4157 1.875 4.819 5.757 0.1007 1.5708 0.8928 35DPPE H5S 4158 1.763 4.935 5.803 2.7233 0.5445 -0.6919 35DPPE C26 4159 1.670 4.738 5.781 0.1982 -0.1891 -0.3166 35DPPE H6R 4160 1.611 4.780 5.697 1.1777 0.2032 -0.8274 35DPPE H6S 4161 1.599 4.727 5.865 1.6643 0.2176 1.0332 35DPPE C27 4162 1.707 4.592 5.759 0.1092 -0.2602 0.0136 35DPPE H7R 4163 1.607 4.543 5.758 -0.2483 0.4529 0.4314 35DPPE H7S 4164 1.764 4.555 5.847 -0.8650 -2.8875 -0.3597 35DPPE C28 4165 1.772 4.555 5.626 0.6405 0.0478 0.1850 35DPPE H8R 4166 1.763 4.445 5.608 1.3422 0.1971 -1.2276 35DPPE H8S 4167 1.705 4.608 5.555 -1.0936 1.3681 2.6996 35DPPE C29 4168 1.919 4.593 5.608 0.6240 -0.0418 -0.1665 35DPPE H9R 4169 1.959 4.570 5.709 -1.3069 1.4565 1.0231 35DPPE H9S 4170 1.939 4.702 5.600 1.1551 0.1742 2.7810 35DPPE C210 4171 1.995 4.524 5.495 -0.0473 -0.4186 -0.3896 35DPPE H10R 4172 1.961 4.418 5.492 -1.5335 -0.0267 1.0603 35DPPE H10S 4173 2.105 4.521 5.512 0.2398 -0.6742 -2.1411 35DPPE C211 4174 1.961 4.583 5.358 0.8365 0.6364 -0.1674 35DPPE H11R 4175 1.958 4.693 5.342 -1.0094 0.3605 -2.1907 35DPPE H11S 4176 1.856 4.555 5.335 -0.6404 2.5163 3.4098 35DPPE C212 4177 2.057 4.538 5.248 0.3559 0.2563 -0.4354 35DPPE H12R 4178 2.081 4.430 5.239 0.0264 0.3395 -4.0761 35DPPE H12S 4179 2.152 4.596 5.257 0.5357 0.1174 -1.2892 35DPPE C213 4180 1.994 4.560 5.110 -0.7829 -0.8206 -0.1046 35DPPE H13R 4181 1.958 4.666 5.113 0.8597 -0.2508 1.0836 35DPPE H13S 4182 1.908 4.495 5.085 0.1556 -1.9347 -0.4959 35DPPE C214 4183 2.097 4.559 4.997 -0.7090 0.0296 -0.0563 35DPPE H14R 4184 2.200 4.585 5.030 0.2524 -2.3660 -0.9437 35DPPE H14S 4185 2.072 4.644 4.930 0.0094 -0.1444 -0.5668 35DPPE C215 4186 2.087 4.427 4.920 -0.5948 0.2803 -0.5032 35DPPE H15R 4187 1.986 4.418 4.877 -0.4062 -2.3559 -0.5284 35DPPE H15S 4188 2.109 4.337 4.982 0.9740 -0.3878 -1.9394 35DPPE C216 4189 2.187 4.406 4.806 0.0167 -0.2120 0.1135 35DPPE H16R 4190 2.169 4.314 4.747 -3.9159 0.3227 0.2373 35DPPE H16S 4191 2.294 4.415 4.836 -0.3465 -0.2599 1.4970 35DPPE H16T 4192 2.174 4.492 4.736 1.4911 -0.4906 -0.5403 35DPPE C33 4193 1.577 5.274 5.738 -0.1486 0.0488 -0.0033 35DPPE H3X 4194 1.508 5.361 5.745 2.4973 2.2546 0.6951 35DPPE H3Y 4195 1.524 5.221 5.656 -2.3531 1.0432 0.7103 35DPPE C34 4196 1.714 5.323 5.690 -0.0201 0.0310 0.3425 35DPPE H4X 4197 1.769 5.364 5.777 -0.1615 -0.2728 0.5795 35DPPE H4Y 4198 1.701 5.404 5.615 -1.8559 -1.5132 -1.1289 35DPPE C35 4199 1.799 5.213 5.625 0.1813 0.4868 -0.1650 35DPPE H5X 4200 1.829 5.131 5.693 0.0211 -0.4790 -1.2298 35DPPE H5Y 4201 1.898 5.261 5.608 0.5423 0.2125 1.0785 35DPPE C36 4202 1.746 5.145 5.498 0.4941 -0.4822 0.2174 35DPPE H6X 4203 1.747 5.230 5.427 -0.6862 -1.1958 -0.6710 35DPPE H6Y 4204 1.639 5.115 5.505 0.0084 0.7327 -1.4086 35DPPE C37 4205 1.828 5.029 5.444 0.5633 -0.3135 -0.0414 35DPPE H7X 4206 1.864 4.964 5.527 0.0430 -1.2180 -0.5119 35DPPE H7Y 4207 1.924 5.074 5.410 -0.2411 1.6639 0.2149 35DPPE C38 4208 1.753 4.946 5.339 -0.4692 0.6901 -0.1050 35DPPE H8X 4209 1.647 4.934 5.370 -1.0089 -0.5809 -2.2613 35DPPE H8Y 4210 1.783 4.839 5.344 3.1009 1.5907 3.2900 35DPPE C39 4211 1.765 5.006 5.199 0.7293 -0.4076 -0.4877 35DPPE H9X 4212 1.868 5.025 5.163 0.9161 -0.3287 0.0860 35DPPE H9Y 4213 1.698 5.094 5.206 0.4481 -0.6036 -0.6431 35DPPE C310 4214 1.698 4.925 5.088 -0.4003 0.1760 -0.2477 35DPPE H10X 4215 1.588 4.930 5.106 -1.0363 -0.7844 -3.2093 35DPPE H10Y 4216 1.714 4.817 5.108 -2.7122 -0.0165 0.9334 35DPPE C311 4217 1.727 4.953 4.940 -0.0675 0.8674 -0.0530 35DPPE H11X 4218 1.835 4.940 4.919 0.7830 2.9449 2.4202 35DPPE H11Y 4219 1.707 5.059 4.913 -1.8836 0.3635 -0.8187 35DPPE C312 4220 1.653 4.861 4.844 -0.0303 0.3099 0.4485 35DPPE H12X 4221 1.546 4.891 4.832 0.2106 0.9486 -0.1819 35DPPE H12Y 4222 1.650 4.763 4.897 -1.7331 0.1268 0.1002 35DPPE C313 4223 1.705 4.839 4.702 -0.4191 -0.3812 0.4077 35DPPE H13X 4224 1.714 4.944 4.667 -0.7700 -0.0814 1.2081 35DPPE H13Y 4225 1.634 4.785 4.634 0.1338 -0.3826 -0.1805 35DPPE C314 4226 1.840 4.770 4.682 0.1380 0.7514 0.1726 35DPPE H14X 4227 1.827 4.663 4.711 3.6253 0.1720 0.0116 35DPPE H14Y 4228 1.899 4.805 4.769 1.4937 -0.4693 -0.2222 35DPPE C315 4229 1.907 4.772 4.544 0.2489 -0.5406 0.1909 35DPPE H15X 4230 1.978 4.689 4.525 0.8127 -0.3925 1.5441 35DPPE H15Y 4231 1.970 4.863 4.537 0.0980 -0.5030 -0.7500 35DPPE C316 4232 1.804 4.782 4.432 -0.1645 -0.5491 0.5667 35DPPE H16X 4233 1.718 4.713 4.446 1.2911 -2.0091 2.7911 35DPPE H16Y 4234 1.856 4.758 4.336 0.0457 0.3070 0.4604 35DPPE H16Z 4235 1.759 4.882 4.412 1.2314 -0.0615 -0.2590 36DPPE N 4236 3.065 2.791 6.389 -0.3746 0.5339 -0.2053 36DPPE HN1 4237 3.028 2.695 6.397 -0.8380 0.8145 1.4534 36DPPE HN2 4238 3.071 2.829 6.486 -0.7315 -3.9618 1.8293 36DPPE HN3 4239 2.995 2.845 6.335 -0.0315 0.8269 -0.3677 36DPPE C12 4240 3.198 2.796 6.317 -0.6193 0.4068 -0.6634 36DPPE H12A 4241 3.254 2.714 6.366 -1.3847 -0.2712 -0.8945 36DPPE H12B 4242 3.179 2.767 6.211 -1.1906 0.0242 -0.4646 36DPPE C11 4243 3.283 2.921 6.338 -0.0644 0.0119 -0.5597 36DPPE H11A 4244 3.363 2.920 6.261 0.5490 -0.3336 0.0697 36DPPE H11B 4245 3.329 2.916 6.440 0.0048 2.6633 -0.3820 36DPPE P 4246 3.268 3.175 6.311 -0.1622 -0.1034 0.1740 36DPPE O13 4247 3.405 3.187 6.366 -0.0710 0.4402 -0.1620 36DPPE O14 4248 3.175 3.285 6.343 -0.3183 -0.3003 0.3951 36DPPE O11 4249 3.272 3.168 6.151 -0.0485 0.0434 0.1698 36DPPE O12 4250 3.196 3.034 6.337 -0.1282 0.0058 0.8842 36DPPE C1 4251 3.392 3.206 6.084 -0.2131 0.2895 0.0140 36DPPE HA 4252 3.399 3.169 5.980 -0.7025 -0.3266 0.1963 36DPPE HB 4253 3.484 3.164 6.129 0.8851 1.6326 -0.8778 36DPPE C2 4254 3.408 3.359 6.083 0.4354 0.2266 -0.0236 36DPPE HS 4255 3.460 3.377 6.179 -1.0387 -0.4245 0.9380 36DPPE O21 4256 3.277 3.418 6.075 0.3762 0.0806 -0.1225 36DPPE C21 4257 3.272 3.543 6.121 0.2824 0.0411 -0.0273 36DPPE O22 4258 3.352 3.593 6.197 0.1583 0.3188 -0.0801 36DPPE C22 4259 3.135 3.594 6.078 0.3435 0.5992 0.4368 36DPPE H2R 4260 3.060 3.567 6.155 0.4095 0.2936 0.3946 36DPPE H2S 4261 3.114 3.535 5.986 1.6939 1.2398 -0.3249 36DPPE C3 4262 3.484 3.403 5.957 -0.0678 -0.0535 -0.4282 36DPPE HX 4263 3.587 3.363 5.967 -0.3343 -0.6637 -0.0501 36DPPE HY 4264 3.504 3.512 5.954 2.0433 -0.4199 -1.2165 36DPPE O31 4265 3.432 3.363 5.829 -0.3238 -0.3464 -0.2339 36DPPE C31 4266 3.355 3.454 5.769 -0.1819 -0.2347 -0.2468 36DPPE O32 4267 3.306 3.555 5.816 0.0904 -0.3311 0.2489 36DPPE C32 4268 3.335 3.411 5.624 0.1595 0.6203 -0.5551 36DPPE H2X 4269 3.238 3.357 5.625 1.7089 -2.4776 -2.4830 36DPPE H2Y 4270 3.414 3.343 5.587 -0.2513 1.2299 -2.6864 36DPPE C23 4271 3.125 3.744 6.048 0.5493 0.5419 0.0686 36DPPE H3R 4272 3.228 3.784 6.037 0.6823 0.3159 0.4484 36DPPE H3S 4273 3.068 3.786 6.134 -1.3213 -1.0363 -0.3443 36DPPE C24 4274 3.066 3.758 5.908 0.1550 -0.0661 0.1725 36DPPE H4R 4275 2.972 3.699 5.898 0.3850 -0.2436 -1.2284 36DPPE H4S 4276 3.136 3.718 5.830 3.1585 0.4676 2.4121 36DPPE C25 4277 3.028 3.905 5.893 0.0788 -0.0761 0.2710 36DPPE H5R 4278 2.971 3.934 5.984 1.3475 -1.4578 1.5523 36DPPE H5S 4279 2.952 3.913 5.812 -0.9675 -1.4090 1.0697 36DPPE C26 4280 3.143 4.003 5.872 -0.1287 0.0421 -0.3109 36DPPE H6R 4281 3.214 4.002 5.957 -2.4457 2.8944 1.8675 36DPPE H6S 4282 3.118 4.111 5.864 3.2353 0.9357 -0.2291 36DPPE C27 4283 3.220 3.988 5.740 0.1923 -0.3168 -0.0873 36DPPE H7R 4284 3.267 3.889 5.729 -0.7393 -0.7886 0.0708 36DPPE H7S 4285 3.303 4.061 5.743 0.0510 -0.1587 0.0250 36DPPE C28 4286 3.130 4.014 5.618 -0.4748 -0.2499 0.4112 36DPPE H8R 4287 3.104 4.122 5.626 -0.5878 -0.2671 0.2765 36DPPE H8S 4288 3.045 3.944 5.605 1.1513 -1.8926 -2.6760 36DPPE C29 4289 3.209 4.002 5.487 -0.2747 -0.1759 0.5237 36DPPE H9R 4290 3.228 3.892 5.483 1.6066 0.1582 -0.7981 36DPPE H9S 4291 3.296 4.070 5.488 0.1449 -0.7013 1.2221 36DPPE C210 4292 3.115 4.033 5.371 0.2922 -0.3506 0.0158 36DPPE H10R 4293 3.061 4.128 5.391 -2.5112 -2.2181 2.1468 36DPPE H10S 4294 3.038 3.952 5.371 2.8332 -2.9261 -0.5376 36DPPE C211 4295 3.179 4.058 5.234 -0.2625 -0.4697 -0.2710 36DPPE H11R 4296 3.269 4.119 5.260 2.1454 -2.4540 -3.2179 36DPPE H11S 4297 3.117 4.120 5.166 0.8356 -0.0206 -0.8979 36DPPE C212 4298 3.231 3.934 5.161 0.6027 -0.0189 -0.4331 36DPPE H12R 4299 3.287 3.870 5.232 -0.0847 1.3319 1.4080 36DPPE H12S 4300 3.304 3.962 5.082 3.0479 0.6368 1.9309 36DPPE C213 4301 3.118 3.850 5.101 0.0472 0.7841 -0.5316 36DPPE H13R 4302 3.025 3.905 5.076 -0.4429 0.1294 -0.1911 36DPPE H13S 4303 3.099 3.784 5.188 -0.9680 1.9193 0.1519 36DPPE C214 4304 3.182 3.773 4.985 -0.0791 -0.0515 -0.0531 36DPPE H14R 4305 3.119 3.686 4.959 -0.5501 -0.0641 1.0558 36DPPE H14S 4306 3.277 3.724 5.013 -1.2147 -1.9752 0.6371 36DPPE C215 4307 3.205 3.850 4.855 -0.2101 0.4251 0.2024 36DPPE H15R 4308 3.240 3.790 4.769 0.5069 3.5638 -1.8752 36DPPE H15S 4309 3.277 3.932 4.878 -0.3223 0.6223 -0.1542 36DPPE C216 4310 3.082 3.918 4.796 -0.7282 -0.1031 0.6552 36DPPE H16R 4311 3.099 3.961 4.694 -0.9492 -0.0861 0.6261 36DPPE H16S 4312 3.064 4.018 4.841 -0.5246 0.8112 -1.1863 36DPPE H16T 4313 2.991 3.855 4.792 -1.1705 0.5025 -3.7148 36DPPE C33 4314 3.330 3.530 5.527 -0.4757 1.1969 0.1672 36DPPE H3X 4315 3.390 3.617 5.560 1.0116 1.1342 -2.1700 36DPPE H3Y 4316 3.222 3.557 5.521 -0.6089 0.5225 -0.7037 36DPPE C34 4317 3.382 3.501 5.386 -0.8525 -0.3776 0.3239 36DPPE H4X 4318 3.482 3.453 5.385 -1.2582 -1.2359 0.2119 36DPPE H4Y 4319 3.386 3.602 5.340 -0.3463 0.0754 1.3274 36DPPE C35 4320 3.287 3.420 5.298 -0.4987 0.4695 -0.8667 36DPPE H5X 4321 3.191 3.472 5.321 -0.8190 -1.1300 1.7856 36DPPE H5Y 4322 3.290 3.324 5.353 2.6392 0.3445 -1.0709 36DPPE C36 4323 3.344 3.411 5.156 0.2477 -0.1128 -0.5380 36DPPE H6X 4324 3.447 3.371 5.153 0.4399 0.1030 1.6896 36DPPE H6Y 4325 3.348 3.507 5.100 -0.0530 -0.3182 -0.9150 36DPPE C37 4326 3.261 3.309 5.078 -0.2198 -0.6135 0.5866 36DPPE H7X 4327 3.237 3.223 5.144 -0.1523 -1.1566 -0.0893 36DPPE H7Y 4328 3.333 3.278 4.999 -2.8926 0.6812 -2.5713 36DPPE C38 4329 3.135 3.358 5.007 0.1619 -0.2992 0.1185 36DPPE H8X 4330 3.045 3.308 5.048 -1.9288 1.4262 -2.0569 36DPPE H8Y 4331 3.116 3.467 5.015 0.0244 -0.4467 2.3298 36DPPE C39 4332 3.128 3.336 4.855 -0.6164 -0.0512 0.1148 36DPPE H9X 4333 3.026 3.371 4.827 0.4005 1.0152 -2.5849 36DPPE H9Y 4334 3.131 3.230 4.823 -1.5476 0.1043 -0.5403 36DPPE C310 4335 3.225 3.432 4.785 -0.6252 -0.1748 -0.0668 36DPPE H10X 4336 3.329 3.398 4.806 -1.1202 -1.0246 1.1708 36DPPE H10Y 4337 3.203 3.537 4.813 0.7209 0.6327 -1.8892 36DPPE C311 4338 3.235 3.433 4.633 -0.0331 -0.1550 -0.0327 36DPPE H11X 4339 3.233 3.329 4.593 -0.8614 -0.4256 0.6840 36DPPE H11Y 4340 3.336 3.472 4.612 -0.2820 0.6101 0.1388 36DPPE C312 4341 3.140 3.521 4.550 0.0297 0.0795 0.1438 36DPPE H12X 4342 3.141 3.487 4.444 -2.2805 1.9706 -0.5542 36DPPE H12Y 4343 3.174 3.626 4.542 0.8623 -0.1697 0.2966 36DPPE C313 4344 2.993 3.511 4.590 0.0367 0.1758 0.1930 36DPPE H13X 4345 2.982 3.541 4.697 2.6144 1.1849 0.2399 36DPPE H13Y 4346 2.958 3.406 4.584 0.5476 -0.0865 1.4338 36DPPE C314 4347 2.908 3.607 4.506 0.2345 -0.5410 -0.8445 36DPPE H14X 4348 2.975 3.695 4.490 -1.6976 1.1963 0.1167 36DPPE H14Y 4349 2.818 3.638 4.562 0.9896 -2.2697 1.4951 36DPPE C315 4350 2.876 3.546 4.370 0.0624 -0.7182 -0.7242 36DPPE H15X 4351 2.976 3.520 4.330 0.4363 2.0738 -1.7872 36DPPE H15Y 4352 2.837 3.621 4.299 -1.9108 0.2343 1.2456 36DPPE C316 4353 2.799 3.414 4.365 -0.2423 -0.5731 0.0735 36DPPE H16X 4354 2.858 3.338 4.419 -0.1206 -0.0927 0.6262 36DPPE H16Y 4355 2.781 3.370 4.265 1.7506 -2.1167 0.3481 36DPPE H16Z 4356 2.700 3.422 4.415 0.4803 -1.1636 1.6644 37DPPE N 4357 1.384 4.891 6.487 0.1157 0.1756 -0.1271 37DPPE HN1 4358 1.335 4.856 6.402 -0.4049 0.0979 0.2000 37DPPE HN2 4359 1.476 4.930 6.458 0.9891 -2.2935 -0.9846 37DPPE HN3 4360 1.408 4.800 6.532 -0.8079 -0.3556 -0.6658 37DPPE C12 4361 1.300 4.981 6.574 -0.1200 -0.5314 0.3937 37DPPE H12A 4362 1.211 4.927 6.613 -0.2217 -0.5000 0.2127 37DPPE H12B 4363 1.361 5.010 6.662 -0.7912 0.2209 0.6215 37DPPE C11 4364 1.260 5.107 6.496 -0.6637 -0.7279 0.3459 37DPPE H11A 4365 1.332 5.187 6.528 -0.6724 -0.8046 0.5638 37DPPE H11B 4366 1.166 5.153 6.533 -1.0816 1.0847 -2.6574 37DPPE P 4367 1.114 5.039 6.306 -0.3917 -0.2850 -0.0434 37DPPE O13 4368 1.008 5.130 6.354 -0.2567 -0.3867 0.4539 37DPPE O14 4369 1.107 4.898 6.351 -0.0284 -0.1693 0.3858 37DPPE O11 4370 1.105 5.036 6.147 0.2247 -0.4055 -0.0807 37DPPE O12 4371 1.255 5.096 6.354 -0.1823 -1.1178 0.3581 37DPPE C1 4372 1.223 5.079 6.079 0.0495 0.0817 -0.0887 37DPPE HA 4373 1.312 5.016 6.102 -0.2877 -0.2208 0.4034 37DPPE HB 4374 1.235 5.186 6.102 -0.4597 0.0970 0.1211 37DPPE C2 4375 1.193 5.072 5.928 -0.0454 -0.3287 -0.0526 37DPPE HS 4376 1.282 5.102 5.870 -1.8274 0.5689 -2.4785 37DPPE O21 4377 1.078 5.152 5.900 0.2076 -0.2454 -0.8875 37DPPE C21 4378 1.104 5.262 5.829 0.1645 0.1168 -0.3470 37DPPE O22 4379 1.216 5.298 5.797 0.4978 -0.3609 0.2622 37DPPE C22 4380 0.970 5.331 5.803 0.1760 0.0405 -0.6074 37DPPE H2R 4381 0.959 5.411 5.879 -0.6802 -0.2695 -0.3981 37DPPE H2S 4382 0.881 5.265 5.803 1.2301 -1.4431 -0.4204 37DPPE C3 4383 1.163 4.934 5.867 0.0025 -0.2710 -0.2063 37DPPE HX 4384 1.068 4.897 5.911 0.4039 -0.2548 0.7081 37DPPE HY 4385 1.244 4.861 5.891 0.8788 0.6047 -0.4170 37DPPE O31 4386 1.146 4.934 5.725 -0.0996 -0.1449 -0.1936 37DPPE C31 4387 1.257 4.947 5.653 0.2070 0.0621 0.3101 37DPPE O32 4388 1.372 4.938 5.693 0.1077 1.2035 0.9006 37DPPE C32 4389 1.220 4.987 5.511 0.2153 0.2428 0.3594 37DPPE H2X 4390 1.172 5.088 5.515 0.5183 0.3586 1.5267 37DPPE H2Y 4391 1.143 4.921 5.466 0.2879 -0.1718 0.8329 37DPPE C23 4392 0.983 5.408 5.672 0.1904 0.4760 -0.3498 37DPPE H3R 4393 1.065 5.483 5.666 0.3393 0.2352 -1.6838 37DPPE H3S 4394 0.891 5.471 5.673 0.3984 0.7927 -0.7112 37DPPE C24 4395 0.969 5.315 5.552 0.4862 0.4222 -0.3420 37DPPE H4R 4396 0.899 5.232 5.577 3.5066 -0.9608 5.2397 37DPPE H4S 4397 1.071 5.273 5.537 1.5020 2.4803 0.4228 37DPPE C25 4398 0.925 5.397 5.430 -0.3057 0.5180 0.0043 37DPPE H5R 4399 0.998 5.476 5.403 -0.8927 1.3319 0.7546 37DPPE H5S 4400 0.828 5.449 5.444 0.3068 2.1591 -1.5223 37DPPE C26 4401 0.895 5.311 5.308 -0.3440 0.3866 0.1057 37DPPE H6R 4402 0.928 5.208 5.333 0.4350 0.3671 -0.8904 37DPPE H6S 4403 0.973 5.341 5.234 0.3139 0.1323 0.6917 37DPPE C27 4404 0.752 5.320 5.253 -0.4441 -0.5494 0.1891 37DPPE H7R 4405 0.739 5.429 5.236 2.3577 -0.4362 -2.0427 37DPPE H7S 4406 0.674 5.272 5.316 -0.2764 1.0291 1.7000 37DPPE C28 4407 0.751 5.283 5.105 -0.3795 0.5436 -0.0948 37DPPE H8R 4408 0.777 5.175 5.106 -0.4255 0.5153 1.8882 37DPPE H8S 4409 0.835 5.331 5.050 0.9188 -2.4986 -0.9916 37DPPE C29 4410 0.621 5.307 5.028 -0.5491 0.2188 0.0925 37DPPE H9R 4411 0.596 5.414 5.013 -0.3922 -0.0894 -2.8695 37DPPE H9S 4412 0.544 5.245 5.079 -0.5762 1.1288 1.2025 37DPPE C210 4413 0.611 5.244 4.889 -0.0384 0.2546 0.0376 37DPPE H10R 4414 0.622 5.134 4.901 -1.9074 0.1126 0.9033 37DPPE H10S 4415 0.689 5.283 4.820 0.9637 -1.2074 0.3004 37DPPE C211 4416 0.478 5.252 4.813 0.0181 0.0230 -0.0870 37DPPE H11R 4417 0.505 5.210 4.714 -1.1050 1.2783 -0.9574 37DPPE H11S 4418 0.447 5.359 4.803 0.6585 0.1139 -1.2964 37DPPE C212 4419 0.367 5.181 4.889 -0.3544 0.5362 -0.1479 37DPPE H12R 4420 0.331 5.243 4.974 -1.5313 -2.3239 1.5965 37DPPE H12S 4421 0.419 5.086 4.914 0.2714 0.2138 -2.4793 37DPPE C213 4422 0.244 5.156 4.801 -0.1286 -0.9669 -0.0596 37DPPE H13R 4423 0.160 5.120 4.864 -1.4123 -1.2764 -1.8646 37DPPE H13S 4424 0.266 5.077 4.727 1.1162 -1.8278 1.1674 37DPPE C214 4425 0.207 5.277 4.714 -0.3868 -0.5877 0.5693 37DPPE H14R 4426 0.301 5.315 4.669 -0.1741 1.3588 2.4843 37DPPE H14S 4427 0.166 5.360 4.776 1.2224 0.4144 0.3486 37DPPE C215 4428 0.105 5.243 4.605 0.0831 0.2274 -0.1319 37DPPE H15R 4429 0.022 5.190 4.656 0.0361 -1.1739 -1.6080 37DPPE H15S 4430 0.158 5.179 4.531 -0.7760 -0.3151 -0.2954 37DPPE C216 4431 0.061 5.363 4.522 1.1565 0.5131 -0.3099 37DPPE H16R 4432 -0.012 5.330 4.446 1.7950 0.2223 -0.8030 37DPPE H16S 4433 0.145 5.414 4.470 0.3732 2.1020 -0.0871 37DPPE H16T 4434 0.018 5.432 4.599 -0.0220 -2.3085 1.7639 37DPPE C33 4435 1.345 4.981 5.424 0.0282 0.2461 0.0887 37DPPE H3X 4436 1.410 4.894 5.450 0.1418 -0.2739 -1.7562 37DPPE H3Y 4437 1.405 5.074 5.436 -0.1782 0.3058 0.6772 37DPPE C34 4438 1.318 4.963 5.274 -0.5155 -0.6278 0.2875 37DPPE H4X 4439 1.281 4.859 5.263 0.4286 -0.9620 0.1330 37DPPE H4Y 4440 1.414 4.972 5.218 -0.5042 0.6487 0.4925 37DPPE C35 4441 1.228 5.070 5.214 1.0823 0.6295 0.0627 37DPPE H5X 4442 1.265 5.169 5.249 1.8695 -0.2833 1.9488 37DPPE H5Y 4443 1.127 5.048 5.256 1.0188 -0.2045 -0.5140 37DPPE C36 4444 1.213 5.063 5.062 0.2109 -0.2390 0.1750 37DPPE H6X 4445 1.208 4.958 5.026 1.9945 -0.3278 0.0696 37DPPE H6Y 4446 1.305 5.108 5.017 1.5338 -1.9469 1.0306 37DPPE C37 4447 1.080 5.117 5.011 0.4258 0.3149 0.1890 37DPPE H7X 4448 1.072 5.228 5.008 -2.5934 0.1677 -2.2085 37DPPE H7Y 4449 0.998 5.081 5.077 -1.9829 2.3510 -1.5001 37DPPE C38 4450 1.061 5.081 4.864 0.3280 0.5013 0.1550 37DPPE H8X 4451 1.046 4.971 4.857 0.6556 0.2815 2.3043 37DPPE H8Y 4452 1.150 5.106 4.803 1.4731 0.3023 1.7128 37DPPE C39 4453 0.942 5.156 4.804 0.3626 0.4480 0.0195 37DPPE H9X 4454 0.974 5.262 4.808 1.8563 -0.0171 1.0649 37DPPE H9Y 4455 0.861 5.142 4.878 0.5036 -0.2934 0.0365 37DPPE C310 4456 0.902 5.112 4.663 0.3294 -0.0853 0.1938 37DPPE H10X 4457 0.794 5.140 4.657 -0.1933 -1.9238 0.2431 37DPPE H10Y 4458 0.894 5.002 4.646 -0.7693 0.3885 -3.1065 37DPPE C311 4459 0.995 5.166 4.555 0.3611 -0.2210 0.1529 37DPPE H11X 4460 1.094 5.121 4.579 -0.0141 -0.9780 0.3080 37DPPE H11Y 4461 0.987 5.276 4.573 -1.7055 -0.2827 -0.2392 37DPPE C312 4462 0.954 5.131 4.412 0.5911 -0.0674 0.0479 37DPPE H12X 4463 0.848 5.098 4.421 0.0305 1.6256 0.0341 37DPPE H12Y 4464 1.007 5.037 4.384 1.3955 -0.4091 2.4598 37DPPE C313 4465 0.980 5.242 4.310 0.2627 -0.4715 -0.4801 37DPPE H13X 4466 1.080 5.289 4.325 0.0717 0.2926 -1.5107 37DPPE H13Y 4467 0.926 5.337 4.329 0.1107 -1.0069 2.1106 37DPPE C314 4468 0.964 5.209 4.161 0.5488 -0.6671 -0.4709 37DPPE H14X 4469 0.869 5.155 4.139 0.3537 -1.8700 2.7693 37DPPE H14Y 4470 1.044 5.134 4.147 0.4076 -1.1502 1.1028 37DPPE C315 4471 0.991 5.325 4.065 0.4208 -0.5125 -0.3230 37DPPE H15X 4472 1.050 5.280 3.982 -0.2856 0.8940 -1.6384 37DPPE H15Y 4473 1.061 5.400 4.107 1.3225 1.0940 -4.2175 37DPPE C316 4474 0.870 5.387 3.995 0.3268 0.2143 0.4826 37DPPE H16X 4475 0.793 5.410 4.071 -1.4720 0.7347 -1.4148 37DPPE H16Y 4476 0.829 5.311 3.926 2.2288 -0.7323 0.3189 37DPPE H16Z 4477 0.890 5.490 3.956 1.1149 -0.4618 -0.9692 38DPPE N 4478 0.261 5.130 6.147 0.0705 -0.1347 -0.1447 38DPPE HN1 4479 0.222 5.071 6.070 2.0890 -0.1396 -1.2466 38DPPE HN2 4480 0.352 5.082 6.165 -0.3322 -0.4408 1.1288 38DPPE HN3 4481 0.205 5.128 6.235 1.5436 2.4516 0.9504 38DPPE C12 4482 0.281 5.269 6.093 -0.0521 -0.0353 0.0646 38DPPE H12A 4483 0.179 5.312 6.080 -0.7156 -1.0658 1.6556 38DPPE H12B 4484 0.333 5.274 5.995 0.5504 0.7451 0.4174 38DPPE C11 4485 0.351 5.364 6.190 -0.4409 -0.5300 0.8317 38DPPE H11A 4486 0.270 5.379 6.265 -2.4598 -0.7651 -1.1985 38DPPE H11B 4487 0.367 5.461 6.139 0.2732 -0.9669 0.2093 38DPPE P 4488 0.612 5.342 6.186 0.5885 0.2845 -0.3054 38DPPE O13 4489 0.637 5.265 6.062 -0.2152 -0.4756 0.0007 38DPPE O14 4490 0.717 5.341 6.290 0.1773 0.8177 0.1204 38DPPE O11 4491 0.596 5.495 6.141 0.1460 0.3546 0.0922 38DPPE O12 4492 0.469 5.307 6.248 0.5521 0.1739 -0.4507 38DPPE C1 4493 0.707 5.576 6.102 0.4492 -0.0626 0.0885 38DPPE HA 4494 0.797 5.511 6.107 -1.9218 -3.6215 0.0251 38DPPE HB 4495 0.707 5.658 6.177 -0.6350 1.0169 -1.0444 38DPPE C2 4496 0.696 5.622 5.956 0.1828 -0.7374 -0.1100 38DPPE HS 4497 0.607 5.689 5.956 1.2932 0.7979 0.2798 38DPPE O21 4498 0.685 5.508 5.870 -0.5422 -0.3761 -0.5082 38DPPE C21 4499 0.558 5.479 5.844 -0.5633 -0.4130 -0.3694 38DPPE O22 4500 0.458 5.540 5.878 -0.4660 -0.4711 0.0146 38DPPE C22 4501 0.549 5.353 5.758 0.6174 -0.7061 -0.0852 38DPPE H2R 4502 0.442 5.321 5.759 -0.0862 1.3418 -1.4974 38DPPE H2S 4503 0.601 5.272 5.813 0.5290 -0.9913 -0.4147 38DPPE C3 4504 0.821 5.700 5.912 -0.4799 0.5391 0.2118 38DPPE HX 4505 0.907 5.631 5.900 0.1517 1.2083 0.7837 38DPPE HY 4506 0.853 5.766 5.995 2.6463 2.1803 -2.0552 38DPPE O31 4507 0.819 5.776 5.790 -0.0334 -0.0604 -0.1776 38DPPE C31 4508 0.764 5.897 5.797 0.1536 0.0059 0.2048 38DPPE O32 4509 0.713 5.954 5.892 -0.1536 -0.0450 0.0710 38DPPE C32 4510 0.776 5.965 5.661 0.1120 -0.1133 0.1421 38DPPE H2X 4511 0.886 5.966 5.645 0.3251 -0.0235 1.5070 38DPPE H2Y 4512 0.741 6.070 5.669 -0.8993 -0.5368 1.5845 38DPPE C23 4513 0.603 5.383 5.618 0.8393 0.3796 0.2247 38DPPE H3R 4514 0.611 5.285 5.566 -0.2250 0.0539 0.6383 38DPPE H3S 4515 0.699 5.435 5.637 1.2936 -1.1432 2.4952 38DPPE C24 4516 0.504 5.461 5.530 -0.2960 -0.4803 0.7180 38DPPE H4R 4517 0.563 5.513 5.452 0.5491 -0.6509 1.2328 38DPPE H4S 4518 0.457 5.531 5.603 -0.6999 1.7170 -1.5395 38DPPE C25 4519 0.388 5.388 5.463 0.1765 -0.4203 -0.1712 38DPPE H5R 4520 0.326 5.338 5.540 -0.7623 -1.0753 -1.3109 38DPPE H5S 4521 0.430 5.318 5.387 -0.7499 1.0117 -2.0990 38DPPE C26 4522 0.292 5.481 5.387 0.0018 -0.6541 -0.2387 38DPPE H6R 4523 0.353 5.566 5.349 1.1765 -1.9563 -1.3709 38DPPE H6S 4524 0.217 5.511 5.463 1.7187 1.2530 0.8229 38DPPE C27 4525 0.231 5.409 5.267 -0.4849 -0.2940 -0.2084 38DPPE H7R 4526 0.195 5.310 5.304 -2.1877 0.3571 -0.0195 38DPPE H7S 4527 0.315 5.403 5.194 -0.5948 1.3957 -0.5217 38DPPE C28 4528 0.110 5.481 5.207 0.3298 0.9029 -0.4445 38DPPE H8R 4529 0.137 5.583 5.172 -0.2126 0.3947 -2.4715 38DPPE H8S 4530 0.026 5.496 5.278 0.6304 2.1391 -0.3280 38DPPE C29 4531 0.064 5.415 5.077 0.0449 -0.1772 0.1914 38DPPE H9R 4532 0.142 5.346 5.041 1.4881 1.3812 0.2207 38DPPE H9S 4533 0.045 5.500 5.008 -2.8720 -1.4544 -0.7522 38DPPE C210 4534 -0.079 5.359 5.083 0.2758 -0.7472 0.4943 38DPPE H10R 4535 -0.150 5.438 5.116 1.7878 1.4691 -1.1964 38DPPE H10S 4536 -0.083 5.281 5.162 0.0261 -0.4807 0.7435 38DPPE C211 4537 -0.125 5.303 4.948 -0.7180 -0.4924 0.7236 38DPPE H11R 4538 -0.048 5.231 4.913 0.9132 1.2704 0.5536 38DPPE H11S 4539 -0.141 5.392 4.884 -0.3636 1.2513 2.9163 38DPPE C212 4540 -0.240 5.203 4.957 -0.6449 -0.6050 0.4181 38DPPE H12R 4541 -0.334 5.256 4.985 -0.0081 0.8674 -0.1687 38DPPE H12S 4542 -0.218 5.129 5.037 -1.1018 -0.1664 0.9621 38DPPE C213 4543 -0.258 5.137 4.820 -0.3401 -0.0755 0.1202 38DPPE H13R 4544 -0.340 5.065 4.840 -0.6121 0.5272 1.2388 38DPPE H13S 4545 -0.166 5.096 4.773 -0.8736 0.9245 -1.8840 38DPPE C214 4546 -0.314 5.230 4.713 0.0105 -0.3632 -0.3204 38DPPE H14R 4547 -0.242 5.310 4.686 -0.8136 0.6043 0.2387 38DPPE H14S 4548 -0.410 5.278 4.742 -1.5326 -1.9515 -2.5360 38DPPE C215 4549 -0.340 5.152 4.585 -0.2173 -0.3254 -0.2967 38DPPE H15R 4550 -0.430 5.085 4.584 -0.2428 -0.4040 -3.4463 38DPPE H15S 4551 -0.247 5.103 4.550 1.3390 2.0957 0.2702 38DPPE C216 4552 -0.380 5.231 4.461 -0.0745 -0.9247 -0.7328 38DPPE H16R 4553 -0.297 5.299 4.432 0.6713 -0.9143 1.2821 38DPPE H16S 4554 -0.466 5.298 4.486 0.1279 -1.3241 1.1476 38DPPE H16T 4555 -0.412 5.167 4.376 -1.9692 -0.4006 -0.4681 38DPPE C33 4556 0.685 5.903 5.555 0.1514 -0.5347 0.3487 38DPPE H3X 4557 0.673 5.987 5.482 -1.1168 -1.4282 -0.5256 38DPPE H3Y 4558 0.581 5.883 5.589 0.1124 0.3276 0.7760 38DPPE C34 4559 0.734 5.772 5.494 -0.2291 -0.7791 0.5724 38DPPE H4X 4560 0.656 5.727 5.428 -1.7006 2.8382 -0.4159 38DPPE H4Y 4561 0.753 5.698 5.575 2.7850 -2.9861 -1.9120 38DPPE C35 4562 0.872 5.794 5.433 -0.5704 -0.1722 0.0148 38DPPE H5X 4563 0.898 5.694 5.393 -0.5076 0.2330 -0.9924 38DPPE H5Y 4564 0.953 5.828 5.501 0.5935 -0.1168 -1.3475 38DPPE C36 4565 0.874 5.898 5.321 0.0291 0.2410 0.3987 38DPPE H6X 4566 0.913 5.994 5.361 -1.6013 0.3669 1.8147 38DPPE H6Y 4567 0.768 5.910 5.287 -0.2779 -1.0879 0.8426 38DPPE C37 4568 0.960 5.859 5.201 0.2733 0.6389 0.4395 38DPPE H7X 4569 0.926 5.926 5.119 -1.9259 0.2438 0.9542 38DPPE H7Y 4570 0.924 5.754 5.186 0.7400 0.0720 2.8878 38DPPE C38 4571 1.111 5.875 5.218 0.3942 -0.0870 0.1086 38DPPE H8X 4572 1.136 5.819 5.311 1.5091 -0.6919 -0.5330 38DPPE H8Y 4573 1.118 5.982 5.247 -0.7164 1.0374 -3.2357 38DPPE C39 4574 1.200 5.837 5.100 0.3969 0.4541 -0.0678 38DPPE H9X 4575 1.202 5.726 5.090 -1.4658 0.2661 1.0260 38DPPE H9Y 4576 1.301 5.876 5.123 -0.6165 4.0590 -1.0574 38DPPE C310 4577 1.140 5.889 4.969 0.1578 -0.5488 -0.3726 38DPPE H10X 4578 1.110 5.994 4.989 1.8281 -0.5972 3.1337 38DPPE H10Y 4579 1.052 5.837 4.926 -0.4176 -0.1907 0.3503 38DPPE C311 4580 1.241 5.897 4.854 -0.3803 0.0545 -0.8119 38DPPE H11X 4581 1.326 5.959 4.888 -1.1178 -0.0272 1.3034 38DPPE H11Y 4582 1.192 5.960 4.777 -1.5050 -2.2896 -2.1417 38DPPE C312 4583 1.270 5.767 4.779 0.9471 -0.2555 0.2069 38DPPE H12X 4584 1.167 5.724 4.775 1.6391 -2.2210 1.8255 38DPPE H12Y 4585 1.330 5.712 4.855 0.2433 -0.1336 0.8576 38DPPE C313 4586 1.341 5.791 4.645 0.3741 -0.4701 -0.1380 38DPPE H13X 4587 1.275 5.861 4.589 -2.2699 -2.7844 -0.1672 38DPPE H13Y 4588 1.346 5.696 4.587 -0.4656 -0.8177 0.3246 38DPPE C314 4589 1.478 5.855 4.664 0.1158 -0.0507 0.3231 38DPPE H14X 4590 1.475 5.958 4.708 -0.1646 0.4245 -0.7766 38DPPE H14Y 4591 1.516 5.887 4.565 -2.4139 -0.6991 -0.9307 38DPPE C315 4592 1.596 5.769 4.709 0.1520 0.0795 0.4786 38DPPE H15X 4593 1.588 5.677 4.647 0.4338 -0.2133 0.8690 38DPPE H15Y 4594 1.570 5.743 4.814 -0.4934 2.5230 0.9800 38DPPE C316 4595 1.738 5.822 4.695 -0.0041 0.4171 0.1619 38DPPE H16X 4596 1.754 5.917 4.751 0.3371 -0.5764 1.8112 38DPPE H16Y 4597 1.766 5.829 4.587 0.5842 -0.7566 0.2203 38DPPE H16Z 4598 1.808 5.748 4.738 1.0787 1.3542 0.0731 39DPPE N 4599 3.140 1.985 5.864 -0.4716 0.3732 -0.4562 39DPPE HN1 4600 3.128 2.061 5.935 -1.2129 -1.1623 1.1317 39DPPE HN2 4601 3.045 1.984 5.821 -0.6837 1.5762 -0.0587 39DPPE HN3 4602 3.150 1.890 5.905 -2.2500 0.9655 1.5442 39DPPE C12 4603 3.245 2.021 5.762 -0.2443 -0.0939 -0.3879 39DPPE H12A 4604 3.188 2.015 5.667 -1.7057 1.5653 0.3353 39DPPE H12B 4605 3.267 2.130 5.764 -1.1202 0.0885 -0.2889 39DPPE C11 4606 3.369 1.931 5.754 -0.0751 0.0991 0.0432 39DPPE H11A 4607 3.432 1.954 5.843 2.5088 0.9345 -1.8672 39DPPE H11B 4608 3.434 1.947 5.665 1.1785 2.3965 1.2470 39DPPE P 4609 3.448 1.698 5.760 0.3003 0.0678 0.0658 39DPPE O13 4610 3.394 1.567 5.802 -0.2071 0.2154 -0.1120 39DPPE O14 4611 3.558 1.754 5.840 -0.0990 -0.0926 0.7311 39DPPE O11 4612 3.497 1.707 5.608 -0.2647 0.2929 -0.1090 39DPPE O12 4613 3.322 1.797 5.766 0.2602 0.0027 0.2924 39DPPE C1 4614 3.625 1.647 5.587 -0.4628 -0.0665 -0.2901 39DPPE HA 4615 3.624 1.592 5.490 1.9095 -1.0797 0.1798 39DPPE HB 4616 3.642 1.558 5.651 0.6238 -1.0452 -1.8422 39DPPE C2 4617 3.731 1.758 5.580 0.1450 -0.6423 -0.3706 39DPPE HS 4618 3.767 1.775 5.684 -0.7132 -0.4430 -0.1014 39DPPE O21 4619 3.672 1.873 5.518 0.0284 -0.3102 0.3472 39DPPE C21 4620 3.718 1.995 5.548 0.0059 -0.3433 0.5204 39DPPE O22 4621 3.819 2.009 5.615 0.3711 0.2852 -0.1416 39DPPE C22 4622 3.634 2.111 5.497 -0.0659 -0.3441 0.6380 39DPPE H2R 4623 3.528 2.080 5.507 0.0382 -0.9825 -0.1285 39DPPE H2S 4624 3.662 2.128 5.391 1.5002 -0.8652 0.9361 39DPPE C3 4625 3.848 1.703 5.497 0.8424 0.4601 -0.1414 39DPPE HX 4626 3.883 1.615 5.555 -1.5728 -1.8832 -1.9925 39DPPE HY 4627 3.923 1.785 5.494 1.6957 -0.2136 1.2643 39DPPE O31 4628 3.827 1.674 5.359 -0.3400 0.2405 0.0729 39DPPE C31 4629 3.920 1.588 5.315 -0.9522 -0.5971 0.3999 39DPPE O32 4630 4.009 1.532 5.376 -0.2009 0.3265 0.1787 39DPPE C32 4631 3.926 1.578 5.163 0.1456 0.0582 0.3931 39DPPE H2X 4632 3.900 1.472 5.145 1.1993 -0.7258 2.9783 39DPPE H2Y 4633 4.028 1.606 5.129 -0.1379 1.5362 0.6722 39DPPE C23 4634 3.670 2.237 5.575 0.1060 0.3572 -0.5532 39DPPE H3R 4635 3.780 2.253 5.565 0.3783 -1.4291 -0.7766 39DPPE H3S 4636 3.642 2.226 5.682 0.4047 -0.2622 -0.5338 39DPPE C24 4637 3.589 2.359 5.531 -0.0350 0.6534 0.4926 39DPPE H4R 4638 3.593 2.439 5.607 -0.2090 2.5426 -1.3867 39DPPE H4S 4639 3.483 2.332 5.511 -0.5420 2.6958 0.1500 39DPPE C25 4640 3.631 2.439 5.408 0.1772 -0.3043 -0.0689 39DPPE H5R 4641 3.555 2.520 5.406 0.6041 0.2152 2.1283 39DPPE H5S 4642 3.628 2.373 5.319 -0.6191 -2.3902 1.4432 39DPPE C26 4643 3.767 2.507 5.426 -0.1179 0.2521 0.0717 39DPPE H6R 4644 3.858 2.443 5.428 0.1776 0.6071 -1.1790 39DPPE H6S 4645 3.763 2.569 5.518 -0.9182 -0.8570 0.8101 39DPPE C27 4646 3.795 2.613 5.319 0.9132 -0.1911 -0.1109 39DPPE H7R 4647 3.871 2.683 5.360 1.1455 0.1055 -1.0339 39DPPE H7S 4648 3.702 2.674 5.308 1.9760 1.4699 -0.2487 39DPPE C28 4649 3.824 2.574 5.174 -0.2243 -0.1143 -0.3738 39DPPE H8R 4650 3.728 2.543 5.128 -1.0772 2.0463 -0.1592 39DPPE H8S 4651 3.903 2.495 5.173 -1.1965 -1.1684 1.2411 39DPPE C29 4652 3.868 2.693 5.090 0.6441 -0.2362 -0.1090 39DPPE H9R 4653 3.971 2.721 5.119 0.2798 0.1583 0.8551 39DPPE H9S 4654 3.794 2.776 5.086 -2.1002 -2.4518 1.5323 39DPPE C210 4655 3.871 2.644 4.945 -0.4192 -0.0900 -0.1944 39DPPE H10R 4656 3.775 2.598 4.915 0.7171 -1.0933 -2.6184 39DPPE H10S 4657 3.938 2.555 4.943 -1.6034 -1.0178 0.0030 39DPPE C211 4658 3.917 2.750 4.845 0.4606 -0.6967 -0.4452 39DPPE H11R 4659 4.025 2.766 4.870 1.3818 -3.5186 -2.1133 39DPPE H11S 4660 3.876 2.850 4.868 2.6320 0.0565 0.4238 39DPPE C212 4661 3.899 2.715 4.697 -0.0277 -0.0226 -0.5483 39DPPE H12R 4662 3.793 2.699 4.669 -0.2860 0.7395 -0.0397 39DPPE H12S 4663 3.955 2.620 4.684 1.0518 0.3715 0.8768 39DPPE C213 4664 3.960 2.814 4.597 0.2879 -0.0622 -0.3973 39DPPE H13R 4665 4.057 2.836 4.645 -0.0694 1.7774 -0.4644 39DPPE H13S 4666 3.907 2.912 4.598 0.8931 0.3192 -2.2266 39DPPE C214 4667 3.976 2.768 4.452 0.0629 -0.1518 -0.3961 39DPPE H14R 4668 3.904 2.698 4.406 -0.5789 0.0140 0.3392 39DPPE H14S 4669 4.075 2.717 4.447 1.2056 1.8472 0.6177 39DPPE C215 4670 3.987 2.891 4.362 -0.1570 0.1517 -0.0096 39DPPE H15R 4671 4.070 2.961 4.389 -1.9526 1.8863 1.2711 39DPPE H15S 4672 3.896 2.951 4.382 1.5697 3.0255 -0.1439 39DPPE C216 4673 4.011 2.857 4.215 -0.4712 0.3622 -0.1097 39DPPE H16R 4674 3.921 2.812 4.167 -1.1930 0.0615 1.4523 39DPPE H16S 4675 4.097 2.787 4.217 -0.5713 0.0658 4.4461 39DPPE H16T 4676 4.031 2.951 4.159 -1.5573 1.9012 1.9179 39DPPE C33 4677 3.817 1.669 5.105 -0.7437 -0.9320 0.4743 39DPPE H3X 4678 3.843 1.774 5.129 0.3724 -0.8677 -0.8563 39DPPE H3Y 4679 3.726 1.630 5.154 -0.1318 -2.2988 0.5870 39DPPE C34 4680 3.786 1.667 4.955 0.5273 -0.1976 0.1838 39DPPE H4X 4681 3.882 1.682 4.900 0.1202 0.7638 -0.2724 39DPPE H4Y 4682 3.719 1.753 4.938 0.1479 -0.4010 0.6503 39DPPE C35 4683 3.727 1.535 4.904 0.3373 -0.1168 0.1961 39DPPE H5X 4684 3.688 1.482 4.994 -2.2159 0.0479 -0.7244 39DPPE H5Y 4685 3.816 1.478 4.868 1.9032 0.7995 2.3857 39DPPE C36 4686 3.607 1.537 4.809 0.7684 -0.4641 -0.3640 39DPPE H6X 4687 3.633 1.560 4.704 -0.4835 -0.2125 -0.6328 39DPPE H6Y 4688 3.551 1.628 4.841 -0.7112 -0.6224 -2.3117 39DPPE C37 4689 3.511 1.419 4.826 0.2362 0.0126 -0.0334 39DPPE H7X 4690 3.503 1.405 4.936 0.0332 1.0141 0.0938 39DPPE H7Y 4691 3.557 1.332 4.776 0.4385 0.9976 -1.6236 39DPPE C38 4692 3.377 1.451 4.758 0.0902 -0.0897 0.2043 39DPPE H8X 4693 3.407 1.449 4.651 1.1851 -0.4547 0.5032 39DPPE H8Y 4694 3.349 1.553 4.793 0.5096 -0.4639 1.7458 39DPPE C39 4695 3.271 1.344 4.781 -0.3825 0.1217 -0.9367 39DPPE H9X 4696 3.321 1.245 4.788 -0.7811 -0.0291 -0.1184 39DPPE H9Y 4697 3.208 1.341 4.690 0.9580 -1.7113 -1.8812 39DPPE C310 4698 3.174 1.361 4.898 0.1060 0.1978 -0.5370 39DPPE H10X 4699 3.215 1.351 5.000 1.7830 2.1899 -0.9472 39DPPE H10Y 4700 3.095 1.283 4.891 -0.6849 1.0247 -1.2671 39DPPE C311 4701 3.091 1.490 4.887 0.1026 0.2736 0.3063 39DPPE H11X 4702 3.086 1.513 4.778 1.3177 -0.9261 -0.0344 39DPPE H11Y 4703 3.148 1.583 4.906 -1.2538 1.3295 -0.5831 39DPPE C312 4704 2.958 1.489 4.963 -0.2156 0.2512 -0.2438 39DPPE H12X 4705 2.885 1.422 4.913 -1.7098 -0.0829 2.2147 39DPPE H12Y 4706 2.908 1.587 4.943 -0.1074 -0.2307 -3.4680 39DPPE C313 4707 2.970 1.461 5.113 -0.0225 -0.1160 -0.3273 39DPPE H13X 4708 3.028 1.543 5.162 -1.1412 2.3884 -2.8859 39DPPE H13Y 4709 3.019 1.364 5.135 0.2853 0.0968 -0.0718 39DPPE C314 4710 2.832 1.440 5.174 0.2894 -0.2894 0.3255 39DPPE H14X 4711 2.756 1.467 5.098 1.2009 -3.7276 -2.0335 39DPPE H14Y 4712 2.825 1.484 5.276 1.1812 -3.1058 1.6934 39DPPE C315 4713 2.819 1.296 5.223 -0.4570 -0.4630 -0.3543 39DPPE H15X 4714 2.895 1.289 5.304 -2.0798 1.5163 1.4853 39DPPE H15Y 4715 2.836 1.228 5.136 0.8255 3.6310 -3.6141 39DPPE C316 4716 2.679 1.260 5.274 -0.4496 -0.3506 -0.2529 39DPPE H16X 4717 2.670 1.149 5.279 -0.6365 -0.2972 0.6939 39DPPE H16Y 4718 2.664 1.292 5.379 -0.7821 -1.4367 0.0456 39DPPE H16Z 4719 2.601 1.298 5.204 0.0301 1.2941 0.0643 40DPPE N 4720 4.984 0.088 6.730 -0.2151 -0.3439 -0.0327 40DPPE HN1 4721 4.897 0.087 6.788 1.8220 -1.2274 3.2827 40DPPE HN2 4722 5.058 0.055 6.795 -3.2637 -0.1871 3.9479 40DPPE HN3 4723 5.001 0.187 6.705 1.7863 -0.6208 0.0771 40DPPE C12 4724 4.964 -0.011 6.618 0.0361 0.0167 -0.3981 40DPPE H12A 4725 5.065 -0.021 6.573 0.4320 -0.1557 0.5152 40DPPE H12B 4726 4.930 -0.109 6.656 -2.2959 0.3237 -1.5418 40DPPE C11 4727 4.871 0.051 6.513 -0.2092 0.4663 0.0785 40DPPE H11A 4728 4.771 0.069 6.558 -0.5616 -0.8855 -0.1004 40DPPE H11B 4729 4.868 -0.026 6.433 -3.2909 0.1982 0.3411 40DPPE P 4730 4.886 0.218 6.326 -0.0295 0.2313 0.0417 40DPPE O13 4731 4.921 0.361 6.308 -0.6894 0.4061 0.1307 40DPPE O14 4732 4.743 0.181 6.316 0.1546 -0.2925 -0.7978 40DPPE O11 4733 4.969 0.119 6.231 -0.0025 -0.0600 0.3684 40DPPE O12 4734 4.933 0.173 6.471 0.1998 0.2217 -0.0351 40DPPE C1 4735 5.112 0.130 6.239 0.0489 -0.1903 -0.3472 40DPPE HA 4736 5.154 0.039 6.286 -0.8400 -0.5315 -0.1970 40DPPE HB 4737 5.143 0.223 6.291 -0.9254 -1.9474 3.7733 40DPPE C2 4738 5.163 0.131 6.094 0.6307 0.3189 -0.1459 40DPPE HS 4739 5.273 0.134 6.085 0.8499 -4.0267 -1.6795 40DPPE O21 4740 5.109 0.239 6.016 0.2357 -0.1730 -0.5682 40DPPE C21 4741 5.173 0.353 6.040 -0.1609 0.0062 -0.3537 40DPPE O22 4742 5.276 0.357 6.107 -0.2243 -0.2127 -0.2415 40DPPE C22 4743 5.117 0.463 5.951 0.5059 0.7673 0.1491 40DPPE H2R 4744 5.107 0.554 6.014 -0.4901 1.2711 -0.7121 40DPPE H2S 4745 5.013 0.430 5.930 0.4066 1.2627 -0.1349 40DPPE C3 4746 5.124 -0.004 6.031 -0.0697 0.3322 0.2335 40DPPE HX 4747 5.015 -0.024 6.031 -0.5756 2.6271 2.1596 40DPPE HY 4748 5.160 -0.085 6.098 -0.5031 -0.7077 -0.7518 40DPPE O31 4749 5.191 -0.021 5.905 -0.5294 0.1600 0.0095 40DPPE C31 4750 5.123 -0.002 5.792 -0.1729 0.3565 -0.1748 40DPPE O32 4751 5.005 0.028 5.789 -0.1114 0.5966 -0.2446 40DPPE C32 4752 5.220 0.005 5.675 0.3571 -0.1814 0.2266 40DPPE H2X 4753 5.290 0.091 5.678 -0.1804 0.4520 -2.7906 40DPPE H2Y 4754 5.153 0.016 5.587 -0.6301 2.9904 1.2567 40DPPE C23 4755 5.209 0.494 5.833 -0.3114 0.4986 -0.5671 40DPPE H3R 4756 5.310 0.450 5.846 0.1101 0.7673 -2.5498 40DPPE H3S 4757 5.217 0.604 5.820 0.1807 0.4802 -0.4455 40DPPE C24 4758 5.147 0.437 5.705 -0.6357 -0.2290 -0.0902 40DPPE H4R 4759 5.065 0.506 5.677 -0.7677 -0.7179 -0.9370 40DPPE H4S 4760 5.094 0.342 5.726 -4.0813 1.6430 0.4458 40DPPE C25 4761 5.240 0.419 5.585 -0.3694 -0.4159 0.1407 40DPPE H5R 4762 5.321 0.350 5.616 0.1962 -0.4164 -1.2530 40DPPE H5S 4763 5.278 0.521 5.562 0.1687 -0.8353 -0.9096 40DPPE C26 4764 5.157 0.346 5.479 0.1491 -1.0260 0.1515 40DPPE H6R 4765 5.070 0.406 5.444 0.7495 -0.3549 -0.2276 40DPPE H6S 4766 5.122 0.251 5.526 -1.7221 -2.6057 -3.8626 40DPPE C27 4767 5.241 0.294 5.362 0.1318 -0.4882 -0.1022 40DPPE H7R 4768 5.294 0.204 5.399 -0.1164 -0.4950 0.2433 40DPPE H7S 4769 5.318 0.366 5.328 0.2081 -1.8908 -3.3252 40DPPE C28 4770 5.137 0.269 5.252 -0.3065 0.7005 0.0301 40DPPE H8R 4771 5.075 0.360 5.238 -0.8413 0.9652 3.4133 40DPPE H8S 4772 5.068 0.194 5.295 -0.2211 -0.0301 -1.0697 40DPPE C29 4773 5.191 0.213 5.120 -0.0067 0.3959 0.2795 40DPPE H9R 4774 5.242 0.290 5.058 2.0183 -3.4850 -3.3716 40DPPE H9S 4775 5.095 0.199 5.065 1.3238 0.8109 -2.3007 40DPPE C210 4776 5.286 0.094 5.133 0.1971 0.5106 -0.1250 40DPPE H10R 4777 5.233 0.023 5.201 0.2915 2.2779 1.9305 40DPPE H10S 4778 5.381 0.120 5.184 1.0501 0.0439 -1.4341 40DPPE C211 4779 5.317 0.016 5.006 -0.0940 0.5218 -0.2023 40DPPE H11R 4780 5.225 0.011 4.943 0.1793 0.6042 -0.6171 40DPPE H11S 4781 5.352 -0.087 5.027 1.3080 1.1092 0.4412 40DPPE C212 4782 5.431 0.067 4.918 -0.0052 0.6958 0.0139 40DPPE H12R 4783 5.528 0.069 4.972 0.7077 5.2595 -1.0334 40DPPE H12S 4784 5.407 0.172 4.891 -0.2300 0.6416 -0.0003 40DPPE C213 4785 5.447 -0.004 4.783 0.1656 0.2846 0.2482 40DPPE H13R 4786 5.365 0.022 4.713 1.6139 1.7355 -0.9826 40DPPE H13S 4787 5.447 -0.113 4.803 0.8772 0.0430 -0.9932 40DPPE C214 4788 5.582 0.035 4.722 -0.0812 -0.4203 -0.7594 40DPPE H14R 4789 5.594 -0.024 4.628 -1.9686 -0.6528 -0.8958 40DPPE H14S 4790 5.659 0.006 4.795 0.3551 0.7586 -0.7272 40DPPE C215 4791 5.593 0.184 4.688 0.2726 -0.1124 0.6671 40DPPE H15R 4792 5.567 0.254 4.771 -1.3330 -0.4888 0.5254 40DPPE H15S 4793 5.521 0.209 4.607 0.3066 1.0766 0.9904 40DPPE C216 4794 5.737 0.219 4.651 -0.0058 -0.0599 -0.3883 40DPPE H16R 4795 5.803 0.221 4.740 1.4795 1.0102 -1.4621 40DPPE H16S 4796 5.736 0.322 4.609 -0.7844 0.4306 0.7789 40DPPE H16T 4797 5.781 0.157 4.570 0.9710 1.9571 -1.4934 40DPPE C33 4798 5.314 -0.114 5.658 0.1806 -0.3124 0.1346 40DPPE H3X 4799 5.263 -0.208 5.687 -1.2448 0.6097 0.6972 40DPPE H3Y 4800 5.393 -0.110 5.736 -0.1753 -2.6479 0.7137 40DPPE C34 4801 5.367 -0.136 5.516 0.0190 -0.4686 0.0992 40DPPE H4X 4802 5.409 -0.035 5.499 -1.6314 0.4010 1.0023 40DPPE H4Y 4803 5.283 -0.144 5.444 -0.4981 0.7170 0.5629 40DPPE C35 4804 5.479 -0.241 5.507 0.4016 -0.0484 -0.0798 40DPPE H5X 4805 5.431 -0.341 5.514 2.3382 -0.9255 1.8860 40DPPE H5Y 4806 5.551 -0.225 5.589 0.8919 2.0341 -0.8467 40DPPE C36 4807 5.537 -0.245 5.365 0.2527 0.3026 -0.1527 40DPPE H6X 4808 5.540 -0.145 5.317 -0.7871 -0.1236 -1.1474 40DPPE H6Y 4809 5.468 -0.306 5.302 1.4972 -0.2106 -1.0541 40DPPE C37 4810 5.681 -0.298 5.367 0.4305 0.7871 0.0256 40DPPE H7X 4811 5.689 -0.387 5.433 3.2019 1.2326 0.3883 40DPPE H7Y 4812 5.744 -0.220 5.414 -1.6462 2.0004 0.9744 40DPPE C38 4813 5.743 -0.336 5.233 -0.0026 -0.2719 0.1110 40DPPE H8X 4814 5.842 -0.383 5.250 -0.0335 -1.2927 -2.1463 40DPPE H8Y 4815 5.682 -0.404 5.171 -1.0653 0.0983 0.7252 40DPPE C39 4816 5.769 -0.219 5.137 -0.4001 -0.2687 0.0041 40DPPE H9X 4817 5.836 -0.146 5.187 -2.6343 2.6016 -0.9646 40DPPE H9Y 4818 5.679 -0.160 5.111 0.5644 0.3034 -2.2818 40DPPE C310 4819 5.840 -0.267 5.010 0.1771 -0.0719 0.2457 40DPPE H10X 4820 5.793 -0.362 4.976 -0.2807 0.1149 0.3466 40DPPE H10Y 4821 5.942 -0.300 5.036 0.2699 0.6839 0.8665 40DPPE C311 4822 5.843 -0.167 4.895 -0.2381 -0.0918 0.2146 40DPPE H11X 4823 5.884 -0.069 4.928 0.3211 0.0576 -0.8624 40DPPE H11Y 4824 5.743 -0.145 4.852 -0.5993 -0.5183 0.8299 40DPPE C312 4825 5.931 -0.223 4.783 -0.3973 0.2195 -0.0682 40DPPE H12X 4826 5.866 -0.295 4.728 0.4156 -1.2826 0.8805 40DPPE H12Y 4827 6.020 -0.277 4.820 -0.5874 0.2035 0.3721 40DPPE C313 4828 5.979 -0.125 4.676 -0.1063 0.6229 0.4283 40DPPE H13X 4829 6.003 -0.029 4.727 -1.1052 0.1316 1.8887 40DPPE H13Y 4830 5.901 -0.093 4.603 -0.0690 1.1666 0.6195 40DPPE C314 4831 6.105 -0.182 4.610 -0.1903 0.0172 0.7806 40DPPE H14X 4832 6.171 -0.201 4.697 -1.5289 -0.4764 1.7283 40DPPE H14Y 4833 6.152 -0.102 4.548 1.1856 0.7527 2.6786 40DPPE C315 4834 6.086 -0.307 4.524 -0.1761 0.8616 -0.4909 40DPPE H15X 4835 6.008 -0.288 4.447 -2.3874 -1.2898 1.0382 40DPPE H15Y 4836 6.037 -0.394 4.575 -0.3339 2.5989 2.5688 40DPPE C316 4837 6.205 -0.369 4.450 -0.4872 -0.2400 -0.0966 40DPPE H16X 4838 6.227 -0.462 4.506 -0.1676 -1.2669 -1.8716 40DPPE H16Y 4839 6.292 -0.302 4.437 -0.8233 -0.4080 -4.7733 40DPPE H16Z 4840 6.170 -0.402 4.350 -0.9713 0.5528 -0.2041 41DPPE N 4841 0.031 2.519 6.060 -0.2383 0.3796 0.8304 41DPPE HN1 4842 0.024 2.431 6.005 2.1231 0.3680 0.4505 41DPPE HN2 4843 0.119 2.503 6.114 2.0578 -2.9706 -3.3137 41DPPE HN3 4844 -0.055 2.528 6.118 -1.1693 -1.3743 -0.1728 41DPPE C12 4845 0.037 2.647 5.980 0.6108 -0.2341 -0.1048 41DPPE H12A 4846 0.139 2.664 5.938 -0.2580 1.4429 -1.6329 41DPPE H12B 4847 -0.020 2.640 5.885 0.7604 1.1708 -0.3243 41DPPE C11 4848 -0.012 2.771 6.054 0.2112 -0.1968 -0.4276 41DPPE H11A 4849 -0.115 2.763 6.096 1.0580 -2.4354 1.4767 41DPPE H11B 4850 -0.003 2.862 5.992 1.8527 -0.2122 -0.2507 41DPPE P 4851 0.182 2.910 6.154 0.1103 -0.1749 0.1569 41DPPE O13 4852 0.253 2.930 6.283 0.3821 -0.1709 0.0063 41DPPE O14 4853 0.122 3.030 6.091 -0.0724 -0.5251 -0.3439 41DPPE O11 4854 0.285 2.843 6.051 -0.1036 -0.0548 -0.1358 41DPPE O12 4855 0.075 2.791 6.166 0.0322 -0.1515 -0.2941 41DPPE C1 4856 0.398 2.921 6.011 0.2056 -0.5889 -0.3106 41DPPE HA 4857 0.467 2.853 5.958 0.2062 -0.6352 -0.2506 41DPPE HB 4858 0.452 2.971 6.094 -0.0699 0.5553 -0.8020 41DPPE C2 4859 0.362 3.016 5.895 0.1287 -0.3650 -0.1038 41DPPE HS 4860 0.302 3.102 5.932 -0.8948 -0.5545 -1.2732 41DPPE O21 4861 0.284 2.942 5.801 0.0319 0.0879 -0.3805 41DPPE C21 4862 0.180 3.006 5.746 -0.1385 0.1270 -0.0167 41DPPE O22 4863 0.171 3.128 5.745 0.8210 0.2067 0.3280 41DPPE C22 4864 0.073 2.913 5.690 0.3281 -0.5673 0.2235 41DPPE H2R 4865 -0.013 2.925 5.760 -1.7046 -0.4343 -2.1476 41DPPE H2S 4866 0.103 2.807 5.695 3.6673 0.2544 0.1620 41DPPE C3 4867 0.492 3.049 5.821 -0.2344 -0.2266 -0.6869 41DPPE HX 4868 0.553 2.956 5.815 -1.6122 -1.3925 1.7182 41DPPE HY 4869 0.548 3.117 5.889 -0.4564 0.3620 -1.0953 41DPPE O31 4870 0.466 3.103 5.692 0.2186 0.1233 -0.6342 41DPPE C31 4871 0.467 3.236 5.688 -0.9702 0.1700 0.1319 41DPPE O32 4872 0.475 3.313 5.783 -0.3535 0.3223 -0.0359 41DPPE C32 4873 0.460 3.282 5.542 0.1254 -0.6797 -0.2021 41DPPE H2X 4874 0.416 3.194 5.490 0.2212 -1.1097 0.4349 41DPPE H2Y 4875 0.563 3.296 5.504 0.7239 0.5048 1.7119 41DPPE C23 4876 0.021 2.962 5.555 0.5295 -0.0317 0.3380 41DPPE H3R 4877 -0.027 3.057 5.586 -2.1102 -2.0355 2.9035 41DPPE H3S 4878 -0.068 2.900 5.532 0.7317 -1.3595 2.8442 41DPPE C24 4879 0.114 2.967 5.434 0.1604 0.6619 0.0754 41DPPE H4R 4880 0.178 3.057 5.450 -0.3161 0.7927 1.2869 41DPPE H4S 4881 0.056 2.999 5.345 0.2378 0.9026 0.1100 41DPPE C25 4882 0.175 2.831 5.399 -0.3253 0.5184 -0.2309 41DPPE H5R 4883 0.098 2.753 5.411 0.7096 -0.5019 -0.0210 41DPPE H5S 4884 0.239 2.802 5.486 0.9710 0.1561 -1.2777 41DPPE C26 4885 0.251 2.816 5.267 0.3696 0.4952 0.1648 41DPPE H6R 4886 0.282 2.710 5.256 -2.0160 -0.2431 0.0009 41DPPE H6S 4887 0.337 2.886 5.271 1.0099 -0.3192 2.1156 41DPPE C27 4888 0.169 2.840 5.140 -0.3226 -0.5886 0.3959 41DPPE H7R 4889 0.118 2.938 5.152 -2.3050 -1.2071 -2.0565 41DPPE H7S 4890 0.090 2.762 5.139 -1.8950 0.9454 -1.0399 41DPPE C28 4891 0.258 2.835 5.016 -0.8335 -0.4142 0.0184 41DPPE H8R 4892 0.332 2.755 5.038 -0.7436 -0.5349 -0.7151 41DPPE H8S 4893 0.294 2.940 5.009 -1.3983 -0.1245 1.0928 41DPPE C29 4894 0.186 2.812 4.883 0.5197 -0.2498 -0.7665 41DPPE H9R 4895 0.136 2.713 4.879 -0.5473 0.0716 1.9014 41DPPE H9S 4896 0.264 2.818 4.805 -0.7565 -1.1884 -2.1810 41DPPE C210 4897 0.065 2.902 4.855 0.5279 -0.1496 -0.4849 41DPPE H10R 4898 0.074 3.002 4.903 -0.6152 -0.6363 0.7992 41DPPE H10S 4899 -0.028 2.862 4.902 -0.5973 2.8574 0.1173 41DPPE C211 4900 0.034 2.927 4.708 -0.4373 1.4447 -0.0392 41DPPE H11R 4901 -0.053 2.994 4.694 -2.5256 -1.4684 -2.2708 41DPPE H11S 4902 0.003 2.824 4.679 2.8575 0.3282 -0.0318 41DPPE C212 4903 0.147 2.974 4.615 0.1394 -0.1910 -0.1951 41DPPE H12R 4904 0.233 2.904 4.607 0.0762 -0.1775 -1.1990 41DPPE H12S 4905 0.197 3.064 4.654 0.0854 0.3860 -1.3975 41DPPE C213 4906 0.108 3.015 4.473 0.4726 -0.1908 -0.2865 41DPPE H13R 4907 0.198 3.062 4.427 -0.1419 -0.1363 -1.4769 41DPPE H13S 4908 0.030 3.094 4.480 -0.2925 -0.9933 0.4758 41DPPE C214 4909 0.054 2.897 4.391 -0.2516 -0.0502 -0.0186 41DPPE H14R 4910 -0.051 2.877 4.419 -0.5754 -0.4886 -1.4411 41DPPE H14S 4911 0.117 2.807 4.403 -0.8003 -0.5620 -0.9318 41DPPE C215 4912 0.047 2.941 4.244 0.2346 -0.1107 -0.0618 41DPPE H15R 4913 0.149 2.965 4.207 -0.0867 2.8899 0.7038 41DPPE H15S 4914 -0.021 3.027 4.223 0.8538 0.8861 1.7716 41DPPE C216 4915 -0.021 2.829 4.166 0.5795 -0.3627 -0.0054 41DPPE H16R 4916 0.028 2.732 4.190 0.5918 -0.1345 0.9569 41DPPE H16S 4917 -0.006 2.853 4.059 -0.3774 0.2438 -0.0177 41DPPE H16T 4918 -0.132 2.830 4.171 0.5634 0.0141 -0.3940 41DPPE C33 4919 0.371 3.406 5.541 0.5793 -0.3555 -0.5881 41DPPE H3X 4920 0.419 3.486 5.602 0.5633 -2.2113 2.0485 41DPPE H3Y 4921 0.283 3.361 5.592 1.5514 0.7444 2.3209 41DPPE C34 4922 0.346 3.467 5.403 -0.0050 0.5424 -0.1001 41DPPE H4X 4923 0.449 3.496 5.372 1.1331 -1.1420 1.8384 41DPPE H4Y 4924 0.300 3.565 5.428 -1.1204 0.0966 -0.3522 41DPPE C35 4925 0.256 3.379 5.316 -0.2379 0.5461 0.1351 41DPPE H5X 4926 0.314 3.284 5.315 2.5103 2.0117 2.3760 41DPPE H5Y 4927 0.272 3.421 5.214 -0.2151 -0.7377 -0.4131 41DPPE C36 4928 0.109 3.356 5.352 -0.2807 0.1806 -0.2650 41DPPE H6X 4929 0.077 3.454 5.392 0.3763 0.4555 -0.3874 41DPPE H6Y 4930 0.122 3.284 5.436 -2.7712 -0.7214 -0.5862 41DPPE C37 4931 0.030 3.296 5.236 -0.2321 -0.2043 -0.1005 41DPPE H7X 4932 -0.071 3.259 5.265 -0.5245 -0.5876 -1.5085 41DPPE H7Y 4933 0.074 3.199 5.205 -0.5320 -0.7677 1.2023 41DPPE C38 4934 0.018 3.389 5.115 0.4004 -0.0511 -0.0488 41DPPE H8X 4935 0.120 3.396 5.070 0.0287 -0.4382 -0.9885 41DPPE H8Y 4936 -0.016 3.495 5.123 1.3784 0.4097 -1.5532 41DPPE C39 4937 -0.065 3.334 4.998 0.7594 0.2428 -0.4470 41DPPE H9X 4938 -0.165 3.303 5.034 -1.1990 2.8301 -3.2238 41DPPE H9Y 4939 -0.011 3.247 4.955 -0.5001 -0.2443 -1.0742 41DPPE C310 4940 -0.087 3.433 4.884 -0.3959 0.7094 0.1700 41DPPE H10X 4941 -0.009 3.409 4.808 -1.2392 -1.3640 -0.1086 41DPPE H10Y 4942 -0.070 3.540 4.908 0.8503 1.2970 -2.8187 41DPPE C311 4943 -0.223 3.414 4.815 -0.1213 -0.3650 -0.0827 41DPPE H11X 4944 -0.296 3.434 4.895 -0.8093 0.9183 -1.0114 41DPPE H11Y 4945 -0.229 3.310 4.777 -0.5049 0.3143 -1.9813 41DPPE C312 4946 -0.248 3.496 4.688 -0.0519 -0.5931 -0.2457 41DPPE H12X 4947 -0.200 3.595 4.706 -0.2732 -0.6844 0.9648 41DPPE H12Y 4948 -0.177 3.451 4.616 -1.1238 -1.2863 -0.8938 41DPPE C313 4949 -0.390 3.493 4.631 -0.1787 -0.0019 0.0357 41DPPE H13X 4950 -0.443 3.397 4.647 -0.5359 0.2911 0.6528 41DPPE H13Y 4951 -0.387 3.522 4.524 -2.0247 1.2620 0.2793 41DPPE C314 4952 -0.489 3.595 4.688 -0.0872 0.0025 0.1881 41DPPE H14X 4953 -0.543 3.558 4.778 1.3117 -0.1755 0.9917 41DPPE H14Y 4954 -0.566 3.585 4.609 0.9119 -4.1188 -0.5187 41DPPE C315 4955 -0.436 3.738 4.703 -0.3907 0.0598 0.7620 41DPPE H15X 4956 -0.355 3.746 4.778 0.2187 0.1618 0.1092 41DPPE H15Y 4957 -0.389 3.779 4.611 0.7036 0.8073 1.6238 41DPPE C316 4958 -0.548 3.837 4.735 -0.4942 0.2728 -0.2271 41DPPE H16X 4959 -0.635 3.820 4.668 0.3778 -3.7436 -0.6090 41DPPE H16Y 4960 -0.516 3.940 4.709 0.7273 0.1719 0.8019 41DPPE H16Z 4961 -0.579 3.827 4.841 0.7150 4.1187 0.6256 42DPPE N 4962 0.122 2.414 6.399 -0.0004 -0.1206 0.5359 42DPPE HN1 4963 0.098 2.513 6.420 2.1171 0.3734 0.7842 42DPPE HN2 4964 0.180 2.423 6.313 0.0905 3.1325 0.7834 42DPPE HN3 4965 0.035 2.362 6.375 -0.5285 1.5320 -1.4704 42DPPE C12 4966 0.208 2.345 6.501 0.4589 -0.4048 -0.0351 42DPPE H12A 4967 0.151 2.332 6.596 0.2109 0.8435 0.0123 42DPPE H12B 4968 0.297 2.407 6.525 0.0789 0.9507 -1.9307 42DPPE C11 4969 0.241 2.210 6.438 0.5037 -0.3463 -0.1379 42DPPE H11A 4970 0.300 2.156 6.515 0.8471 0.8122 0.4326 42DPPE H11B 4971 0.302 2.215 6.346 -2.0142 -3.1836 -2.1897 42DPPE P 4972 0.157 2.001 6.322 -0.2263 0.2155 0.1187 42DPPE O13 4973 0.040 1.909 6.327 -0.5021 0.5756 0.3146 42DPPE O14 4974 0.282 1.944 6.377 -0.3873 -0.0367 0.2244 42DPPE O11 4975 0.191 2.052 6.174 0.4544 0.2652 0.2907 42DPPE O12 4976 0.124 2.136 6.400 0.0137 0.3841 -0.0710 42DPPE C1 4977 0.086 2.134 6.121 0.7492 -0.2208 -1.0942 42DPPE HA 4978 0.129 2.209 6.051 1.0478 -0.7999 -1.5390 42DPPE HB 4979 0.031 2.179 6.207 2.0404 -0.3581 -0.1579 42DPPE C2 4980 -0.013 2.042 6.049 -0.2857 -0.2183 0.2714 42DPPE HS 4981 -0.087 2.013 6.127 0.9181 1.1836 1.9943 42DPPE O21 4982 0.058 1.927 6.003 0.1101 0.1839 -0.1356 42DPPE C21 4983 -0.020 1.821 5.985 -0.1896 0.3863 -0.0445 42DPPE O22 4984 -0.138 1.817 6.018 -0.4027 -0.3126 -0.8524 42DPPE C22 4985 0.062 1.718 5.909 -0.4335 0.0512 0.1416 42DPPE H2R 4986 0.067 1.623 5.968 -0.5123 0.0033 0.0719 42DPPE H2S 4987 0.165 1.757 5.892 -0.7630 0.8694 0.0290 42DPPE C3 4988 -0.086 2.106 5.929 -0.4969 -0.3239 0.3431 42DPPE HX 4989 -0.125 2.205 5.964 -1.7600 -0.5047 -0.4844 42DPPE HY 4990 -0.169 2.035 5.905 -0.6340 -0.3418 0.8454 42DPPE O31 4991 0.007 2.120 5.822 -0.2668 0.0669 0.5881 42DPPE C31 4992 0.048 2.241 5.785 -0.7247 0.0448 -0.0098 42DPPE O32 4993 0.015 2.347 5.836 -0.2192 0.2210 -0.0429 42DPPE C32 4994 0.148 2.228 5.671 -0.7121 0.0615 -0.0010 42DPPE H2X 4995 0.118 2.294 5.587 0.9079 -2.9289 -3.1855 42DPPE H2Y 4996 0.146 2.123 5.635 0.0271 -0.8765 2.4834 42DPPE C23 4997 0.003 1.694 5.770 0.1298 0.4732 -0.1729 42DPPE H3R 4998 -0.017 1.793 5.723 -0.6488 0.1650 -0.5081 42DPPE H3S 4999 -0.096 1.644 5.771 -0.1216 0.6059 -3.9425 42DPPE C24 5000 0.089 1.607 5.678 -0.3739 -0.0757 -0.1323 42DPPE H4R 5001 0.123 1.522 5.741 -2.1003 -0.2062 0.6819 42DPPE H4S 5002 0.187 1.649 5.646 0.7789 -2.3193 0.2189 42DPPE C25 5003 0.025 1.545 5.554 0.4238 -0.2131 -0.4838 42DPPE H5R 5004 -0.076 1.510 5.586 1.3529 -2.5990 0.1294 42DPPE H5S 5005 0.091 1.461 5.524 -0.3931 -0.6020 -1.2380 42DPPE C26 5006 0.022 1.648 5.442 0.0959 0.1798 -0.1163 42DPPE H6R 5007 0.125 1.684 5.419 -0.1223 1.5077 0.8293 42DPPE H6S 5008 -0.035 1.732 5.488 -0.9760 -0.9280 0.6460 42DPPE C27 5009 -0.048 1.589 5.320 -0.4078 0.0277 0.2411 42DPPE H7R 5010 -0.125 1.664 5.289 0.9800 0.1208 -3.5293 42DPPE H7S 5011 -0.103 1.495 5.338 -2.1932 1.2807 1.8283 42DPPE C28 5012 0.040 1.554 5.200 -0.5050 0.1767 0.1225 42DPPE H8R 5013 0.086 1.458 5.232 0.1117 -0.7809 -3.2156 42DPPE H8S 5014 0.123 1.627 5.192 0.5330 -1.0928 -1.3453 42DPPE C29 5015 -0.047 1.540 5.075 -0.1831 -0.2363 -0.0611 42DPPE H9R 5016 -0.128 1.469 5.104 -0.2141 -1.4457 -2.8397 42DPPE H9S 5017 -0.086 1.636 5.036 -1.0236 -0.2431 0.7098 42DPPE C210 5018 0.021 1.484 4.950 -0.6532 0.2927 -0.5645 42DPPE H10R 5019 0.091 1.556 4.903 1.2668 -0.5064 0.9378 42DPPE H10S 5020 0.064 1.387 4.984 -2.2746 0.1239 1.2036 42DPPE C211 5021 -0.076 1.431 4.845 -0.2027 -0.6244 -0.5334 42DPPE H11R 5022 -0.117 1.334 4.880 0.0906 -0.1441 1.2390 42DPPE H11S 5023 -0.167 1.494 4.832 -0.8160 -1.0097 1.5301 42DPPE C212 5024 -0.021 1.402 4.706 0.5494 -0.3899 -0.2866 42DPPE H12R 5025 -0.100 1.338 4.661 -2.8828 1.3785 2.7778 42DPPE H12S 5026 0.082 1.359 4.706 -0.0273 -1.8244 -0.2790 42DPPE C213 5027 -0.008 1.518 4.608 -0.0307 -0.1173 -0.0435 42DPPE H13R 5028 0.045 1.477 4.519 0.9636 1.8070 -0.4129 42DPPE H13S 5029 0.055 1.592 4.663 1.5206 -1.0078 -0.5514 42DPPE C214 5030 -0.135 1.585 4.553 0.0925 0.3170 0.1942 42DPPE H14R 5031 -0.181 1.647 4.632 -1.4823 -0.5326 -0.0204 42DPPE H14S 5032 -0.208 1.511 4.515 -0.9248 1.9158 -1.0739 42DPPE C215 5033 -0.109 1.673 4.432 0.4092 -0.3205 -0.2087 42DPPE H15R 5034 0.000 1.684 4.413 -0.1619 1.2273 -3.4379 42DPPE H15S 5035 -0.143 1.776 4.456 1.6228 0.7551 -2.6401 42DPPE C216 5036 -0.187 1.646 4.303 0.1207 -0.4726 -0.0009 42DPPE H16R 5037 -0.294 1.648 4.334 0.0454 -2.1386 -0.0499 42DPPE H16S 5038 -0.167 1.552 4.246 0.2673 -1.3448 1.4250 42DPPE H16T 5039 -0.164 1.723 4.227 -1.1324 -0.4043 -0.3329 42DPPE C33 5040 0.288 2.260 5.724 -0.4887 0.0994 -0.6037 42DPPE H3X 5041 0.357 2.204 5.657 -0.6929 0.3412 -1.0123 42DPPE H3Y 5042 0.302 2.205 5.820 0.0100 -1.4073 -1.5010 42DPPE C34 5043 0.310 2.411 5.735 0.8868 -0.1149 -0.1215 42DPPE H4X 5044 0.288 2.450 5.837 -0.5122 4.4612 -1.9060 42DPPE H4Y 5045 0.235 2.470 5.678 0.7868 0.1877 0.3159 42DPPE C35 5046 0.439 2.464 5.672 1.1667 -0.0379 0.5068 42DPPE H5X 5047 0.461 2.409 5.578 1.9615 0.9878 0.0853 42DPPE H5Y 5048 0.514 2.449 5.753 1.6771 0.7842 0.1897 42DPPE C36 5049 0.445 2.615 5.649 -0.1516 -0.1076 -0.4296 42DPPE H6X 5050 0.382 2.659 5.729 -2.1899 -2.2633 -0.7341 42DPPE H6Y 5051 0.382 2.627 5.558 -0.9636 -1.3246 -0.0598 42DPPE C37 5052 0.590 2.659 5.625 -0.0448 0.0815 0.5145 42DPPE H7X 5053 0.657 2.588 5.572 1.4830 1.3018 0.7356 42DPPE H7Y 5054 0.629 2.674 5.728 -0.4099 -1.0677 0.8443 42DPPE C38 5055 0.604 2.784 5.538 -0.0770 -0.1243 0.2084 42DPPE H8X 5056 0.564 2.877 5.584 0.5752 0.2860 -0.0392 42DPPE H8Y 5057 0.548 2.754 5.447 1.0662 -3.8334 0.5505 42DPPE C39 5058 0.753 2.816 5.523 0.1072 -1.0908 -0.0430 42DPPE H9X 5059 0.800 2.724 5.480 0.9594 -1.2887 1.2571 42DPPE H9Y 5060 0.802 2.835 5.620 0.5761 2.0053 -0.7913 42DPPE C310 5061 0.760 2.935 5.428 0.3071 -0.4966 0.7072 42DPPE H10X 5062 0.864 2.974 5.432 -0.6281 2.6665 -1.3843 42DPPE H10Y 5063 0.692 3.019 5.455 -0.6273 0.0633 -2.7854 42DPPE C311 5064 0.710 2.909 5.285 -0.4502 -0.0862 0.8932 42DPPE H11X 5065 0.754 2.989 5.222 3.1006 -0.2557 2.8885 42DPPE H11Y 5066 0.599 2.922 5.289 -0.4722 -0.0937 0.2742 42DPPE C312 5067 0.756 2.776 5.227 -0.2737 0.2782 0.1961 42DPPE H12X 5068 0.736 2.696 5.302 -0.3098 0.4791 0.3985 42DPPE H12Y 5069 0.862 2.775 5.191 -0.2603 -1.3378 0.1910 42DPPE C313 5070 0.674 2.710 5.116 0.0762 0.2308 -0.0383 42DPPE H13X 5071 0.568 2.690 5.142 -0.1182 0.3264 -0.7218 42DPPE H13Y 5072 0.727 2.616 5.092 -0.2855 0.2344 -0.8853 42DPPE C314 5073 0.669 2.791 4.986 0.0883 0.5062 0.1323 42DPPE H14X 5074 0.599 2.874 5.007 0.0945 1.3106 -2.6068 42DPPE H14Y 5075 0.627 2.724 4.908 -0.2630 0.1773 0.6005 42DPPE C315 5076 0.802 2.832 4.921 0.2706 -0.2211 0.0409 42DPPE H15X 5077 0.871 2.745 4.924 0.6141 0.0797 1.9842 42DPPE H15Y 5078 0.858 2.904 4.984 -0.0442 -1.7495 2.1603 42DPPE C316 5079 0.800 2.880 4.776 0.2567 0.1121 0.1518 42DPPE H16X 5080 0.755 2.801 4.713 -0.8882 -2.3347 3.7180 42DPPE H16Y 5081 0.904 2.893 4.739 0.2992 0.9005 0.5216 42DPPE H16Z 5082 0.738 2.971 4.759 1.7064 1.5985 2.2503 43DPPE N 5083 4.395 1.251 6.200 -0.0884 0.1999 0.0189 43DPPE HN1 5084 4.313 1.211 6.250 0.4490 0.2490 0.9595 43DPPE HN2 5085 4.386 1.251 6.097 2.0593 -0.0686 -0.2236 43DPPE HN3 5086 4.392 1.351 6.227 -1.7865 0.2969 -0.4114 43DPPE C12 5087 4.532 1.196 6.235 -0.1784 -0.1113 -0.1092 43DPPE H12A 5088 4.561 1.219 6.340 0.3831 -1.1270 -0.0359 43DPPE H12B 5089 4.610 1.252 6.178 1.0988 -0.6083 1.1038 43DPPE C11 5090 4.538 1.044 6.232 -0.1706 -0.1087 -0.2409 43DPPE H11A 5091 4.628 0.995 6.277 -0.2837 -0.7667 -0.7093 43DPPE H11B 5092 4.538 1.014 6.125 0.2109 -2.7546 0.4074 43DPPE P 5093 4.432 0.813 6.271 0.0419 -0.1087 0.4480 43DPPE O13 5094 4.299 0.748 6.266 -0.1082 0.1777 0.6677 43DPPE O14 5095 4.529 0.756 6.367 0.0855 -0.3733 0.2480 43DPPE O11 5096 4.496 0.792 6.125 -0.2612 0.3020 0.2524 43DPPE O12 5097 4.428 0.972 6.289 -0.2783 -0.0224 -0.3442 43DPPE C1 5098 4.548 0.665 6.085 0.0591 0.7707 -0.8301 43DPPE HA 5099 4.511 0.640 5.983 -1.8956 -0.9087 0.2187 43DPPE HB 5100 4.523 0.584 6.156 0.6947 1.0361 -0.2893 43DPPE C2 5101 4.701 0.653 6.093 -0.0916 -0.5312 0.3633 43DPPE HS 5102 4.715 0.667 6.202 1.3000 -0.9969 0.2680 43DPPE O21 5103 4.757 0.761 6.018 0.0485 -0.4686 0.5569 43DPPE C21 5104 4.887 0.787 6.028 -0.1621 0.7033 0.3490 43DPPE O22 5105 4.958 0.733 6.111 0.0409 0.4021 -0.0154 43DPPE C22 5106 4.940 0.881 5.920 0.0283 -0.1104 -0.2791 43DPPE H2R 5107 5.046 0.906 5.939 -0.5221 2.8162 -0.5688 43DPPE H2S 5108 4.879 0.974 5.929 0.3686 -0.0025 1.2024 43DPPE C3 5109 4.748 0.513 6.050 -0.0659 -0.3185 -0.3127 43DPPE HX 5110 4.685 0.441 6.108 -2.8996 2.4335 0.2494 43DPPE HY 5111 4.859 0.512 6.064 -0.1559 1.4756 0.8355 43DPPE O31 5112 4.717 0.495 5.912 0.0421 0.1497 -0.3997 43DPPE C31 5113 4.729 0.368 5.872 0.2609 0.1333 -0.2798 43DPPE O32 5114 4.766 0.276 5.944 -0.6773 -0.1383 -0.1279 43DPPE C32 5115 4.696 0.360 5.724 -0.2477 -0.8316 -0.1238 43DPPE H2X 5116 4.679 0.462 5.681 0.4201 0.4876 2.5465 43DPPE H2Y 5117 4.600 0.306 5.706 -0.3890 -0.2996 -1.0096 43DPPE C23 5118 4.923 0.823 5.780 -0.3992 0.8076 -0.6167 43DPPE H3R 5119 4.821 0.844 5.740 -0.9780 1.8325 1.2767 43DPPE H3S 5120 4.943 0.714 5.787 -0.8079 0.8038 0.8147 43DPPE C24 5121 5.029 0.881 5.687 0.4825 0.1115 -0.0578 43DPPE H4R 5122 5.122 0.824 5.710 -0.7404 -2.5026 -1.2225 43DPPE H4S 5123 5.041 0.991 5.698 3.2336 -0.2823 1.9506 43DPPE C25 5124 5.014 0.855 5.537 0.1929 -0.0406 -0.0013 43DPPE H5R 5125 5.079 0.924 5.480 1.1054 -0.8894 0.0006 43DPPE H5S 5126 4.908 0.881 5.515 -0.4677 -2.3838 0.1533 43DPPE C26 5127 5.031 0.711 5.488 0.0069 -0.1967 0.3887 43DPPE H6R 5128 4.966 0.647 5.552 -0.5526 -1.4672 -1.3913 43DPPE H6S 5129 5.139 0.688 5.503 0.9717 3.2538 -0.5233 43DPPE C27 5130 4.983 0.694 5.344 0.3181 -0.2458 0.2889 43DPPE H7R 5131 4.886 0.749 5.337 -0.1353 -0.8618 1.3949 43DPPE H7S 5132 4.969 0.584 5.334 -0.4648 -0.1176 -0.1623 43DPPE C28 5133 5.082 0.753 5.244 -0.2371 -0.1919 -0.2384 43DPPE H8R 5134 5.103 0.858 5.273 -0.0588 0.0205 -1.1133 43DPPE H8S 5135 5.038 0.745 5.142 -0.4352 0.8956 -0.2509 43DPPE C29 5136 5.216 0.678 5.235 0.1737 0.5687 -0.6001 43DPPE H9R 5137 5.212 0.581 5.181 -0.2420 0.1160 0.2114 43DPPE H9S 5138 5.265 0.666 5.334 -0.3382 -0.5684 -0.4692 43DPPE C210 5139 5.305 0.765 5.146 0.3861 0.2204 -0.7296 43DPPE H10R 5140 5.299 0.874 5.165 0.8055 0.1318 -0.0456 43DPPE H10S 5141 5.253 0.750 5.049 -1.0434 -2.5371 0.3495 43DPPE C211 5142 5.453 0.726 5.144 0.2895 -0.1922 -0.2487 43DPPE H11R 5143 5.490 0.744 5.246 0.4767 -3.3808 0.3591 43DPPE H11S 5144 5.460 0.618 5.120 -0.7787 -0.1942 -0.6164 43DPPE C212 5145 5.534 0.818 5.053 0.0392 0.2646 -0.0116 43DPPE H12R 5146 5.641 0.825 5.084 -0.2578 -0.1053 1.1349 43DPPE H12S 5147 5.509 0.926 5.064 2.2575 0.8981 -0.5877 43DPPE C213 5148 5.524 0.785 4.904 -0.8418 0.2778 0.0437 43DPPE H13R 5149 5.417 0.811 4.887 -1.2288 -0.5836 1.0638 43DPPE H13S 5150 5.533 0.675 4.892 -1.4275 0.2993 -0.6733 43DPPE C214 5151 5.615 0.861 4.808 -0.4147 -0.3365 -0.0415 43DPPE H14R 5152 5.582 0.817 4.711 0.7625 -0.6383 -0.3175 43DPPE H14S 5153 5.720 0.841 4.837 -0.9490 -0.6302 1.8101 43DPPE C215 5154 5.583 1.011 4.803 -0.3217 -0.2916 0.7079 43DPPE H15R 5155 5.601 1.044 4.908 2.2393 -0.8605 0.5023 43DPPE H15S 5156 5.475 1.014 4.778 -1.0969 -0.8831 3.6063 43DPPE C216 5157 5.674 1.094 4.714 -0.9824 0.0218 0.3189 43DPPE H16R 5158 5.736 1.149 4.788 0.3018 0.3565 -0.9429 43DPPE H16S 5159 5.626 1.172 4.652 1.4025 -0.0899 -1.8627 43DPPE H16T 5160 5.734 1.022 4.655 -0.3601 -0.7565 1.8486 43DPPE C33 5161 4.811 0.297 5.646 0.6902 0.2572 0.3517 43DPPE H3X 5162 4.858 0.219 5.710 1.3927 0.2078 -0.2073 43DPPE H3Y 5163 4.890 0.373 5.626 -0.8940 1.6433 -0.9913 43DPPE C34 5164 4.762 0.234 5.515 -0.0549 0.8138 0.3566 43DPPE H4X 5165 4.713 0.135 5.528 1.3488 0.1901 1.1660 43DPPE H4Y 5166 4.854 0.224 5.454 0.0474 -0.6243 0.7281 43DPPE C35 5167 4.679 0.332 5.431 -0.0686 0.1279 -0.4443 43DPPE H5X 5168 4.741 0.424 5.426 0.9546 -0.4715 0.6085 43DPPE H5Y 5169 4.587 0.365 5.484 0.7659 -0.3364 1.3886 43DPPE C36 5170 4.646 0.277 5.292 0.0692 -0.1314 -0.3757 43DPPE H6X 5171 4.592 0.182 5.309 0.9495 -0.8193 -1.3484 43DPPE H6Y 5172 4.737 0.238 5.240 0.6300 1.3863 -0.5987 43DPPE C37 5173 4.576 0.383 5.207 -0.7178 -0.0166 0.4093 43DPPE H7X 5174 4.634 0.476 5.188 0.8399 -1.1675 -0.6515 43DPPE H7Y 5175 4.476 0.408 5.251 -2.0431 0.5522 -2.6948 43DPPE C38 5176 4.548 0.323 5.070 0.0260 -0.0022 0.2528 43DPPE H8X 5177 4.469 0.380 5.016 0.1093 -1.7229 -1.8551 43DPPE H8Y 5178 4.519 0.217 5.088 -0.2093 0.1672 0.8743 43DPPE C39 5179 4.678 0.319 4.988 0.1672 -0.0544 0.4783 43DPPE H9X 5180 4.658 0.235 4.917 -2.5184 1.4463 -0.7201 43DPPE H9Y 5181 4.773 0.312 5.045 0.7200 -1.1636 -0.5309 43DPPE C310 5182 4.694 0.447 4.906 -0.1145 -0.0446 0.4356 43DPPE H10X 5183 4.710 0.536 4.970 -0.0374 0.7115 -0.5993 43DPPE H10Y 5184 4.598 0.465 4.853 0.6104 -0.5929 -1.1520 43DPPE C311 5185 4.809 0.437 4.805 0.2599 0.1301 0.8456 43DPPE H11X 5186 4.808 0.517 4.729 -0.6635 -0.6156 0.0492 43DPPE H11Y 5187 4.795 0.341 4.750 -2.6242 0.3693 1.0357 43DPPE C312 5188 4.949 0.436 4.868 0.4978 0.4124 0.3248 43DPPE H12X 5189 4.960 0.341 4.924 -3.5863 -0.9678 -0.8781 43DPPE H12Y 5190 4.967 0.523 4.936 0.9188 2.5078 -2.3038 43DPPE C313 5191 5.059 0.449 4.763 0.1287 -0.1637 -0.1343 43DPPE H13X 5192 5.041 0.534 4.694 2.4340 0.1183 -0.4494 43DPPE H13Y 5193 5.046 0.358 4.700 0.4213 -1.1045 1.1252 43DPPE C314 5194 5.199 0.451 4.823 0.1106 0.7907 -0.1082 43DPPE H14X 5195 5.221 0.353 4.871 1.3396 0.9260 -0.3515 43DPPE H14Y 5196 5.199 0.519 4.910 1.1092 0.6760 -0.0033 43DPPE C315 5197 5.310 0.489 4.724 0.0705 0.9177 -0.1038 43DPPE H15X 5198 5.411 0.478 4.770 0.4251 -2.2205 -1.3993 43DPPE H15Y 5199 5.288 0.590 4.683 -2.9514 0.1704 -0.5824 43DPPE C316 5200 5.320 0.391 4.607 -0.0077 0.2124 0.4746 43DPPE H16X 5201 5.321 0.286 4.645 -1.5559 0.6231 1.7826 43DPPE H16Y 5202 5.403 0.407 4.536 -1.4534 0.8981 -1.1223 43DPPE H16Z 5203 5.230 0.414 4.546 1.4084 0.9378 -1.3974 44DPPE N 5204 0.941 5.398 6.414 -0.6359 -0.4066 -0.1872 44DPPE HN1 5205 1.007 5.442 6.347 0.6509 -3.1643 -0.8697 44DPPE HN2 5206 0.845 5.400 6.376 -0.3971 -0.0965 -0.7866 44DPPE HN3 5207 0.973 5.299 6.416 -1.8210 -0.8161 -0.9676 44DPPE C12 5208 0.949 5.464 6.550 1.0270 -0.1376 -0.3839 44DPPE H12A 5209 1.056 5.464 6.580 0.6643 2.6479 1.3050 44DPPE H12B 5210 0.893 5.409 6.630 1.2552 1.1896 0.7222 44DPPE C11 5211 0.885 5.601 6.527 -0.1705 -0.5965 0.1137 44DPPE H11A 5212 0.857 5.648 6.623 -1.7033 2.2132 -1.5674 44DPPE H11B 5213 0.791 5.577 6.471 0.2700 -0.0413 -0.8844 44DPPE P 5214 0.891 5.830 6.425 0.0691 -0.3334 -0.2590 44DPPE O13 5215 0.970 5.941 6.482 -0.2177 -0.0348 -0.4385 44DPPE O14 5216 0.748 5.818 6.464 0.0669 -0.3828 -0.2817 44DPPE O11 5217 0.898 5.844 6.266 0.2146 -0.4870 -0.2673 44DPPE O12 5218 0.963 5.689 6.446 -0.1425 -0.3470 0.4100 44DPPE C1 5219 1.031 5.845 6.215 0.1269 -0.3141 -0.4947 44DPPE HA 5220 1.034 5.771 6.133 1.4562 -2.8236 1.6779 44DPPE HB 5221 1.109 5.795 6.277 -0.0513 -0.9756 -0.8063 44DPPE C2 5222 1.081 5.980 6.160 -0.1502 0.0328 0.0888 44DPPE HS 5223 1.100 6.048 6.246 -0.0285 -0.2300 0.2707 44DPPE O21 5224 0.981 6.032 6.072 -0.1061 0.1419 0.1029 44DPPE C21 5225 0.993 6.162 6.046 -0.2813 0.1513 0.0486 44DPPE O22 5226 1.071 6.232 6.109 0.0210 0.1751 -0.3460 44DPPE C22 5227 0.896 6.213 5.941 -0.2125 -0.7891 -0.4819 44DPPE H2R 5228 0.791 6.188 5.970 -0.1597 0.9822 1.3890 44DPPE H2S 5229 0.916 6.149 5.852 1.3618 -0.2129 -0.5655 44DPPE C3 5230 1.216 5.957 6.089 -0.1882 0.6607 -0.1906 44DPPE HX 5231 1.284 5.924 6.171 -0.4326 1.6441 0.4346 44DPPE HY 5232 1.267 6.051 6.056 2.3266 -0.5075 0.1252 44DPPE O31 5233 1.212 5.860 5.985 0.0043 0.0865 0.3322 44DPPE C31 5234 1.181 5.911 5.865 0.0445 -0.2295 0.1851 44DPPE O32 5235 1.146 6.025 5.841 0.2873 -0.1603 0.1551 44DPPE C32 5236 1.211 5.800 5.766 0.1825 0.0718 -0.1116 44DPPE H2X 5237 1.109 5.767 5.735 -0.5057 1.0226 1.0655 44DPPE H2Y 5238 1.272 5.728 5.825 -0.4192 1.8573 2.8927 44DPPE C23 5239 0.913 6.358 5.897 -0.2018 -0.4415 0.6460 44DPPE H3R 5240 1.013 6.404 5.914 -0.7070 0.4812 1.2088 44DPPE H3S 5241 0.845 6.422 5.957 0.1776 -0.8840 1.5635 44DPPE C24 5242 0.886 6.382 5.748 -0.0469 -0.7518 0.5674 44DPPE H4R 5243 0.954 6.316 5.690 1.6124 1.6820 -0.3758 44DPPE H4S 5244 0.782 6.343 5.743 0.0570 -0.9013 -1.3374 44DPPE C25 5245 0.889 6.529 5.706 -0.0192 -1.0286 -0.4174 44DPPE H5R 5246 0.990 6.560 5.739 -0.1915 -2.3259 1.4391 44DPPE H5S 5247 0.813 6.574 5.773 1.0076 0.1051 0.0122 44DPPE C26 5248 0.850 6.557 5.560 -0.1610 0.0335 -0.1835 44DPPE H6R 5249 0.889 6.659 5.543 0.1280 0.1743 1.2218 44DPPE H6S 5250 0.740 6.562 5.552 -0.0402 1.4562 -1.3198 44DPPE C27 5251 0.934 6.482 5.457 0.0974 -0.1854 0.1804 44DPPE H7R 5252 0.925 6.373 5.473 0.9587 -0.1555 0.9496 44DPPE H7S 5253 1.041 6.510 5.472 0.1680 -0.8305 0.9173 44DPPE C28 5254 0.916 6.517 5.309 0.0799 -0.5732 0.0913 44DPPE H8R 5255 0.936 6.626 5.302 -1.8550 -0.2223 -0.7280 44DPPE H8S 5256 0.811 6.503 5.275 0.3422 -1.3383 -0.4575 44DPPE C29 5257 1.003 6.432 5.216 0.2349 -0.2539 -0.0570 44DPPE H9R 5258 0.972 6.327 5.236 -0.7638 0.0726 0.1330 44DPPE H9S 5259 1.108 6.451 5.248 0.5047 -0.4087 -0.8326 44DPPE C210 5260 0.975 6.448 5.067 -0.0875 0.0311 0.0358 44DPPE H10R 5261 1.020 6.540 5.024 -0.7611 -1.1900 -3.6968 44DPPE H10S 5262 0.865 6.442 5.050 0.0328 -0.8105 -0.5231 44DPPE C211 5263 1.054 6.350 4.981 -0.2460 -0.0684 0.0028 44DPPE H11R 5264 1.052 6.247 5.024 -0.1687 0.6337 1.7772 44DPPE H11S 5265 1.154 6.398 4.991 -0.0662 -0.2682 -0.7792 44DPPE C212 5266 1.033 6.343 4.830 -0.3991 0.1031 0.0159 44DPPE H12R 5267 0.930 6.302 4.818 -0.4321 0.7432 -2.3933 44DPPE H12S 5268 1.110 6.281 4.779 -0.8369 0.0155 -0.5423 44DPPE C213 5269 1.033 6.473 4.751 0.3164 0.0945 -0.0018 44DPPE H13R 5270 1.125 6.535 4.764 -0.6052 1.7279 -0.8647 44DPPE H13S 5271 0.953 6.540 4.789 0.2535 0.2146 -0.3345 44DPPE C214 5272 1.004 6.450 4.602 -0.5146 -0.0702 0.1801 44DPPE H14R 5273 0.914 6.387 4.587 1.2937 -2.3537 -1.9415 44DPPE H14S 5274 1.088 6.397 4.552 -0.6146 -0.1299 0.0760 44DPPE C215 5275 0.978 6.576 4.519 -0.0590 -0.0771 0.0228 44DPPE H15R 5276 0.911 6.645 4.575 0.9506 2.1775 -1.4079 44DPPE H15S 5277 0.922 6.548 4.428 -2.8838 3.8702 0.3017 44DPPE C216 5278 1.104 6.658 4.488 -0.3549 0.2006 -0.4598 44DPPE H16R 5279 1.101 6.763 4.523 -1.3916 -0.2456 0.8835 44DPPE H16S 5280 1.115 6.650 4.378 -1.9671 -1.4414 -0.5514 44DPPE H16T 5281 1.192 6.614 4.540 -0.3109 -0.1036 -0.7848 44DPPE C33 5282 1.288 5.848 5.642 -0.0385 -0.7455 -0.5729 44DPPE H3X 5283 1.354 5.927 5.682 -1.8106 0.7689 -0.4960 44DPPE H3Y 5284 1.218 5.901 5.574 -2.6585 -4.3123 -0.9490 44DPPE C34 5285 1.371 5.742 5.571 0.5977 -0.4041 -0.3456 44DPPE H4X 5286 1.442 5.697 5.644 1.3838 1.2259 -0.0650 44DPPE H4Y 5287 1.411 5.790 5.479 0.9208 -3.3954 -1.9091 44DPPE C35 5288 1.279 5.628 5.526 0.0665 -0.3520 0.5851 44DPPE H5X 5289 1.215 5.654 5.438 2.9318 -1.1428 -1.9005 44DPPE H5Y 5290 1.207 5.596 5.604 0.9511 0.1025 1.6174 44DPPE C36 5291 1.346 5.500 5.477 -0.2536 -0.0412 -0.7181 44DPPE H6X 5292 1.427 5.470 5.547 -0.0442 -0.5563 -1.1741 44DPPE H6Y 5293 1.273 5.417 5.472 1.2435 -1.3602 -2.0669 44DPPE C37 5294 1.415 5.512 5.341 0.2056 0.6166 -0.4319 44DPPE H7X 5295 1.481 5.423 5.351 -0.1951 0.5225 2.0512 44DPPE H7Y 5296 1.478 5.603 5.333 1.8538 -0.3850 0.4227 44DPPE C38 5297 1.338 5.485 5.212 -0.1935 -0.6095 0.0487 44DPPE H8X 5298 1.262 5.559 5.179 0.9735 0.0578 -1.1880 44DPPE H8Y 5299 1.296 5.382 5.225 -0.9811 -0.0527 2.4559 44DPPE C39 5300 1.423 5.469 5.086 -0.0870 0.1430 0.0209 44DPPE H9X 5301 1.497 5.392 5.117 1.1061 1.0810 -0.4142 44DPPE H9Y 5302 1.470 5.569 5.074 1.0646 -0.2607 0.9551 44DPPE C310 5303 1.345 5.434 4.959 0.0911 0.1012 -0.0780 44DPPE H10X 5304 1.281 5.521 4.935 -0.6137 -0.1316 0.8722 44DPPE H10Y 5305 1.284 5.342 4.975 -1.3769 0.9673 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H2X 5358 -0.509 0.722 5.588 -0.1616 -1.7004 -2.0613 45DPPE H2Y 5359 -0.463 0.554 5.653 0.0279 -0.5745 1.4738 45DPPE C23 5360 -0.279 1.114 5.632 -0.3715 0.5953 0.0437 45DPPE H3R 5361 -0.284 1.003 5.623 0.0029 0.5036 0.9422 45DPPE H3S 5362 -0.176 1.126 5.673 0.5467 0.2208 -1.9846 45DPPE C24 5363 -0.270 1.185 5.496 -0.1225 0.4204 -0.0326 45DPPE H4R 5364 -0.171 1.164 5.451 -0.1838 1.4254 -0.6474 45DPPE H4S 5365 -0.269 1.295 5.507 -1.3813 0.5717 -1.1709 45DPPE C25 5366 -0.381 1.167 5.392 0.2053 -0.9761 -0.1696 45DPPE H5R 5367 -0.475 1.212 5.433 0.7023 -0.6620 0.6660 45DPPE H5S 5368 -0.408 1.060 5.380 0.6362 -1.2358 0.9603 45DPPE C26 5369 -0.354 1.245 5.263 0.1511 -0.6213 0.0313 45DPPE H6R 5370 -0.272 1.190 5.212 -0.3766 -0.4367 -1.0389 45DPPE H6S 5371 -0.331 1.352 5.283 2.0240 -1.1099 0.6784 45DPPE C27 5372 -0.475 1.234 5.171 0.4961 -0.2212 -0.4719 45DPPE H7R 5373 -0.568 1.266 5.223 -0.8126 -2.0304 -1.5750 45DPPE H7S 5374 -0.492 1.128 5.143 0.4665 -0.1274 -0.8184 45DPPE C28 5375 -0.457 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1.395 4.381 -0.4194 1.1077 -0.1081 45DPPE C214 5393 -0.869 1.316 4.518 0.3055 -1.0654 0.1305 45DPPE H14R 5394 -0.908 1.393 4.588 -1.6010 -1.2784 -0.6193 45DPPE H14S 5395 -0.886 1.214 4.560 0.0157 -1.2198 -0.3449 45DPPE C215 5396 -0.967 1.334 4.401 0.4520 0.1383 0.1807 45DPPE H15R 5397 -1.055 1.268 4.419 0.7678 -0.1101 0.9007 45DPPE H15S 5398 -0.916 1.311 4.306 1.7134 0.2365 0.8152 45DPPE C216 5399 -1.014 1.477 4.376 0.3052 0.0597 0.0034 45DPPE H16R 5400 -1.095 1.479 4.300 0.7950 1.8686 -0.5147 45DPPE H16S 5401 -0.938 1.538 4.322 -2.0628 2.7049 -0.6010 45DPPE H16T 5402 -1.038 1.539 4.465 -0.4795 0.0807 -0.2151 45DPPE C33 5403 -0.300 0.678 5.658 -0.6004 0.1624 0.2889 45DPPE H3X 5404 -0.267 0.579 5.697 0.1141 -0.4069 -1.6648 45DPPE H3Y 5405 -0.269 0.766 5.717 4.3344 -0.9220 -0.2635 45DPPE C34 5406 -0.244 0.700 5.518 0.1758 -0.3184 0.5145 45DPPE H4X 5407 -0.281 0.798 5.479 -1.5441 -1.1036 0.0572 45DPPE H4Y 5408 -0.282 0.623 5.447 1.8666 -0.8136 0.0929 45DPPE C35 5409 -0.093 0.717 5.502 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45DPPE C311 5427 -0.068 0.623 4.824 0.4154 0.1263 0.4136 45DPPE H11X 5428 -0.176 0.648 4.828 0.4037 0.5227 -1.2772 45DPPE H11Y 5429 -0.054 0.522 4.867 1.6746 -0.7076 -1.7456 45DPPE C312 5430 -0.009 0.614 4.683 0.2013 -0.1370 0.3399 45DPPE H12X 5431 -0.059 0.530 4.629 -1.5836 1.3326 -0.4298 45DPPE H12Y 5432 0.099 0.589 4.685 0.1650 -0.4266 -0.5339 45DPPE C313 5433 -0.031 0.740 4.599 -0.0654 -0.2452 0.2468 45DPPE H13X 5434 0.039 0.821 4.629 -0.6113 0.8380 -1.2029 45DPPE H13Y 5435 -0.135 0.778 4.608 -0.5573 -1.6088 0.5267 45DPPE C314 5436 -0.017 0.724 4.447 -0.4002 0.6924 0.1037 45DPPE H14X 5437 -0.083 0.640 4.416 0.6861 0.0169 -0.4492 45DPPE H14Y 5438 0.088 0.693 4.425 -0.5077 0.2076 0.2335 45DPPE C315 5439 -0.042 0.848 4.361 0.2008 0.7678 0.0368 45DPPE H15X 5440 -0.004 0.935 4.419 1.3027 -0.8588 1.8983 45DPPE H15Y 5441 -0.151 0.862 4.347 0.2427 -0.8897 -2.3887 45DPPE C316 5442 0.038 0.852 4.231 -0.2775 -0.0276 -0.2906 45DPPE H16X 5443 0.013 0.944 4.175 -0.1268 -0.9280 -1.8827 45DPPE H16Y 5444 0.031 0.767 4.160 2.1874 0.4119 -1.1539 45DPPE H16Z 5445 0.146 0.863 4.255 -0.5257 -0.2388 1.0151 46DPPE N 5446 2.488 0.387 6.048 -0.0219 -0.1298 0.3923 46DPPE HN1 5447 2.405 0.448 6.061 -0.7543 -0.9351 -0.3551 46DPPE HN2 5448 2.470 0.303 6.108 1.0936 -0.7014 -0.0542 46DPPE HN3 5449 2.574 0.435 6.079 -0.7390 -0.1740 2.6834 46DPPE C12 5450 2.494 0.325 5.911 0.4245 0.0152 0.3445 46DPPE H12A 5451 2.390 0.285 5.904 0.3063 0.4694 -0.9061 46DPPE H12B 5452 2.509 0.414 5.846 -1.8409 -0.0403 -0.3467 46DPPE C11 5453 2.597 0.212 5.912 0.1898 -0.2128 -0.3209 46DPPE H11A 5454 2.601 0.159 5.814 4.7235 0.2187 -0.5699 46DPPE H11B 5455 2.548 0.148 5.988 -2.7281 0.6256 -1.3770 46DPPE P 5456 2.840 0.137 5.944 0.3607 -0.1239 -0.2885 46DPPE O13 5457 2.841 0.097 6.087 0.4958 1.2061 0.1012 46DPPE O14 5458 2.964 0.195 5.888 0.3240 -0.2874 -0.5408 46DPPE O11 5459 2.784 0.015 5.856 -0.2106 -0.0448 -0.0435 46DPPE O12 5460 2.731 0.254 5.940 0.2814 -0.2136 -0.7564 46DPPE C1 5461 2.857 -0.108 5.857 0.2676 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5514 2.715 0.322 4.285 -0.1965 0.8113 -0.4468 46DPPE H14R 5515 2.718 0.212 4.303 -3.0857 0.1157 -3.1627 46DPPE H14S 5516 2.762 0.330 4.185 -2.3912 -0.6151 -1.6763 46DPPE C215 5517 2.566 0.357 4.288 -0.4307 -0.1108 -0.7216 46DPPE H15R 5518 2.532 0.348 4.183 -2.4778 -0.3159 -0.0850 46DPPE H15S 5519 2.554 0.464 4.318 -0.6510 -0.4307 0.3508 46DPPE C216 5520 2.472 0.279 4.380 -0.3954 -0.4833 -0.9989 46DPPE H16R 5521 2.455 0.175 4.346 -1.1803 -0.6646 -0.0999 46DPPE H16S 5522 2.372 0.326 4.388 1.0313 2.5856 0.7857 46DPPE H16T 5523 2.505 0.274 4.486 -0.1303 -0.9609 -1.1027 46DPPE C33 5524 2.956 -0.660 5.508 0.0966 0.0059 -0.4267 46DPPE H3X 5525 3.040 -0.719 5.549 -0.3140 -0.5305 -0.3435 46DPPE H3Y 5526 3.000 -0.586 5.438 -1.6217 -1.0640 -2.7621 46DPPE C34 5527 2.864 -0.760 5.438 -0.1912 -0.4518 0.5945 46DPPE H4X 5528 2.768 -0.717 5.404 0.4177 -0.5315 -1.3552 46DPPE H4Y 5529 2.851 -0.850 5.503 1.6901 -0.7127 0.6794 46DPPE C35 5530 2.922 -0.805 5.304 -0.1731 0.7564 0.1886 46DPPE H5X 5531 2.856 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H2Y 5601 5.665 4.042 5.943 1.1540 -1.6410 -0.2254 47DPPE C23 5602 6.153 4.543 5.747 0.2426 0.5769 -0.1899 47DPPE H3R 5603 6.218 4.532 5.836 -0.6903 -1.8222 0.2719 47DPPE H3S 5604 6.151 4.653 5.731 1.2456 0.7292 0.6099 47DPPE C24 5605 6.225 4.466 5.637 -0.1643 -0.0273 -0.0375 47DPPE H4R 5606 6.165 4.458 5.544 0.0376 0.6077 -0.2293 47DPPE H4S 5607 6.248 4.360 5.663 -2.9664 -0.7768 -0.3147 47DPPE C25 5608 6.359 4.529 5.598 -0.3288 0.0489 -0.4946 47DPPE H5R 5609 6.430 4.502 5.680 -1.4408 1.2368 0.9140 47DPPE H5S 5610 6.348 4.639 5.599 3.8168 0.6319 -0.3054 47DPPE C26 5611 6.414 4.484 5.463 0.5103 0.0783 -0.1723 47DPPE H6R 5612 6.468 4.567 5.412 0.1087 -0.8278 -2.1705 47DPPE H6S 5613 6.326 4.462 5.399 1.0754 0.8257 -1.2610 47DPPE C27 5614 6.479 4.347 5.478 -0.3042 -0.2640 0.2326 47DPPE H7R 5615 6.403 4.266 5.490 -1.5599 0.6826 -0.9725 47DPPE H7S 5616 6.545 4.363 5.566 1.2048 -1.4984 -0.6218 47DPPE C28 5617 6.572 4.322 5.360 -0.3739 -0.7415 0.2740 47DPPE H8R 5618 6.602 4.420 5.317 -0.4732 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H14R 5636 6.988 4.553 5.025 -1.5488 -0.0677 0.7419 47DPPE H14S 5637 6.848 4.448 5.028 0.6437 -1.0798 2.3155 47DPPE C215 5638 6.955 4.434 4.839 0.2683 0.0082 0.1703 47DPPE H15R 5639 7.055 4.459 4.797 1.5943 0.8108 3.4632 47DPPE H15S 5640 6.876 4.503 4.804 1.0969 1.2689 0.6898 47DPPE C216 5641 6.943 4.289 4.790 0.6693 -0.2133 0.7115 47DPPE H16R 5642 7.003 4.220 4.853 -1.8751 -0.4412 3.0934 47DPPE H16S 5643 6.979 4.287 4.685 -0.9973 -2.0072 0.1203 47DPPE H16T 5644 6.839 4.250 4.798 -0.2025 1.7147 -0.4040 47DPPE C33 5645 5.780 4.066 5.765 -0.3285 -0.0815 0.2274 47DPPE H3X 5646 5.766 3.956 5.756 -1.9268 0.0862 0.3742 47DPPE H3Y 5647 5.889 4.086 5.763 -0.1260 -1.1402 -1.3170 47DPPE C34 5648 5.720 4.133 5.642 -0.3951 -0.4019 0.0821 47DPPE H4X 5649 5.609 4.121 5.642 -0.3391 -0.9581 0.0062 47DPPE H4Y 5650 5.762 4.080 5.554 0.7139 3.2097 -1.7638 47DPPE C35 5651 5.750 4.281 5.614 -0.1276 -0.4060 0.3474 47DPPE H5X 5652 5.854 4.307 5.586 -0.6370 -0.3113 -1.5938 47DPPE H5Y 5653 5.724 4.329 5.711 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5671 6.197 4.425 5.216 1.3254 -1.5240 -1.4678 47DPPE C312 5672 6.193 4.289 5.044 0.1238 0.1821 -0.6875 47DPPE H12X 5673 6.136 4.202 5.005 2.5237 -0.4954 -2.9455 47DPPE H12Y 5674 6.296 4.255 5.068 -0.1963 0.2405 0.9001 47DPPE C313 5675 6.210 4.397 4.937 0.3348 0.4763 -0.3597 47DPPE H13X 5676 6.274 4.481 4.973 1.3001 -0.2684 -0.3076 47DPPE H13Y 5677 6.110 4.434 4.905 0.5109 -0.9180 -2.7124 47DPPE C314 5678 6.262 4.348 4.802 0.5154 -0.0917 -0.0844 47DPPE H14X 5679 6.204 4.260 4.766 -1.2170 1.3617 -0.9849 47DPPE H14Y 5680 6.371 4.332 4.794 0.0557 -2.8594 -4.3561 47DPPE C315 5681 6.249 4.453 4.692 0.7084 0.4720 0.4266 47DPPE H15X 5682 6.279 4.554 4.728 -2.0680 1.3896 0.3910 47DPPE H15Y 5683 6.140 4.462 4.673 0.4780 1.2043 1.9341 47DPPE C316 5684 6.326 4.413 4.566 -0.9238 -0.0156 -0.4405 47DPPE H16X 5685 6.275 4.323 4.526 -1.1932 0.2967 -0.8060 47DPPE H16Y 5686 6.326 4.497 4.494 -0.8434 -1.3236 -2.0140 47DPPE H16Z 5687 6.431 4.393 4.594 -1.2108 1.1258 1.7031 48DPPE N 5688 4.152 3.419 6.741 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4.317 3.404 6.139 -0.1975 -0.9070 0.3083 48DPPE HS 5707 4.207 3.416 6.124 -0.2839 -3.8940 -2.5368 48DPPE O21 5708 4.349 3.265 6.139 0.9356 -0.6509 0.1488 48DPPE C21 5709 4.277 3.197 6.228 0.3582 0.0412 0.2141 48DPPE O22 5710 4.189 3.244 6.299 -0.2929 -0.1436 -0.4498 48DPPE C22 5711 4.313 3.050 6.212 0.2696 -0.0074 0.4534 48DPPE H2R 5712 4.248 2.989 6.279 0.2268 0.6315 1.0079 48DPPE H2S 5713 4.420 3.043 6.241 1.1703 2.0648 -1.9138 48DPPE C3 5714 4.370 3.464 6.008 -0.1918 0.7648 1.0503 48DPPE HX 5715 4.353 3.574 6.013 -0.2818 0.7918 0.2518 48DPPE HY 5716 4.304 3.426 5.927 -0.5812 1.7321 0.8981 48DPPE O31 5717 4.504 3.427 5.975 -0.6522 0.7065 -0.9022 48DPPE C31 5718 4.595 3.524 5.987 0.0580 -0.0780 0.2468 48DPPE O32 5719 4.575 3.634 6.036 0.1868 0.2832 -0.5027 48DPPE C32 5720 4.736 3.470 5.967 0.2270 0.3355 0.3164 48DPPE H2X 5721 4.739 3.385 5.896 -0.8314 2.1836 -2.0587 48DPPE H2Y 5722 4.773 3.428 6.063 3.5009 -1.0904 -1.4168 48DPPE C23 5723 4.286 3.010 6.067 -0.1702 -0.1233 0.5658 48DPPE H3R 5724 4.346 3.076 6.000 0.4104 1.0126 2.1316 48DPPE H3S 5725 4.175 3.015 6.059 -0.1035 -0.3770 -0.7761 48DPPE C24 5726 4.306 2.861 6.039 -0.0490 -0.0620 0.3156 48DPPE H4R 5727 4.244 2.814 6.118 0.0270 2.0734 1.7397 48DPPE H4S 5728 4.409 2.828 6.063 0.2944 0.4614 -0.4111 48DPPE C25 5729 4.251 2.816 5.904 0.3740 0.4417 -0.0263 48DPPE H5R 5730 4.298 2.886 5.832 -0.4190 -1.9867 -3.1514 48DPPE H5S 5731 4.143 2.842 5.909 0.7047 1.7855 0.5056 48DPPE C26 5732 4.297 2.673 5.875 -0.5074 0.0600 0.3928 48DPPE H6R 5733 4.222 2.601 5.913 0.4501 -0.5030 1.2829 48DPPE H6S 5734 4.393 2.662 5.931 1.5351 0.0622 -2.8242 48DPPE C27 5735 4.328 2.639 5.729 0.2862 -0.3587 0.6498 48DPPE H7R 5736 4.355 2.531 5.726 0.6319 -0.2683 0.3589 48DPPE H7S 5737 4.412 2.704 5.696 -1.1756 0.1701 -2.4105 48DPPE C28 5738 4.207 2.658 5.637 0.2239 -0.6805 0.6642 48DPPE H8R 5739 4.169 2.762 5.642 -1.5781 -1.2588 -0.0024 48DPPE H8S 5740 4.119 2.603 5.678 2.0348 -1.6386 3.5488 48DPPE C29 5741 4.232 2.624 5.490 0.0739 -0.4161 0.5763 48DPPE H9R 5742 4.325 2.677 5.458 -0.2709 0.1648 0.5312 48DPPE H9S 5743 4.143 2.654 5.432 -1.3238 1.3482 3.4431 48DPPE C210 5744 4.234 2.474 5.462 0.5676 -0.3402 0.1955 48DPPE H10R 5745 4.128 2.442 5.473 -0.3382 1.3891 -2.4890 48DPPE H10S 5746 4.301 2.422 5.534 0.7385 -0.3833 0.0101 48DPPE C211 5747 4.286 2.449 5.320 -0.7422 -0.1851 -0.3191 48DPPE H11R 5748 4.328 2.347 5.311 0.2128 0.0580 1.2006 48DPPE H11S 5749 4.372 2.518 5.307 -0.8260 -0.3228 -1.8040 48DPPE C212 5750 4.186 2.488 5.210 -0.7901 0.3663 -0.0825 48DPPE H12R 5751 4.177 2.599 5.201 -0.6869 0.2736 -1.6111 48DPPE H12S 5752 4.092 2.438 5.241 0.0413 -0.1647 1.7198 48DPPE C213 5753 4.233 2.444 5.071 0.0175 -0.0167 0.3052 48DPPE H13R 5754 4.144 2.431 5.006 0.2773 0.9005 -0.2467 48DPPE H13S 5755 4.285 2.346 5.074 0.9046 0.4517 0.7014 48DPPE C214 5756 4.329 2.549 5.016 -0.1943 0.1107 0.1770 48DPPE H14R 5757 4.432 2.542 5.058 -0.1540 1.4431 0.3365 48DPPE H14S 5758 4.284 2.650 5.027 -1.5858 -0.5723 0.9254 48DPPE C215 5759 4.342 2.529 4.865 -0.7333 0.1517 0.1259 48DPPE H15R 5760 4.247 2.516 4.808 0.0362 -1.3757 -0.8679 48DPPE H15S 5761 4.383 2.427 4.851 1.8814 1.3513 -1.6005 48DPPE C216 5762 4.420 2.643 4.799 -0.4955 0.0937 0.3068 48DPPE H16R 5763 4.419 2.625 4.690 -0.1398 -0.9367 0.4625 48DPPE H16S 5764 4.526 2.637 4.830 -0.8525 0.2735 1.6244 48DPPE H16T 5765 4.385 2.746 4.820 -1.5599 0.0508 -1.0946 48DPPE C33 5766 4.825 3.577 5.903 0.1046 0.3853 0.2294 48DPPE H3X 5767 4.924 3.531 5.928 0.2913 -0.0289 -1.2075 48DPPE H3Y 5768 4.811 3.669 5.964 -0.4393 0.8145 -0.5390 48DPPE C34 5769 4.806 3.592 5.752 -0.0374 -0.2056 0.1837 48DPPE H4X 5770 4.864 3.676 5.707 -0.9648 0.1376 -0.3865 48DPPE H4Y 5771 4.700 3.612 5.725 0.4398 1.0177 -0.9017 48DPPE C35 5772 4.850 3.471 5.670 0.1486 -0.1856 0.2527 48DPPE H5X 5773 4.797 3.382 5.709 0.8030 -1.2025 -1.0826 48DPPE H5Y 5774 4.959 3.449 5.678 0.0996 -1.3193 -1.5775 48DPPE C36 5775 4.814 3.496 5.523 -0.1307 0.2418 0.3941 48DPPE H6X 5776 4.706 3.526 5.522 -2.0534 -5.5198 0.3201 48DPPE H6Y 5777 4.815 3.401 5.466 -2.9014 -0.4185 1.2881 48DPPE C37 5778 4.905 3.598 5.454 0.2327 -0.2201 0.1864 48DPPE H7X 5779 5.010 3.577 5.482 1.4426 2.4805 -1.8769 48DPPE H7Y 5780 4.884 3.705 5.475 -1.2928 -1.0851 4.0511 48DPPE C38 5781 4.896 3.582 5.303 -0.0587 0.3098 0.1425 48DPPE H8X 5782 4.808 3.635 5.261 -1.6578 -0.9937 1.7146 48DPPE H8Y 5783 4.882 3.475 5.273 0.8082 0.1737 0.1878 48DPPE C39 5784 5.025 3.627 5.233 -0.3060 -0.0076 -0.5353 48DPPE H9X 5785 5.112 3.576 5.279 -0.4606 -0.1240 -0.3674 48DPPE H9Y 5786 5.042 3.736 5.248 0.3582 -0.1087 -0.5125 48DPPE C310 5787 5.023 3.601 5.083 0.3033 1.3784 -0.8003 48DPPE H10X 5788 5.024 3.491 5.063 0.4198 1.1978 0.1668 48DPPE H10Y 5789 5.120 3.632 5.038 1.0766 0.9838 0.5605 48DPPE C311 5790 4.903 3.665 5.011 -1.0168 0.0049 0.1106 48DPPE H11X 5791 4.883 3.769 5.045 0.1375 -0.5803 2.9304 48DPPE H11Y 5792 4.802 3.626 5.035 -0.9281 0.7459 1.8393 48DPPE C312 5793 4.909 3.646 4.859 -0.2737 0.2432 0.1041 48DPPE H12X 5794 5.016 3.653 4.829 -0.1957 0.9303 0.5163 48DPPE H12Y 5795 4.861 3.739 4.820 2.0987 0.8709 -1.5819 48DPPE C313 5796 4.837 3.522 4.806 0.6357 -0.4049 0.3699 48DPPE H13X 5797 4.733 3.525 4.844 -0.1848 0.3641 -1.7745 48DPPE H13Y 5798 4.888 3.424 4.820 1.2474 -0.2004 -0.3118 48DPPE C314 5799 4.814 3.543 4.656 0.2045 -0.0482 0.4838 48DPPE H14X 5800 4.912 3.533 4.603 0.0729 1.6274 -0.1445 48DPPE H14Y 5801 4.784 3.649 4.641 -0.1763 -0.2470 -0.2328 48DPPE C315 5802 4.727 3.445 4.577 0.1700 0.1896 0.2252 48DPPE H15X 5803 4.734 3.474 4.470 -1.6371 0.5796 0.1747 48DPPE H15Y 5804 4.619 3.459 4.599 0.0915 2.3542 -1.1971 48DPPE C316 5805 4.773 3.301 4.601 -0.3760 -0.0507 -0.1511 48DPPE H16X 5806 4.712 3.229 4.543 -1.6166 2.9575 -2.9295 48DPPE H16Y 5807 4.799 3.288 4.708 1.3496 2.4681 -0.1654 48DPPE H16Z 5808 4.874 3.293 4.555 -1.2016 -4.3113 -1.7166 49DPPE N 5809 1.604 2.281 6.440 -0.0480 0.2810 -0.2023 49DPPE HN1 5810 1.637 2.335 6.522 -2.0916 0.7759 0.3671 49DPPE HN2 5811 1.511 2.246 6.472 -0.0232 -0.4165 -0.8458 49DPPE HN3 5812 1.660 2.198 6.412 -0.2863 -0.2906 0.9593 49DPPE C12 5813 1.570 2.361 6.316 0.2462 -0.2944 -0.6567 49DPPE H12A 5814 1.487 2.433 6.334 1.6720 0.9397 1.3566 49DPPE H12B 5815 1.548 2.285 6.238 1.7784 -1.7161 0.2276 49DPPE C11 5816 1.688 2.447 6.271 -0.1012 0.7741 0.4275 49DPPE H11A 5817 1.688 2.535 6.339 -1.0539 1.1942 -0.1021 49DPPE H11B 5818 1.673 2.485 6.167 0.5101 1.4424 0.5767 49DPPE P 5819 1.934 2.469 6.253 0.3288 -0.2845 0.2972 49DPPE O13 5820 2.053 2.381 6.245 0.6324 0.1801 -0.4356 49DPPE O14 5821 1.935 2.585 6.345 -0.0613 0.2468 -0.3619 49DPPE O11 5822 1.908 2.511 6.101 -0.1689 -1.0657 0.1592 49DPPE O12 5823 1.810 2.372 6.279 -0.2891 0.4060 -0.0615 49DPPE C1 5824 1.958 2.426 5.998 0.0771 0.1823 -0.7860 49DPPE HA 5825 1.893 2.423 5.908 -1.0947 0.5844 0.0357 49DPPE HB 5826 1.957 2.321 6.035 2.6880 0.6707 1.0118 49DPPE C2 5827 2.095 2.473 5.945 0.1783 -0.1047 -0.7822 49DPPE HS 5828 2.152 2.496 6.037 0.1697 -2.6447 -0.0468 49DPPE O21 5829 2.070 2.593 5.871 0.3897 0.0744 -0.5641 49DPPE C21 5830 2.173 2.674 5.850 0.1924 0.3094 -0.6234 49DPPE O22 5831 2.285 2.657 5.894 -0.0817 -0.2028 -0.1046 49DPPE C22 5832 2.133 2.801 5.775 -0.3238 0.3678 -0.2575 49DPPE H2R 5833 2.147 2.898 5.829 0.7577 0.7091 -1.1132 49DPPE H2S 5834 2.027 2.793 5.744 -0.2293 1.7507 -1.0214 49DPPE C3 5835 2.174 2.368 5.864 0.2137 -0.4266 -0.3342 49DPPE HX 5836 2.188 2.281 5.932 3.9961 -1.0989 -1.7122 49DPPE HY 5837 2.270 2.410 5.827 -0.8202 1.1542 -1.3137 49DPPE O31 5838 2.095 2.337 5.749 0.0672 0.0678 -0.3720 49DPPE C31 5839 2.084 2.211 5.705 0.0191 -0.0429 -0.0480 49DPPE O32 5840 2.131 2.115 5.763 0.1786 0.4161 0.6032 49DPPE C32 5841 1.996 2.206 5.581 -0.0599 0.1843 -0.0034 49DPPE H2X 5842 2.071 2.229 5.502 -1.7069 0.8550 -1.4266 49DPPE H2Y 5843 1.916 2.282 5.586 -0.4851 -0.0512 -2.0120 49DPPE C23 5844 2.228 2.804 5.655 0.0504 -0.2206 0.0204 49DPPE H3R 5845 2.328 2.829 5.698 -0.7815 -0.8587 2.5199 49DPPE H3S 5846 2.201 2.892 5.594 -0.9039 -1.4114 -1.3350 49DPPE C24 5847 2.225 2.684 5.560 -0.3836 -0.1450 -0.0599 49DPPE H4R 5848 2.135 2.623 5.584 0.8163 -1.5551 1.0364 49DPPE H4S 5849 2.314 2.620 5.572 -0.6121 -0.5696 -0.5869 49DPPE C25 5850 2.223 2.721 5.412 0.0927 -0.0351 -0.0396 49DPPE H5R 5851 2.322 2.765 5.388 -1.3850 4.0833 0.7200 49DPPE H5S 5852 2.144 2.790 5.376 -0.5329 -1.7922 -2.3322 49DPPE C26 5853 2.208 2.590 5.334 0.3166 -0.3461 0.4378 49DPPE H6R 5854 2.136 2.528 5.392 0.2757 0.2961 1.0794 49DPPE H6S 5855 2.312 2.549 5.338 0.5722 0.1482 -0.7919 49DPPE C27 5856 2.178 2.609 5.186 0.2158 -0.0118 0.5028 49DPPE H7R 5857 2.086 2.672 5.196 -0.5679 -0.9487 -0.5205 49DPPE H7S 5858 2.146 2.511 5.144 -1.9845 1.0390 -0.4542 49DPPE C28 5859 2.293 2.662 5.100 -0.0378 -0.0670 0.1211 49DPPE H8R 5860 2.379 2.595 5.124 -0.2525 -0.5686 -0.5020 49DPPE H8S 5861 2.312 2.769 5.124 -0.0250 -0.4557 2.0007 49DPPE C29 5862 2.260 2.659 4.951 -0.8357 0.0730 0.2920 49DPPE H9R 5863 2.163 2.711 4.934 -0.7322 -0.1882 -1.1721 49DPPE H9S 5864 2.253 2.555 4.913 0.1368 -0.3435 1.1903 49DPPE C210 5865 2.382 2.720 4.882 -0.6958 -0.1129 0.3759 49DPPE H10R 5866 2.469 2.675 4.934 0.0702 -2.0287 -2.3230 49DPPE H10S 5867 2.384 2.831 4.887 1.4318 -0.0406 -0.7526 49DPPE C211 5868 2.401 2.678 4.736 0.5389 0.3751 0.3850 49DPPE H11R 5869 2.326 2.730 4.673 -0.5395 0.0190 1.3530 49DPPE H11S 5870 2.392 2.568 4.727 1.1168 -0.0927 3.9921 49DPPE C212 5871 2.534 2.727 4.677 0.6090 -0.0554 0.1861 49DPPE H12R 5872 2.611 2.675 4.739 0.0139 -2.5603 -1.0263 49DPPE H12S 5873 2.536 2.837 4.688 -2.6871 0.2402 -1.0734 49DPPE C213 5874 2.562 2.696 4.530 0.0620 -0.5213 0.1760 49DPPE H13R 5875 2.646 2.763 4.503 -2.1602 1.9396 -1.0623 49DPPE H13S 5876 2.482 2.730 4.461 -0.7757 -1.3819 0.7049 49DPPE C214 5877 2.600 2.552 4.494 -0.0515 -0.4468 -0.2542 49DPPE H14R 5878 2.521 2.490 4.541 -0.8014 0.8685 0.2904 49DPPE H14S 5879 2.701 2.528 4.535 0.6448 0.7714 -1.1842 49DPPE C215 5880 2.613 2.529 4.344 -0.6230 -0.0159 -0.3723 49DPPE H15R 5881 2.658 2.615 4.288 1.4327 -0.8922 -0.1832 49DPPE H15S 5882 2.514 2.503 4.301 0.0665 -2.9934 -0.3502 49DPPE C216 5883 2.697 2.404 4.315 -0.6954 -0.2178 0.2805 49DPPE H16R 5884 2.803 2.416 4.344 -0.7966 -0.5540 0.7981 49DPPE H16S 5885 2.698 2.364 4.211 0.0105 -0.2872 0.3132 49DPPE H16T 5886 2.664 2.314 4.370 0.8188 -0.8958 0.1156 49DPPE C33 5887 1.937 2.065 5.571 -0.1127 0.2112 -0.0692 49DPPE H3X 5888 1.882 2.058 5.667 2.3175 -0.0896 1.3871 49DPPE H3Y 5889 2.014 1.985 5.577 1.5930 1.8778 1.8278 49DPPE C34 5890 1.830 2.046 5.463 -0.0540 0.1015 -0.1078 49DPPE H4X 5891 1.747 2.116 5.485 0.8318 0.5190 2.1532 49DPPE H4Y 5892 1.792 1.942 5.468 3.6558 -1.4490 -0.7916 49DPPE C35 5893 1.873 2.073 5.319 0.1395 0.4149 0.0068 49DPPE H5X 5894 1.881 2.182 5.300 -1.7785 0.9009 1.6876 49DPPE H5Y 5895 1.804 2.026 5.246 0.4372 -0.8483 0.5176 49DPPE C36 5896 2.007 2.006 5.286 -0.2507 -0.3697 -0.0133 49DPPE H6X 5897 1.998 1.896 5.299 -0.1082 -0.3634 0.1406 49DPPE H6Y 5898 2.086 2.034 5.359 1.1275 -0.7019 -1.3232 49DPPE C37 5899 2.052 2.042 5.144 -0.3619 0.0361 0.0512 49DPPE H7X 5900 2.118 1.964 5.101 -0.8475 -0.6041 0.4447 49DPPE H7Y 5901 2.119 2.129 5.154 -1.7541 1.1777 -0.2134 49DPPE C38 5902 1.945 2.055 5.035 -0.4121 0.2212 0.1240 49DPPE H8X 5903 1.889 2.146 5.067 0.4317 0.9396 -0.3768 49DPPE H8Y 5904 1.882 1.964 5.027 0.0476 -0.0224 -0.8833 49DPPE C39 5905 2.010 2.077 4.899 -0.3989 0.6131 0.1924 49DPPE H9X 5906 2.075 1.991 4.872 -3.1000 -1.2033 -0.9258 49DPPE H9Y 5907 2.073 2.167 4.918 1.6240 -1.1264 2.2225 49DPPE C310 5908 1.907 2.097 4.788 0.1460 -0.2414 -0.4803 49DPPE H10X 5909 1.857 2.194 4.809 -1.6314 -1.4678 1.3879 49DPPE H10Y 5910 1.828 2.019 4.792 -0.0602 -0.0333 -0.4510 49DPPE C311 5911 1.959 2.085 4.644 0.5522 0.8593 -0.4329 49DPPE H11X 5912 2.016 1.992 4.625 2.4681 1.7223 0.7027 49DPPE H11Y 5913 2.039 2.162 4.653 0.7241 0.5953 0.4404 49DPPE C312 5914 1.849 2.115 4.543 -0.3319 -0.0344 0.2451 49DPPE H12X 5915 1.807 2.215 4.569 -2.0615 0.3039 -3.1939 49DPPE H12Y 5916 1.759 2.050 4.546 -0.3971 0.0920 1.7691 49DPPE C313 5917 1.893 2.119 4.396 -0.5820 0.3846 0.1789 49DPPE H13X 5918 1.985 2.180 4.400 -0.4743 0.1657 1.3832 49DPPE H13Y 5919 1.814 2.179 4.347 -1.1868 0.3787 1.1207 49DPPE C314 5920 1.920 1.984 4.330 0.1260 0.5120 0.2042 49DPPE H14X 5921 1.821 1.935 4.333 -0.0635 0.8612 -0.2039 49DPPE H14Y 5922 1.986 1.940 4.408 -1.8349 0.0962 1.6924 49DPPE C315 5923 1.979 1.967 4.189 -0.3892 -0.6748 0.1230 49DPPE H15X 5924 2.059 2.044 4.188 -1.3437 0.3397 -0.7277 49DPPE H15Y 5925 1.899 1.987 4.114 3.2983 1.0430 -3.7579 49DPPE C316 5926 2.052 1.834 4.176 -0.2406 -0.5581 -0.2444 49DPPE H16X 5927 2.142 1.831 4.242 -1.3835 0.9597 1.4884 49DPPE H16Y 5928 2.089 1.810 4.074 1.7777 0.4563 0.1929 49DPPE H16Z 5929 1.991 1.745 4.203 -2.5859 0.1560 -2.7921 50DPPE N 5930 4.747 3.199 6.479 0.0478 -0.1408 0.2465 50DPPE HN1 5931 4.843 3.229 6.505 -0.0604 0.3440 0.1011 50DPPE HN2 5932 4.700 3.292 6.480 -1.7337 -0.9741 -0.3747 50DPPE HN3 5933 4.710 3.141 6.557 0.7038 -0.9273 -0.0140 50DPPE C12 5934 4.740 3.136 6.343 0.5978 -0.6681 0.4578 50DPPE H12A 5935 4.633 3.144 6.313 0.2302 0.3123 1.9208 50DPPE H12B 5936 4.750 3.025 6.338 1.3069 -0.5718 -1.9907 50DPPE C11 5937 4.835 3.209 6.249 -0.2785 0.3488 0.3455 50DPPE H11A 5938 4.827 3.315 6.281 1.4671 0.5217 0.3155 50DPPE H11B 5939 4.809 3.188 6.143 1.0342 0.2040 0.0277 50DPPE P 5940 5.070 3.281 6.232 -0.1182 -0.0897 -0.0829 50DPPE O13 5941 5.200 3.212 6.215 -0.0006 -0.0656 0.6727 50DPPE O14 5942 5.063 3.385 6.337 -0.1711 0.7014 -0.8589 50DPPE O11 5943 5.021 3.334 6.090 -0.7031 -0.3169 0.0329 50DPPE O12 5944 4.969 3.163 6.270 -0.3128 0.1392 0.1120 50DPPE C1 5945 5.050 3.242 5.983 0.1753 -0.6809 0.5749 50DPPE HA 5946 4.962 3.257 5.917 -0.8400 -0.3777 1.9459 50DPPE HB 5947 5.046 3.135 6.011 -1.3086 -1.3741 -1.9978 50DPPE C2 5948 5.179 3.279 5.908 -0.0578 0.3115 0.6406 50DPPE HS 5949 5.263 3.254 5.977 0.3016 1.0625 0.4896 50DPPE O21 5950 5.170 3.420 5.887 -0.3032 0.2129 0.0709 50DPPE C21 5951 5.285 3.486 5.885 -0.0580 -0.2265 -0.5475 50DPPE O22 5952 5.395 3.436 5.902 -0.0096 -0.0124 -0.2138 50DPPE C22 5953 5.255 3.634 5.866 -0.2735 -0.2202 -0.1718 50DPPE H2R 5954 5.330 3.692 5.923 0.1582 -0.2302 -0.7148 50DPPE H2S 5955 5.154 3.669 5.897 0.2919 0.8990 0.4917 50DPPE C3 5956 5.181 3.197 5.778 -0.3058 0.5817 0.4680 50DPPE HX 5957 5.088 3.202 5.717 0.6384 0.0694 -1.0841 50DPPE HY 5958 5.195 3.091 5.805 0.1535 0.8786 1.4272 50DPPE O31 5959 5.282 3.247 5.690 -0.5189 -0.0154 -0.1262 50DPPE C31 5960 5.390 3.168 5.685 -0.2867 0.2559 0.4385 50DPPE O32 5961 5.403 3.066 5.751 -0.4040 0.1451 0.2919 50DPPE C32 5962 5.499 3.225 5.595 0.0199 0.4534 0.9362 50DPPE H2X 5963 5.512 3.331 5.627 1.8085 1.3202 -2.2165 50DPPE H2Y 5964 5.462 3.208 5.492 -0.3663 0.3589 1.0910 50DPPE C23 5965 5.276 3.647 5.715 -0.5957 0.1154 -0.1884 50DPPE H3R 5966 5.205 3.584 5.658 2.4527 -2.6974 -1.1661 50DPPE H3S 5967 5.381 3.620 5.689 0.8715 4.0606 0.8268 50DPPE C24 5968 5.245 3.785 5.655 -0.2858 0.1839 -0.1939 50DPPE H4R 5969 5.317 3.862 5.691 2.0048 -1.6493 -0.5980 50DPPE H4S 5970 5.142 3.821 5.675 1.1392 3.4422 2.1454 50DPPE C25 5971 5.277 3.786 5.506 0.6877 -0.1689 0.0060 50DPPE H5R 5972 5.198 3.733 5.448 1.3869 1.7098 -2.9018 50DPPE H5S 5973 5.378 3.744 5.485 0.0055 -2.1863 0.5057 50DPPE C26 5974 5.285 3.925 5.442 -0.1249 0.1807 0.6523 50DPPE H6R 5975 5.359 3.981 5.503 -0.4218 -0.2510 1.4142 50DPPE H6S 5976 5.191 3.981 5.462 -0.1455 -0.0281 1.1716 50DPPE C27 5977 5.322 3.918 5.294 0.5219 -0.1749 0.8258 50DPPE H7R 5978 5.239 3.873 5.235 0.9943 -1.2911 0.9906 50DPPE H7S 5979 5.419 3.865 5.280 -0.0322 -0.9877 -0.0436 50DPPE C28 5980 5.370 4.057 5.249 0.0762 -0.1446 0.4287 50DPPE H8R 5981 5.418 4.107 5.336 2.0775 2.1346 -1.8442 50DPPE H8S 5982 5.279 4.117 5.229 0.9235 1.0492 0.0163 50DPPE C29 5983 5.470 4.061 5.133 -0.4367 -0.4650 -0.0268 50DPPE H9R 5984 5.476 4.166 5.100 -0.5908 0.3747 2.4046 50DPPE H9S 5985 5.425 4.000 5.052 0.3841 0.1456 -0.9573 50DPPE C210 5986 5.616 4.027 5.162 -0.2098 0.2529 -0.3124 50DPPE H10R 5987 5.636 3.926 5.204 0.8656 1.8093 3.3116 50DPPE 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5.560 2.871 5.050 -0.1692 -0.2372 0.2125 50DPPE H8X 6024 5.455 2.903 5.069 0.3698 0.8764 1.4503 50DPPE H8Y 6025 5.582 2.764 5.069 -0.7308 -1.0119 -2.8421 50DPPE C39 6026 5.599 2.904 4.906 0.3045 -0.0272 0.3904 50DPPE H9X 6027 5.709 2.894 4.893 0.4536 1.3767 0.3431 50DPPE H9Y 6028 5.572 3.012 4.893 -0.7170 -0.3127 0.0661 50DPPE C310 6029 5.525 2.805 4.816 0.4475 0.0079 0.2316 50DPPE H10X 6030 5.416 2.819 4.832 0.3630 0.4326 -0.6547 50DPPE H10Y 6031 5.540 2.698 4.840 -0.3127 -0.1703 -0.0638 50DPPE C311 6032 5.569 2.824 4.671 -0.2743 0.1024 0.0211 50DPPE H11X 6033 5.680 2.830 4.673 -0.1584 -1.7649 0.8929 50DPPE H11Y 6034 5.525 2.920 4.636 -0.1600 0.6273 1.2734 50DPPE C312 6035 5.524 2.719 4.569 0.6743 -0.1305 -0.1650 50DPPE H12X 6036 5.543 2.618 4.612 1.2837 -0.9867 -2.3091 50DPPE H12Y 6037 5.576 2.735 4.472 2.1886 -1.3132 0.4075 50DPPE C313 6038 5.372 2.706 4.556 0.6236 0.0985 0.1803 50DPPE H13X 6039 5.322 2.763 4.475 1.2374 2.4481 1.3729 50DPPE H13Y 6040 5.323 2.746 4.647 -1.2125 -2.0603 0.2032 50DPPE C314 6041 5.329 2.561 4.533 0.3805 0.1128 0.5386 50DPPE H14X 6042 5.220 2.545 4.537 0.3286 0.2578 -0.1261 50DPPE H14Y 6043 5.384 2.492 4.601 2.1009 -0.4181 -1.2956 50DPPE C315 6044 5.366 2.500 4.398 0.2179 0.1193 0.4911 50DPPE H15X 6045 5.338 2.396 4.370 -0.3207 1.2003 -3.7705 50DPPE H15Y 6046 5.476 2.493 4.383 0.3730 0.1503 1.5692 50DPPE C316 6047 5.327 2.590 4.281 0.1100 -0.6754 -0.0955 50DPPE H16X 6048 5.392 2.679 4.300 -0.9224 -0.6564 4.5615 50DPPE H16Y 6049 5.217 2.602 4.285 0.0318 -1.0452 -0.9597 50DPPE H16Z 6050 5.354 2.555 4.179 1.2712 3.3779 -1.3850 51DPPE N 6051 1.590 3.572 6.896 -0.3899 -0.4320 -0.0905 51DPPE HN1 6052 1.581 3.491 6.961 -3.6102 -2.1851 -2.4697 51DPPE HN2 6053 1.580 3.667 6.936 1.6040 0.2684 -1.1142 51DPPE HN3 6054 1.513 3.553 6.829 -0.7951 0.3530 0.1529 51DPPE C12 6055 1.728 3.568 6.833 -0.1434 0.1133 0.4103 51DPPE H12A 6056 1.745 3.474 6.778 1.8505 0.8045 -0.2264 51DPPE H12B 6057 1.800 3.567 6.917 -0.9105 -1.0833 1.0766 51DPPE C11 6058 1.762 3.696 6.756 0.4091 -0.2015 0.1323 51DPPE H11A 6059 1.856 3.689 6.696 0.0603 -1.6778 -0.2831 51DPPE H11B 6060 1.783 3.775 6.831 2.6862 -1.6187 1.1087 51DPPE P 6061 1.666 3.874 6.593 -0.4161 -0.1081 -0.2780 51DPPE O13 6062 1.770 3.950 6.666 -0.4404 -0.2627 -0.0835 51DPPE O14 6063 1.533 3.940 6.584 -0.2005 0.3402 -0.1963 51DPPE O11 6064 1.722 3.842 6.447 -0.3209 -0.5725 -0.1402 51DPPE O12 6065 1.657 3.732 6.666 0.6722 -0.1100 -0.1404 51DPPE C1 6066 1.634 3.786 6.350 -0.0935 -0.4965 -0.3932 51DPPE HA 6067 1.684 3.814 6.255 -0.1035 0.2018 -0.1919 51DPPE HB 6068 1.531 3.828 6.356 -0.4077 -0.6478 -3.1742 51DPPE C2 6069 1.626 3.632 6.359 -0.0523 -0.4861 -0.1772 51DPPE HS 6070 1.575 3.628 6.458 -2.2619 1.7029 -1.0960 51DPPE O21 6071 1.758 3.579 6.363 0.1293 -0.0137 0.2386 51DPPE C21 6072 1.754 3.457 6.417 0.3988 -0.1693 -0.0832 51DPPE O22 6073 1.652 3.403 6.458 0.2465 -0.0560 -0.3079 51DPPE C22 6074 1.887 3.385 6.431 0.3946 -0.0915 0.3633 51DPPE H2R 6075 1.858 3.279 6.447 0.1915 -0.0040 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6111 1.965 3.093 5.309 0.5054 -1.0141 1.1516 51DPPE H11S 6112 1.848 3.211 5.357 -0.1048 0.4068 -0.9968 51DPPE C212 6113 1.752 3.041 5.276 0.5454 -0.0934 -0.5993 51DPPE H12R 6114 1.665 3.033 5.344 0.1485 -1.5306 -1.2403 51DPPE H12S 6115 1.783 2.941 5.237 -0.7558 0.0432 -2.0601 51DPPE C213 6116 1.716 3.122 5.152 -0.1492 0.2811 -0.1559 51DPPE H13R 6117 1.812 3.147 5.102 0.5144 -2.7623 -0.5919 51DPPE H13S 6118 1.652 3.209 5.180 -1.7874 0.1590 -3.0779 51DPPE C214 6119 1.622 3.048 5.057 -0.8164 0.3481 0.4399 51DPPE H14R 6120 1.533 3.005 5.107 -0.8848 -1.0136 -0.7822 51DPPE H14S 6121 1.672 2.957 5.018 -1.3295 1.0890 -2.2086 51DPPE C215 6122 1.594 3.141 4.938 -0.6453 0.1893 0.2740 51DPPE H15R 6123 1.683 3.169 4.879 0.7513 -0.9632 1.7421 51DPPE H15S 6124 1.535 3.230 4.969 -0.6685 -0.2941 1.6908 51DPPE C216 6125 1.504 3.058 4.846 0.6610 -0.5781 -0.3355 51DPPE H16R 6126 1.555 2.959 4.837 -0.0838 -1.1918 1.6551 51DPPE H16S 6127 1.481 3.106 4.749 -0.9712 2.1315 1.2617 51DPPE H16T 6128 1.403 3.038 4.887 0.8147 2.2221 1.7313 51DPPE C33 6129 1.632 3.625 5.806 0.4016 -0.8217 0.2202 51DPPE H3X 6130 1.549 3.698 5.796 1.1884 0.1729 0.7622 51DPPE H3Y 6131 1.578 3.528 5.808 -2.4749 0.6146 -1.0288 51DPPE C34 6132 1.728 3.637 5.688 -0.0256 0.5606 -0.0058 51DPPE H4X 6133 1.815 3.571 5.711 -1.3555 -0.1774 3.6257 51DPPE H4Y 6134 1.773 3.737 5.668 -0.4351 0.2946 -2.5955 51DPPE C35 6135 1.660 3.601 5.556 -0.1302 -0.2160 0.2536 51DPPE H5X 6136 1.619 3.699 5.523 -0.0582 -0.2557 0.0484 51DPPE H5Y 6137 1.572 3.537 5.579 -2.0486 2.3529 0.4527 51DPPE C36 6138 1.751 3.548 5.445 -0.6018 -0.2523 -0.1176 51DPPE H6X 6139 1.693 3.508 5.359 1.0597 1.9434 -2.4091 51DPPE H6Y 6140 1.816 3.464 5.476 -1.9227 -1.4248 -0.4444 51DPPE C37 6141 1.837 3.659 5.384 -0.1456 -0.2890 0.4567 51DPPE H7X 6142 1.895 3.715 5.461 -2.3009 3.5844 -0.4517 51DPPE H7Y 6143 1.777 3.732 5.326 1.3975 1.1723 0.6011 51DPPE C38 6144 1.934 3.606 5.278 -0.2170 0.2217 0.1323 51DPPE H8X 6145 1.996 3.519 5.308 -1.0438 -0.1197 0.8821 51DPPE H8Y 6146 2.002 3.690 5.253 -0.7075 0.4939 -0.2980 51DPPE C39 6147 1.863 3.579 5.145 -0.1610 0.7406 -0.0069 51DPPE H9X 6148 1.804 3.662 5.100 2.5101 0.9818 -3.4650 51DPPE H9Y 6149 1.784 3.501 5.149 -0.3435 0.6834 -2.7901 51DPPE C310 6150 1.960 3.534 5.036 -0.3255 -0.6254 0.3900 51DPPE H10X 6151 2.010 3.437 5.060 -0.4345 -0.7005 0.3094 51DPPE H10Y 6152 2.044 3.607 5.025 -1.3028 0.4306 -0.2445 51DPPE C311 6153 1.905 3.528 4.894 0.2058 0.7501 0.1107 51DPPE H11X 6154 1.863 3.626 4.862 -3.5446 -0.4811 0.7799 51DPPE H11Y 6155 1.822 3.454 4.891 0.2526 0.7018 0.0048 51DPPE C312 6156 2.021 3.490 4.802 -0.1352 -0.4991 0.1815 51DPPE H12X 6157 2.088 3.413 4.845 1.1895 1.6257 2.1537 51DPPE H12Y 6158 2.074 3.587 4.792 -0.6387 -0.0443 1.7504 51DPPE C313 6159 1.979 3.452 4.660 -0.2237 -0.3781 0.1742 51DPPE H13X 6160 2.076 3.445 4.605 -1.2494 0.6031 -1.8774 51DPPE H13Y 6161 1.927 3.532 4.604 1.1163 -1.0928 -2.2764 51DPPE C314 6162 1.899 3.321 4.658 -0.3354 -0.3056 -0.1610 51DPPE H14X 6163 1.789 3.339 4.652 -0.1367 0.7327 -1.3789 51DPPE H14Y 6164 1.920 3.256 4.745 1.3634 -0.2409 -0.4941 51DPPE C315 6165 1.932 3.238 4.534 0.4237 -0.4204 0.1129 51DPPE H15X 6166 2.042 3.228 4.527 1.0484 3.9304 1.0445 51DPPE H15Y 6167 1.901 3.300 4.447 0.5393 0.0435 0.4041 51DPPE C316 6168 1.843 3.113 4.533 -0.6807 0.3494 0.1695 51DPPE H16X 6169 1.737 3.138 4.512 -0.6507 0.6355 0.3505 51DPPE H16Y 6170 1.836 3.057 4.629 0.1190 -1.1308 -0.6124 51DPPE H16Z 6171 1.872 3.043 4.452 1.7303 0.6021 0.7127 52DPPE N 6172 5.956 3.280 6.106 -0.0737 -0.8630 -0.5915 52DPPE HN1 6173 6.012 3.331 6.034 1.9772 -0.7036 1.0027 52DPPE HN2 6174 6.012 3.197 6.133 -0.9414 -0.6816 1.9807 52DPPE HN3 6175 5.862 3.246 6.076 -1.0417 -0.5361 1.8855 52DPPE C12 6176 5.942 3.364 6.231 0.8293 -0.4752 -0.7382 52DPPE H12A 6177 5.864 3.439 6.206 1.5150 0.5685 0.2044 52DPPE H12B 6178 5.905 3.305 6.318 -2.1439 1.4908 -0.5261 52DPPE C11 6179 6.073 3.434 6.266 0.1714 0.1690 0.4858 52DPPE H11A 6180 6.160 3.366 6.264 0.3356 0.4028 -0.7121 52DPPE H11B 6181 6.070 3.480 6.367 -1.6722 1.9350 -0.2957 52DPPE P 6182 6.162 3.660 6.221 0.2022 -0.1994 -0.0761 52DPPE O13 6183 6.277 3.624 6.307 -0.2363 0.1777 0.6752 52DPPE O14 6184 6.049 3.732 6.284 -0.0383 0.0301 -0.7631 52DPPE O11 6185 6.217 3.745 6.097 0.8035 -0.6137 -0.1034 52DPPE O12 6186 6.100 3.526 6.160 -0.3185 -0.0671 0.1536 52DPPE C1 6187 6.128 3.833 6.027 0.4658 -0.7555 0.1452 52DPPE HA 6188 6.164 3.936 6.047 0.6581 -0.8518 0.3031 52DPPE HB 6189 6.024 3.835 6.068 0.0102 0.8401 -1.0195 52DPPE C2 6190 6.130 3.817 5.874 -0.2390 0.2073 0.0272 52DPPE HS 6191 6.073 3.899 5.826 -0.5430 -1.1095 -1.9649 52DPPE O21 6192 6.055 3.700 5.842 0.2835 -0.2931 0.5991 52DPPE C21 6193 5.990 3.706 5.725 -0.0770 0.2975 0.8278 52DPPE O22 6194 5.977 3.803 5.653 -0.6075 -0.4650 -0.1158 52DPPE C22 6195 5.936 3.564 5.708 -0.0892 0.4079 -0.1185 52DPPE H2R 6196 5.876 3.536 5.797 -1.5452 1.3339 -0.7748 52DPPE H2S 6197 6.022 3.494 5.703 0.8407 1.6114 -1.8750 52DPPE C3 6198 6.268 3.809 5.806 -0.3586 0.5247 -0.2570 52DPPE HX 6199 6.312 3.710 5.829 -0.3292 0.8002 0.9652 52DPPE HY 6200 6.340 3.876 5.858 2.9810 -2.7867 -0.1419 52DPPE O31 6201 6.274 3.834 5.666 -0.3899 0.2374 -0.3095 52DPPE C31 6202 6.290 3.962 5.635 -0.3942 0.3270 0.0588 52DPPE O32 6203 6.308 4.055 5.712 0.0500 0.1752 0.1420 52DPPE C32 6204 6.276 3.971 5.483 -0.0582 -0.6173 -0.0314 52DPPE H2X 6205 6.275 4.079 5.459 -0.6395 -0.8731 -1.2355 52DPPE H2Y 6206 6.177 3.936 5.450 -0.5338 -1.0231 1.7074 52DPPE C23 6207 5.860 3.537 5.579 0.2214 0.3225 -0.2859 52DPPE H3R 6208 5.835 3.429 5.565 -1.9993 0.5745 1.2255 52DPPE H3S 6209 5.901 3.566 5.480 1.0543 -0.5461 -0.2090 52DPPE C24 6210 5.723 3.605 5.587 0.0375 -0.0676 -0.0698 52DPPE H4R 6211 5.740 3.714 5.577 -2.7868 0.2686 -2.8322 52DPPE H4S 6212 5.668 3.577 5.679 1.5452 0.0404 0.8964 52DPPE C25 6213 5.624 3.578 5.473 -0.1251 0.0675 0.0393 52DPPE H5R 6214 5.528 3.622 5.506 0.8775 1.4832 1.1900 52DPPE H5S 6215 5.612 3.468 5.458 2.5540 -0.1017 -1.4806 52DPPE C26 6216 5.661 3.636 5.337 0.1794 -0.8924 -0.2974 52DPPE H6R 6217 5.753 3.590 5.296 0.0729 -0.5739 -0.9161 52DPPE H6S 6218 5.675 3.744 5.358 -0.5054 -1.1421 1.6334 52DPPE C27 6219 5.543 3.619 5.241 -0.1993 0.0951 -0.0185 52DPPE H7R 6220 5.558 3.673 5.145 -0.8670 1.3478 0.5585 52DPPE H7S 6221 5.451 3.649 5.296 -0.0210 0.4641 0.0809 52DPPE C28 6222 5.508 3.474 5.207 -0.2293 0.1753 -0.3391 52DPPE H8R 6223 5.446 3.433 5.289 -4.6846 1.6317 -2.6792 52DPPE H8S 6224 5.602 3.414 5.198 1.6315 3.1759 -3.0597 52DPPE C29 6225 5.412 3.449 5.091 -0.1316 -0.2959 -0.3198 52DPPE H9R 6226 5.453 3.510 5.008 1.8662 -2.7911 -1.3071 52DPPE H9S 6227 5.312 3.489 5.121 -1.3460 -2.7532 -0.7985 52DPPE C210 6228 5.404 3.302 5.049 -0.5053 -0.4447 0.2620 52DPPE H10R 6229 5.363 3.233 5.127 -0.2451 -0.7698 0.1142 52DPPE H10S 6230 5.501 3.256 5.021 -0.1952 2.6010 -4.8272 52DPPE C211 6231 5.325 3.296 4.919 -0.1484 0.1334 0.0167 52DPPE H11R 6232 5.361 3.362 4.837 0.2190 4.1082 3.1014 52DPPE H11S 6233 5.236 3.350 4.958 0.4183 -0.7471 2.7378 52DPPE C212 6234 5.299 3.150 4.878 0.8922 0.2602 -1.1636 52DPPE H12R 6235 5.288 3.095 4.973 -1.1209 -0.6503 -1.8732 52DPPE H12S 6236 5.378 3.089 4.830 1.1043 0.4132 -1.0118 52DPPE C213 6237 5.174 3.139 4.790 0.2019 1.1647 -0.3255 52DPPE H13R 6238 5.102 3.223 4.801 -2.8406 -1.4161 1.0295 52DPPE H13S 6239 5.117 3.055 4.834 1.4136 1.2099 1.4370 52DPPE C214 6240 5.214 3.108 4.645 0.0287 -0.3735 -0.0572 52DPPE H14R 6241 5.133 3.050 4.596 -0.3102 -0.2685 0.3722 52DPPE H14S 6242 5.317 3.071 4.626 0.1148 -0.4165 0.4735 52DPPE C215 6243 5.211 3.235 4.560 0.7457 -0.5337 -0.3279 52DPPE H15R 6244 5.262 3.319 4.611 1.7527 -1.0523 -0.4542 52DPPE H15S 6245 5.103 3.259 4.553 1.0212 0.3301 -2.5615 52DPPE C216 6246 5.268 3.221 4.419 -0.4294 -0.3956 -0.8252 52DPPE H16R 6247 5.197 3.151 4.369 -1.4091 0.7873 -1.1468 52DPPE H16S 6248 5.365 3.168 4.416 -0.4552 -0.6816 1.8278 52DPPE H16T 6249 5.258 3.315 4.360 0.1946 -0.0480 -0.3795 52DPPE C33 6250 6.389 3.914 5.397 0.3480 0.2542 -0.0819 52DPPE H3X 6251 6.372 3.804 5.397 -1.5092 0.4619 2.4863 52DPPE H3Y 6252 6.481 3.935 5.456 -0.9499 2.5522 1.2671 52DPPE C34 6253 6.385 3.960 5.251 -0.2643 0.2960 -0.0550 52DPPE H4X 6254 6.386 4.071 5.254 1.1975 0.3417 3.3630 52DPPE H4Y 6255 6.290 3.915 5.217 0.2217 0.0873 -1.1763 52DPPE C35 6256 6.515 3.926 5.178 -0.2726 0.6778 -0.2528 52DPPE H5X 6257 6.507 3.816 5.161 -1.9434 0.9193 -1.1736 52DPPE H5Y 6258 6.603 3.960 5.237 0.5768 -0.3183 -0.8995 52DPPE C36 6259 6.528 4.002 5.046 0.0736 0.4585 -0.3468 52DPPE H6X 6260 6.530 4.112 5.056 0.5284 0.3758 0.6018 52DPPE H6Y 6261 6.443 3.974 4.979 0.8435 -1.2211 -0.6870 52DPPE C37 6262 6.647 3.964 4.957 0.4613 0.0222 0.3523 52DPPE H7X 6263 6.698 3.865 4.955 0.9963 0.1972 2.4166 52DPPE H7Y 6264 6.723 4.039 4.988 -2.1304 2.7564 0.5574 52DPPE C38 6265 6.598 4.003 4.818 -0.2204 0.7006 0.7740 52DPPE H8X 6266 6.520 4.082 4.816 -0.7864 0.1448 0.1847 52DPPE H8Y 6267 6.690 4.033 4.763 1.0460 1.0864 3.0006 52DPPE C39 6268 6.553 3.882 4.736 0.7395 0.7340 0.1806 52DPPE H9X 6269 6.469 3.839 4.794 1.8474 -0.5833 0.8561 52DPPE H9Y 6270 6.640 3.814 4.724 -0.0019 -0.1101 -0.6194 52DPPE C310 6271 6.493 3.906 4.597 -0.4888 -0.3130 0.5129 52DPPE H10X 6272 6.567 3.963 4.538 -1.3672 -1.6291 -2.0042 52DPPE H10Y 6273 6.394 3.954 4.614 0.0116 0.8610 0.2089 52DPPE C311 6274 6.455 3.780 4.519 0.2724 0.1125 -0.5608 52DPPE H11X 6275 6.535 3.754 4.447 0.0665 -0.6394 -0.5259 52DPPE H11Y 6276 6.369 3.814 4.457 -1.7743 0.1331 2.1273 52DPPE C312 6277 6.418 3.659 4.605 -0.2151 0.7290 0.1056 52DPPE H12X 6278 6.338 3.674 4.681 -0.6343 0.8614 -0.3572 52DPPE H12Y 6279 6.506 3.613 4.655 -0.9589 -0.3898 0.4101 52DPPE C313 6280 6.352 3.546 4.527 0.3093 0.5235 -0.0447 52DPPE H13X 6281 6.332 3.466 4.602 2.6111 0.0745 0.1679 52DPPE H13Y 6282 6.423 3.490 4.462 -1.7550 -0.4444 -1.5801 52DPPE C314 6283 6.229 3.560 4.438 -0.0703 0.0341 0.3943 52DPPE H14X 6284 6.246 3.626 4.350 -1.0401 2.0374 1.6509 52DPPE H14Y 6285 6.142 3.601 4.495 -1.2509 -1.4779 -0.2366 52DPPE C315 6286 6.181 3.422 4.393 -0.4647 -0.0834 1.1604 52DPPE H15X 6287 6.254 3.356 4.341 -1.9682 -3.2475 2.7843 52DPPE H15Y 6288 6.166 3.357 4.482 -1.3013 -0.3954 0.7978 52DPPE C316 6289 6.063 3.423 4.295 -0.4452 -0.2098 1.1356 52DPPE H16X 6290 6.063 3.480 4.200 -1.2698 -2.5251 -0.3335 52DPPE H16Y 6291 5.980 3.466 4.355 -0.1648 -0.1800 1.5115 52DPPE H16Z 6292 6.057 3.317 4.264 0.2867 0.4488 -1.5474 53DPPE N 6293 2.077 2.110 6.231 -0.4654 -0.1992 -0.3070 53DPPE HN1 6294 2.172 2.102 6.191 0.1085 3.7480 -0.0628 53DPPE HN2 6295 2.009 2.089 6.156 -2.1533 1.1173 0.7708 53DPPE HN3 6296 2.063 2.211 6.250 0.8545 -0.1177 0.2834 53DPPE C12 6297 2.073 2.026 6.357 0.0460 0.0103 -0.1487 53DPPE H12A 6298 2.143 2.069 6.432 0.5869 -4.3968 2.2039 53DPPE H12B 6299 1.975 2.059 6.397 0.4839 2.0919 -0.6609 53DPPE C11 6300 2.088 1.874 6.349 0.0431 0.0170 -0.2930 53DPPE H11A 6301 2.051 1.843 6.450 0.2208 -0.8807 -0.4953 53DPPE H11B 6302 2.193 1.844 6.333 -0.4041 -2.3750 0.7852 53DPPE P 6303 1.852 1.794 6.277 -0.0518 0.0146 0.4385 53DPPE O13 6304 1.790 1.905 6.353 -0.0051 0.3221 0.0298 53DPPE O14 6305 1.842 1.660 6.339 -0.0286 -0.3390 -0.3109 53DPPE O11 6306 1.789 1.790 6.131 0.0104 -0.0131 0.4125 53DPPE O12 6307 2.006 1.823 6.243 0.0059 -0.6991 0.0707 53DPPE C1 6308 1.860 1.731 6.022 0.0205 0.0152 0.4038 53DPPE HA 6309 1.787 1.679 5.956 0.7567 -3.2820 1.9672 53DPPE HB 6310 1.923 1.647 6.058 -0.4122 -0.3899 0.2341 53DPPE C2 6311 1.937 1.842 5.949 0.3114 -0.1768 0.4190 53DPPE HS 6312 2.003 1.887 6.026 0.1934 0.0601 0.3820 53DPPE O21 6313 1.838 1.922 5.884 0.5368 -0.4727 -0.2998 53DPPE C21 6314 1.837 2.047 5.930 0.2325 -0.6563 0.2012 53DPPE O22 6315 1.906 2.085 6.023 -0.3893 0.3139 0.2797 53DPPE C22 6316 1.738 2.141 5.863 0.1792 -0.3409 0.7141 53DPPE H2R 6317 1.698 2.095 5.770 2.3491 0.1224 -0.5247 53DPPE H2S 6318 1.791 2.233 5.831 0.6332 -0.5678 0.8123 53DPPE C3 6319 2.024 1.779 5.839 -0.0335 -0.6197 0.3984 53DPPE HX 6320 2.113 1.726 5.879 0.0055 0.3138 1.5993 53DPPE HY 6321 2.069 1.865 5.784 1.0978 -0.3749 1.6424 53DPPE O31 6322 1.952 1.696 5.747 -0.0209 0.4328 -0.5890 53DPPE C31 6323 2.026 1.614 5.672 0.0547 -0.2622 0.2288 53DPPE O32 6324 2.147 1.611 5.658 0.1973 0.8841 1.0852 53DPPE C32 6325 1.925 1.530 5.595 0.3527 -0.1903 -0.2386 53DPPE H2X 6326 1.822 1.557 5.628 -0.2136 0.2913 -2.2526 53DPPE H2Y 6327 1.951 1.427 5.626 0.1058 0.0190 0.6740 53DPPE C23 6328 1.635 2.175 5.970 -0.2485 -0.5636 0.3795 53DPPE H3R 6329 1.680 2.228 6.057 -2.0444 3.4465 -0.9006 53DPPE H3S 6330 1.587 2.078 5.997 -1.4031 -0.5046 -1.3124 53DPPE C24 6331 1.516 2.258 5.921 0.0685 -0.1391 0.3216 53DPPE H4R 6332 1.552 2.342 5.859 -0.7173 -0.9712 -1.3263 53DPPE H4S 6333 1.455 2.298 6.005 -0.4004 0.7138 -0.4114 53DPPE C25 6334 1.416 2.187 5.830 0.6268 -0.2575 -0.2038 53DPPE H5R 6335 1.368 2.104 5.885 0.2564 1.1190 1.6402 53DPPE H5S 6336 1.463 2.151 5.736 0.9887 0.8766 -0.4700 53DPPE C26 6337 1.305 2.288 5.799 1.1390 0.2234 -0.5022 53DPPE H6R 6338 1.341 2.389 5.769 -0.9609 1.7763 1.7324 53DPPE H6S 6339 1.243 2.301 5.891 -0.8077 -0.8889 -1.5860 53DPPE C27 6340 1.204 2.260 5.688 0.6409 0.3244 -0.0814 53DPPE H7R 6341 1.123 2.336 5.694 1.3636 1.3522 -2.4016 53DPPE H7S 6342 1.164 2.157 5.702 2.8846 -0.5789 0.1559 53DPPE C28 6343 1.287 2.270 5.560 0.3313 0.1534 -0.2964 53DPPE H8R 6344 1.375 2.202 5.555 0.7546 0.7457 -0.9931 53DPPE H8S 6345 1.331 2.372 5.557 -1.4947 0.9691 -0.8595 53DPPE C29 6346 1.204 2.234 5.436 0.3159 -0.5523 -0.0862 53DPPE H9R 6347 1.126 2.313 5.432 -1.5234 -2.3171 -0.8577 53DPPE H9S 6348 1.151 2.137 5.449 -2.6995 0.8740 -0.6583 53DPPE C210 6349 1.286 2.221 5.309 -0.3455 -0.1148 -0.5647 53DPPE H10R 6350 1.386 2.181 5.337 1.1646 2.4242 -1.8526 53DPPE H10S 6351 1.314 2.312 5.251 0.8851 0.7037 1.2182 53DPPE C211 6352 1.220 2.124 5.212 -0.5071 0.0779 -0.6487 53DPPE H11R 6353 1.118 2.163 5.195 -1.1293 -1.3486 -0.3880 53DPPE H11S 6354 1.205 2.030 5.269 -1.1224 -0.7287 -2.0605 53DPPE C212 6355 1.279 2.101 5.072 0.0049 -0.1172 -0.4051 53DPPE H12R 6356 1.203 2.061 5.001 -1.8628 -0.7020 1.7816 53DPPE H12S 6357 1.374 2.048 5.092 0.9841 1.9753 0.7941 53DPPE C213 6358 1.322 2.228 4.998 0.9182 -0.0034 0.3000 53DPPE H13R 6359 1.420 2.259 5.038 1.7855 0.5846 -2.0954 53DPPE H13S 6360 1.249 2.311 5.011 0.8718 0.2368 -1.2731 53DPPE C214 6361 1.345 2.200 4.849 0.1997 -0.5036 0.2757 53DPPE H14R 6362 1.247 2.185 4.799 -0.4506 1.6991 0.7727 53DPPE H14S 6363 1.402 2.107 4.830 0.0436 -0.1384 -2.2645 53DPPE C215 6364 1.418 2.316 4.782 -0.3754 -0.3138 -0.0284 53DPPE H15R 6365 1.403 2.411 4.837 -0.5793 0.2449 -1.0129 53DPPE H15S 6366 1.373 2.329 4.681 -1.8677 0.1202 0.6666 53DPPE C216 6367 1.566 2.281 4.763 -0.3949 -0.3565 -0.1001 53DPPE H16R 6368 1.613 2.259 4.861 1.4476 0.7421 -0.7008 53DPPE H16S 6369 1.624 2.368 4.726 0.6162 0.8452 3.8511 53DPPE H16T 6370 1.579 2.194 4.695 3.8933 -0.8033 1.0019 53DPPE C33 6371 1.943 1.560 5.446 0.0495 0.1865 -0.1997 53DPPE H3X 6372 2.049 1.555 5.411 0.9660 0.8584 2.2628 53DPPE H3Y 6373 1.910 1.665 5.427 1.9281 0.8626 0.0788 53DPPE C34 6374 1.864 1.470 5.351 -0.1760 0.3547 -0.1737 53DPPE H4X 6375 1.759 1.466 5.389 0.2368 -1.0165 0.9428 53DPPE H4Y 6376 1.912 1.373 5.378 -0.6075 -0.1888 -1.3190 53DPPE C35 6377 1.874 1.505 5.203 -0.7882 0.1045 -0.2769 53DPPE H5X 6378 1.818 1.412 5.180 -0.0299 -1.4849 3.5567 53DPPE H5Y 6379 1.977 1.508 5.162 -1.0031 0.3645 -0.7995 53DPPE C36 6380 1.796 1.625 5.149 -0.0631 0.6432 -0.1389 53DPPE H6X 6381 1.835 1.726 5.172 0.8395 0.3349 -0.2556 53DPPE H6Y 6382 1.693 1.629 5.190 -0.8045 1.2045 -1.9683 53DPPE C37 6383 1.791 1.633 4.997 0.5273 0.2237 -0.1838 53DPPE H7X 6384 1.781 1.536 4.943 0.4804 -1.5131 2.7375 53DPPE H7Y 6385 1.884 1.679 4.956 0.2157 0.2051 -0.9256 53DPPE C38 6386 1.680 1.729 4.955 0.3928 -0.0326 -0.4191 53DPPE H8X 6387 1.711 1.831 4.985 2.9730 -0.9658 0.3243 53DPPE H8Y 6388 1.582 1.708 5.004 1.6060 -1.1144 1.7170 53DPPE C39 6389 1.655 1.730 4.804 -0.0088 -0.4906 -0.3610 53DPPE H9X 6390 1.630 1.623 4.789 0.5878 -0.4089 -2.1257 53DPPE H9Y 6391 1.751 1.743 4.750 0.7363 -1.2873 0.7279 53DPPE C310 6392 1.533 1.813 4.762 -0.0784 -0.4371 -0.0619 53DPPE H10X 6393 1.554 1.917 4.794 1.0582 -0.9570 0.9542 53DPPE H10Y 6394 1.440 1.765 4.798 -0.4816 -0.6464 -1.3143 53DPPE C311 6395 1.512 1.808 4.610 -0.0823 0.2592 -0.0860 53DPPE H11X 6396 1.493 1.699 4.604 0.2819 0.0637 1.7123 53DPPE H11Y 6397 1.600 1.849 4.555 0.3493 -1.0534 -0.4093 53DPPE C312 6398 1.389 1.877 4.550 -0.2174 0.4421 0.3931 53DPPE H12X 6399 1.297 1.858 4.609 -1.3949 3.2225 -0.4085 53DPPE H12Y 6400 1.371 1.824 4.454 -3.0786 -2.4203 2.2997 53DPPE C313 6401 1.417 2.026 4.529 -0.1427 0.4968 0.8700 53DPPE H13X 6402 1.513 2.032 4.474 0.5038 -1.1959 1.7403 53DPPE H13Y 6403 1.434 2.065 4.631 -1.3322 -0.0277 1.2878 53DPPE C314 6404 1.308 2.091 4.443 0.2470 0.3882 0.2865 53DPPE H14X 6405 1.210 2.101 4.494 1.5051 -0.7738 3.1653 53DPPE H14Y 6406 1.293 2.026 4.355 -1.8544 -0.9612 1.5464 53DPPE C315 6407 1.359 2.228 4.399 0.1172 0.1321 -0.6690 53DPPE H15X 6408 1.388 2.208 4.293 -0.5374 -1.1043 -0.6266 53DPPE H15Y 6409 1.446 2.270 4.454 0.0963 -1.4344 0.6404 53DPPE C316 6410 1.264 2.347 4.394 -0.6549 -0.4689 -0.4346 53DPPE H16X 6411 1.268 2.388 4.497 -0.6600 -2.2524 0.2956 53DPPE H16Y 6412 1.156 2.321 4.387 -1.0356 0.5227 1.1054 53DPPE H16Z 6413 1.294 2.422 4.317 -2.8369 -1.7620 -2.7034 54DPPE N 6414 0.416 1.643 6.387 0.0046 0.3197 0.3253 54DPPE HN1 6415 0.456 1.719 6.447 -0.4336 1.9054 -1.3122 54DPPE HN2 6416 0.356 1.698 6.323 0.9798 0.1215 -0.7933 54DPPE HN3 6417 0.350 1.580 6.436 -0.3830 -3.8190 -4.6884 54DPPE C12 6418 0.515 1.557 6.312 -0.2507 0.2695 0.0495 54DPPE H12A 6419 0.573 1.510 6.394 -1.3518 2.4482 2.2066 54DPPE H12B 6420 0.452 1.484 6.257 1.2205 -1.9786 1.1891 54DPPE C11 6421 0.601 1.630 6.209 -0.6275 0.9403 0.2018 54DPPE H11A 6422 0.532 1.664 6.130 -0.1761 1.7448 0.1400 54DPPE H11B 6423 0.666 1.550 6.167 -2.8242 -0.8054 -0.0059 54DPPE P 6424 0.809 1.724 6.348 -0.2164 0.0122 0.6747 54DPPE O13 6425 0.792 1.670 6.485 -0.2061 -0.2326 0.5806 54DPPE O14 6426 0.876 1.855 6.338 -0.0093 -0.1508 -0.1152 54DPPE O11 6427 0.888 1.611 6.266 0.0482 0.9545 -0.3896 54DPPE O12 6428 0.671 1.739 6.269 0.3897 0.5727 -0.2914 54DPPE C1 6429 1.027 1.599 6.298 -0.1101 -0.1396 -0.0443 54DPPE HA 6430 1.043 1.498 6.340 0.2758 0.3695 1.0715 54DPPE HB 6431 1.051 1.675 6.376 -1.4714 -1.6955 1.9847 54DPPE C2 6432 1.122 1.633 6.182 -0.3849 -0.1501 -0.2750 54DPPE HS 6433 1.203 1.698 6.220 0.8351 0.9475 -4.2380 54DPPE O21 6434 1.043 1.708 6.089 -0.3682 0.2146 0.0010 54DPPE C21 6435 1.092 1.805 6.012 -0.4214 0.3754 0.1705 54DPPE O22 6436 1.204 1.849 6.030 -0.2504 -0.0554 0.1556 54DPPE C22 6437 0.973 1.865 5.937 -0.1420 0.2196 -0.4011 54DPPE H2R 6438 0.993 1.973 5.926 -0.1103 0.1904 -0.6470 54DPPE H2S 6439 0.883 1.854 6.001 0.5485 1.1526 0.7715 54DPPE C3 6440 1.175 1.507 6.111 -0.4090 -0.3463 0.0524 54DPPE HX 6441 1.089 1.439 6.095 -0.7612 -0.3858 1.9130 54DPPE HY 6442 1.244 1.451 6.178 -1.7856 -2.2342 -0.0359 54DPPE O31 6443 1.242 1.520 5.985 -0.2696 -0.3956 0.1205 54DPPE C31 6444 1.363 1.576 5.991 -0.4905 0.1265 -0.2350 54DPPE O32 6445 1.424 1.611 6.091 0.2057 -0.4519 -0.4481 54DPPE C32 6446 1.382 1.622 5.847 -0.1313 -0.1407 -0.2752 54DPPE H2X 6447 1.409 1.537 5.781 -0.4259 0.0291 -0.6217 54DPPE H2Y 6448 1.292 1.669 5.801 -2.1383 -1.3288 2.2046 54DPPE C23 6449 0.959 1.809 5.795 -0.0446 -0.0288 -0.3139 54DPPE H3R 6450 0.858 1.840 5.760 -0.8740 -0.9970 1.0579 54DPPE H3S 6451 0.968 1.698 5.790 -1.3747 -0.4188 2.9332 54DPPE C24 6452 1.064 1.876 5.707 -0.5577 0.4364 -0.5733 54DPPE H4R 6453 1.167 1.868 5.747 -0.4233 -0.0059 -1.0014 54DPPE H4S 6454 1.047 1.985 5.694 2.0320 0.8472 -1.0645 54DPPE C25 6455 1.057 1.826 5.563 -0.0809 -0.6481 -0.2249 54DPPE H5R 6456 1.092 1.721 5.553 -0.4468 -0.7944 0.0134 54DPPE H5S 6457 1.140 1.880 5.513 -0.9761 0.3895 -0.6336 54DPPE C26 6458 0.928 1.847 5.483 0.1234 0.0426 -0.3782 54DPPE H6R 6459 0.893 1.952 5.481 1.5394 0.8136 4.0865 54DPPE H6S 6460 0.854 1.788 5.542 -0.0156 -0.9180 -1.4672 54DPPE C27 6461 0.940 1.799 5.338 0.1976 -0.2032 -0.2930 54DPPE H7R 6462 0.976 1.694 5.332 -0.2805 -0.5123 1.5307 54DPPE H7S 6463 1.001 1.867 5.275 -0.6321 2.2234 1.3647 54DPPE C28 6464 0.802 1.817 5.274 0.1122 0.3297 0.0287 54DPPE H8R 6465 0.775 1.925 5.272 0.8837 0.5499 0.9573 54DPPE H8S 6466 0.726 1.765 5.335 1.1779 0.6855 1.7119 54DPPE C29 6467 0.785 1.753 5.136 0.3998 -0.0131 0.1514 54DPPE H9R 6468 0.679 1.753 5.103 0.7174 -3.4832 -1.3533 54DPPE H9S 6469 0.807 1.645 5.147 -0.5334 0.0233 3.4155 54DPPE C210 6470 0.876 1.802 5.022 0.2824 0.0203 0.0714 54DPPE H10R 6471 0.981 1.768 5.030 0.9222 1.9003 0.0180 54DPPE H10S 6472 0.880 1.913 5.029 -1.3350 0.0318 4.1998 54DPPE C211 6473 0.812 1.747 4.894 0.6454 0.2468 -0.2077 54DPPE H11R 6474 0.702 1.766 4.893 0.1174 -2.1946 1.4767 54DPPE H11S 6475 0.827 1.638 4.883 -2.0505 -0.2122 -0.0509 54DPPE C212 6476 0.882 1.819 4.778 0.5209 0.3302 -0.2314 54DPPE H12R 6477 0.988 1.789 4.766 0.9244 2.3212 -2.2150 54DPPE H12S 6478 0.884 1.930 4.788 1.1254 0.2627 0.5045 54DPPE C213 6479 0.824 1.780 4.642 0.2291 -0.3505 0.0812 54DPPE H13R 6480 0.713 1.786 4.637 0.2815 1.0553 0.0749 54DPPE H13S 6481 0.856 1.675 4.631 2.4997 0.3715 -0.7545 54DPPE C214 6482 0.900 1.850 4.529 -0.2399 -0.2226 -0.1579 54DPPE H14R 6483 1.008 1.825 4.535 0.5899 2.1283 -3.0451 54DPPE H14S 6484 0.893 1.959 4.549 1.1871 -0.1888 0.2552 54DPPE C215 6485 0.844 1.810 4.392 0.3998 -0.5223 -0.3342 54DPPE H15R 6486 0.750 1.868 4.378 1.3781 1.2588 0.1405 54DPPE H15S 6487 0.831 1.700 4.386 -0.4720 -0.4419 -0.0168 54DPPE C216 6488 0.940 1.861 4.284 -0.1830 -0.2920 -0.7455 54DPPE H16R 6489 1.047 1.834 4.291 -0.0703 0.1034 -0.9495 54DPPE H16S 6490 0.936 1.971 4.293 -0.6177 -0.5059 4.5594 54DPPE H16T 6491 0.898 1.845 4.181 -1.0034 0.7220 -0.5811 54DPPE C33 6492 1.487 1.733 5.842 0.0889 -0.3352 0.0691 54DPPE H3X 6493 1.558 1.714 5.926 -1.1934 -1.2800 0.9826 54DPPE H3Y 6494 1.435 1.830 5.855 -2.2502 -1.7262 1.9176 54DPPE C34 6495 1.559 1.725 5.707 0.0127 -0.3449 0.0284 54DPPE H4X 6496 1.606 1.624 5.707 0.6213 -0.1142 -2.1656 54DPPE H4Y 6497 1.639 1.802 5.705 2.1167 -2.4202 -0.2847 54DPPE C35 6498 1.459 1.751 5.595 0.1683 0.1923 0.0120 54DPPE H5X 6499 1.404 1.847 5.600 0.0929 0.2409 -1.3185 54DPPE H5Y 6500 1.387 1.667 5.590 0.3558 0.1008 -1.6014 54DPPE C36 6501 1.529 1.764 5.459 0.1766 0.3736 0.0340 54DPPE H6X 6502 1.589 1.671 5.444 1.2973 1.0198 0.3977 54DPPE H6Y 6503 1.601 1.844 5.487 -1.0168 1.5524 -0.1891 54DPPE C37 6504 1.433 1.793 5.343 -0.3864 0.2128 0.4554 54DPPE H7X 6505 1.491 1.828 5.255 -0.9360 3.2835 1.2145 54DPPE H7Y 6506 1.362 1.869 5.381 0.2937 1.9861 -1.6362 54DPPE C38 6507 1.351 1.669 5.307 0.5080 -0.1695 -0.3208 54DPPE H8X 6508 1.276 1.649 5.387 -0.0008 3.0572 0.1331 54DPPE H8Y 6509 1.403 1.572 5.295 -1.8266 -1.3849 -1.3237 54DPPE C39 6510 1.281 1.694 5.173 0.0164 0.5361 0.0596 54DPPE H9X 6511 1.356 1.721 5.097 -0.5091 1.0719 -0.2731 54DPPE H9Y 6512 1.205 1.773 5.194 -0.4672 0.5880 -1.7648 54DPPE C310 6513 1.200 1.571 5.131 0.0153 0.7690 -0.6165 54DPPE H10X 6514 1.112 1.588 5.065 1.5648 -0.9804 -3.3526 54DPPE H10Y 6515 1.173 1.515 5.223 -0.4448 -0.7593 -1.6465 54DPPE C311 6516 1.300 1.478 5.061 -0.4374 -0.0521 -0.1794 54DPPE H11X 6517 1.373 1.423 5.124 -0.0705 -1.7444 -2.0066 54DPPE H11Y 6518 1.336 1.550 4.985 -1.3990 1.6979 0.9409 54DPPE C312 6519 1.225 1.370 4.983 0.1334 -0.5200 -0.0836 54DPPE H12X 6520 1.145 1.406 4.914 0.3604 1.7889 0.7787 54DPPE H12Y 6521 1.188 1.290 5.050 2.9875 -0.6221 1.5429 54DPPE C313 6522 1.332 1.290 4.910 0.2114 -0.8339 0.3698 54DPPE H13X 6523 1.287 1.203 4.858 4.0168 -1.1778 -2.8624 54DPPE H13Y 6524 1.411 1.249 4.977 2.4678 2.9808 0.3473 54DPPE C314 6525 1.395 1.372 4.797 0.0920 -0.0696 0.8589 54DPPE H14X 6526 1.463 1.452 4.834 2.8565 -0.7612 -2.2410 54DPPE H14Y 6527 1.311 1.409 4.736 -0.6022 -0.8561 1.3297 54DPPE C315 6528 1.484 1.287 4.706 -0.9396 -0.8265 0.5465 54DPPE H15X 6529 1.524 1.371 4.645 -2.9007 0.0288 0.3503 54DPPE H15Y 6530 1.430 1.223 4.634 1.5657 -0.2429 -2.0313 54DPPE C316 6531 1.591 1.207 4.780 0.0301 0.2498 0.3280 54DPPE H16X 6532 1.626 1.258 4.873 0.6873 1.6675 -0.6451 54DPPE H16Y 6533 1.681 1.186 4.719 -0.0014 1.0222 -0.0038 54DPPE H16Z 6534 1.540 1.118 4.821 -1.9844 0.8240 -0.8254 55DPPE N 6535 2.670 5.372 6.272 -0.0501 -0.0055 0.3551 55DPPE HN1 6536 2.671 5.470 6.237 -2.7803 -0.0234 0.0404 55DPPE HN2 6537 2.616 5.367 6.360 2.4424 1.9628 2.1488 55DPPE HN3 6538 2.768 5.348 6.296 0.7379 -1.8473 -3.8402 55DPPE C12 6539 2.629 5.296 6.148 0.6179 -0.1251 0.2016 55DPPE H12A 6540 2.704 5.305 6.067 -3.2368 -0.4136 -3.8165 55DPPE H12B 6541 2.543 5.351 6.105 1.4746 1.1514 0.0847 55DPPE C11 6542 2.602 5.147 6.175 0.1963 -0.0550 0.1833 55DPPE H11A 6543 2.590 5.100 6.075 1.7191 -1.1576 0.4816 55DPPE H11B 6544 2.507 5.135 6.231 -0.7027 1.2715 -0.9756 55DPPE P 6545 2.700 4.939 6.280 -0.1080 -0.1229 -0.1276 55DPPE O13 6546 2.568 4.908 6.340 -0.2658 0.7189 -0.0312 55DPPE O14 6547 2.824 4.898 6.350 -0.2483 -0.0166 0.1858 55DPPE O11 6548 2.710 4.888 6.129 0.6210 0.0618 -0.1470 55DPPE O12 6549 2.712 5.096 6.251 0.0898 -0.0494 0.3391 55DPPE C1 6550 2.710 4.746 6.116 0.2204 0.0713 -0.2838 55DPPE HA 6551 2.649 4.725 6.026 0.1994 1.2531 -0.5618 55DPPE HB 6552 2.655 4.693 6.197 0.1653 1.1813 0.4166 55DPPE C2 6553 2.850 4.682 6.108 0.1003 -0.2168 -0.0903 55DPPE HS 6554 2.874 4.689 6.216 -1.5327 1.3736 0.2082 55DPPE O21 6555 2.938 4.764 6.031 -0.0802 0.8723 0.8479 55DPPE C21 6556 3.064 4.741 6.068 0.0666 -0.0154 -0.1466 55DPPE O22 6557 3.103 4.694 6.174 0.0807 -0.1791 -0.2252 55DPPE C22 6558 3.152 4.800 5.959 -0.0940 0.0675 -0.2321 55DPPE H2R 6559 3.108 4.895 5.922 -2.3778 0.0324 2.1507 55DPPE H2S 6560 3.146 4.727 5.876 1.7387 -0.3003 -0.0823 55DPPE C3 6561 2.849 4.540 6.048 0.2873 -0.1482 -0.2549 55DPPE HX 6562 2.770 4.484 6.100 -0.8143 1.3474 -0.2538 55DPPE HY 6563 2.947 4.490 6.064 -0.1821 -1.5580 -1.5559 55DPPE O31 6564 2.804 4.540 5.912 0.3407 -0.1181 -0.2726 55DPPE C31 6565 2.898 4.502 5.824 0.1995 0.2249 -0.5745 55DPPE O32 6566 3.016 4.479 5.846 -0.1818 -0.6261 0.7261 55DPPE C32 6567 2.832 4.497 5.687 -0.5973 -0.1462 -0.1875 55DPPE H2X 6568 2.824 4.606 5.664 2.0819 0.6570 2.0634 55DPPE H2Y 6569 2.732 4.449 5.676 0.1439 -1.5598 -1.0846 55DPPE C23 6570 3.298 4.819 6.003 -0.2348 0.4839 0.0560 55DPPE H3R 6571 3.316 4.738 6.077 -0.1484 -0.4227 -0.9371 55DPPE H3S 6572 3.302 4.923 6.041 -1.0798 1.0663 -1.3647 55DPPE C24 6573 3.387 4.784 5.884 0.0683 -0.6324 0.5985 55DPPE H4R 6574 3.349 4.840 5.795 0.3618 -0.7861 0.3768 55DPPE H4S 6575 3.379 4.674 5.867 -1.4319 -0.3786 -0.5789 55DPPE C25 6576 3.537 4.813 5.889 -0.0651 0.1494 0.2222 55DPPE H5R 6577 3.578 4.744 5.966 1.6833 -2.0431 -2.4734 55DPPE H5S 6578 3.563 4.916 5.922 -1.5528 1.8606 -3.3928 55DPPE C26 6579 3.619 4.786 5.763 -0.0905 -0.4792 0.3391 55DPPE H6R 6580 3.600 4.681 5.729 -0.9636 -0.0550 -0.5360 55DPPE H6S 6581 3.729 4.798 5.767 -0.2139 0.9963 -0.0521 55DPPE C27 6582 3.589 4.866 5.636 0.3237 -0.6299 0.1426 55DPPE H7R 6583 3.620 4.971 5.653 -1.2106 0.2412 -2.0934 55DPPE H7S 6584 3.486 4.885 5.600 0.9330 1.8436 -0.4495 55DPPE C28 6585 3.676 4.822 5.519 -0.0949 -0.1991 -0.3336 55DPPE H8R 6586 3.645 4.732 5.463 -0.8298 0.0622 -0.3533 55DPPE H8S 6587 3.777 4.800 5.560 -0.6882 -0.2479 1.1468 55DPPE C29 6588 3.687 4.934 5.415 -0.7557 -0.2125 -0.4209 55DPPE H9R 6589 3.725 5.029 5.460 0.2654 -1.4308 1.4074 55DPPE H9S 6590 3.586 4.942 5.370 0.6372 1.7906 -3.4892 55DPPE C210 6591 3.785 4.907 5.301 -0.1925 -0.4052 0.1011 55DPPE H10R 6592 3.883 4.864 5.329 -0.3934 -1.4985 -0.7947 55DPPE H10S 6593 3.789 5.009 5.257 -2.9115 -1.0668 -1.9520 55DPPE C211 6594 3.737 4.833 5.176 -0.3665 -0.5445 0.2493 55DPPE H11R 6595 3.688 4.737 5.201 -0.8243 -0.8713 -1.6921 55DPPE H11S 6596 3.821 4.814 5.106 -0.3194 -1.3985 0.5332 55DPPE C212 6597 3.617 4.891 5.099 0.0922 -0.0898 -0.1276 55DPPE H12R 6598 3.627 5.001 5.091 1.4694 -0.0894 1.1154 55DPPE H12S 6599 3.528 4.886 5.165 -0.4078 0.0292 -0.7786 55DPPE C213 6600 3.589 4.835 4.959 0.6939 0.0206 -0.2967 55DPPE H13R 6601 3.524 4.906 4.903 0.3341 -0.9867 -1.1667 55DPPE H13S 6602 3.526 4.746 4.975 -1.6487 1.8807 1.6690 55DPPE C214 6603 3.706 4.788 4.873 0.2173 -0.7560 -0.5262 55DPPE H14R 6604 3.756 4.701 4.921 2.9813 0.5011 -0.9407 55DPPE H14S 6605 3.776 4.873 4.861 -2.5826 1.6443 -0.9288 55DPPE C215 6606 3.657 4.753 4.732 -0.1157 -0.3508 -0.5130 55DPPE H15R 6607 3.720 4.671 4.691 -1.2460 -1.4495 -0.1375 55DPPE H15S 6608 3.551 4.723 4.743 -0.3882 0.7338 -0.0932 55DPPE C216 6609 3.679 4.870 4.636 0.8821 0.3004 0.4846 55DPPE H16R 6610 3.627 4.841 4.543 1.0964 -3.5103 1.3728 55DPPE H16S 6611 3.784 4.906 4.629 0.0463 2.6724 -0.7632 55DPPE H16T 6612 3.621 4.962 4.659 -0.4135 0.2327 -2.2160 55DPPE C33 6613 2.926 4.429 5.588 0.3449 0.4627 0.2707 55DPPE H3X 6614 2.929 4.319 5.607 1.9514 0.7669 2.1488 55DPPE H3Y 6615 3.028 4.470 5.602 0.7226 -1.0935 2.8308 55DPPE C34 6616 2.890 4.452 5.441 0.5379 0.0460 0.1540 55DPPE H4X 6617 2.831 4.546 5.439 0.0199 -0.2795 -1.6251 55DPPE H4Y 6618 2.812 4.379 5.410 0.1693 0.3764 0.2928 55DPPE C35 6619 3.014 4.449 5.351 0.4590 -0.5611 0.0614 55DPPE H5X 6620 3.011 4.340 5.332 -1.1712 -0.9648 2.1310 55DPPE H5Y 6621 3.106 4.481 5.404 -0.7790 -1.1314 2.7255 55DPPE C36 6622 2.984 4.517 5.217 0.5665 -0.6901 -0.0284 55DPPE H6X 6623 2.873 4.517 5.209 0.4789 -1.7011 0.8727 55DPPE H6Y 6624 3.018 4.452 5.134 2.2094 0.6382 -0.4395 55DPPE C37 6625 3.027 4.663 5.207 0.0938 -0.5786 -0.4651 55DPPE H7X 6626 3.134 4.686 5.228 0.6697 2.8351 -5.3007 55DPPE H7Y 6627 2.956 4.713 5.276 -0.2407 -0.8552 -0.6061 55DPPE C38 6628 2.988 4.722 5.071 -0.0657 0.0403 -0.1569 55DPPE H8X 6629 2.967 4.831 5.065 3.2877 0.7902 -0.4074 55DPPE H8Y 6630 2.899 4.665 5.037 0.0566 0.7043 -1.6408 55DPPE C39 6631 3.094 4.680 4.968 0.3002 0.4836 0.0373 55DPPE H9X 6632 3.129 4.575 4.977 -0.2631 0.4017 1.7736 55DPPE H9Y 6633 3.186 4.741 4.977 0.5280 -0.0869 2.0879 55DPPE C310 6634 3.044 4.692 4.824 0.0618 0.1001 0.0857 55DPPE H10X 6635 3.003 4.795 4.811 -0.2242 0.3718 2.6477 55DPPE H10Y 6636 2.961 4.619 4.814 1.6163 -1.8571 0.8192 55DPPE C311 6637 3.146 4.672 4.712 0.1185 -0.0519 0.1641 55DPPE H11X 6638 3.136 4.566 4.681 0.7153 0.1125 -0.6385 55DPPE H11Y 6639 3.245 4.708 4.749 0.2044 0.1647 -0.2703 55DPPE C312 6640 3.119 4.765 4.593 0.3636 0.1261 0.2471 55DPPE H12X 6641 3.120 4.865 4.642 3.2191 -0.4164 1.4691 55DPPE H12Y 6642 3.021 4.729 4.555 -0.2733 1.2766 0.7270 55DPPE C313 6643 3.229 4.783 4.488 0.6053 0.1023 0.4950 55DPPE H13X 6644 3.324 4.829 4.522 1.6597 -1.4330 -0.2744 55DPPE H13Y 6645 3.200 4.856 4.410 0.8999 -0.4056 -0.0937 55DPPE C314 6646 3.267 4.649 4.426 0.6965 0.1845 0.3754 55DPPE H14X 6647 3.177 4.596 4.388 2.1787 -0.5358 -2.4778 55DPPE H14Y 6648 3.320 4.587 4.502 2.3487 3.5262 2.1525 55DPPE C315 6649 3.369 4.658 4.312 0.2667 -0.1554 -0.0406 55DPPE H15X 6650 3.331 4.710 4.221 -1.7870 -2.3096 -0.5190 55DPPE H15Y 6651 3.383 4.551 4.285 -0.2870 -0.3742 0.5111 55DPPE C316 6652 3.506 4.699 4.364 0.3040 0.0913 -0.3279 55DPPE H16X 6653 3.504 4.810 4.375 -0.6694 0.0117 0.4749 55DPPE H16Y 6654 3.587 4.677 4.291 2.4991 -0.2869 2.0459 55DPPE H16Z 6655 3.530 4.653 4.462 0.1983 -0.7126 -0.6730 56DPPE N 6656 1.281 4.031 6.724 -0.8138 0.5450 -0.8726 56DPPE HN1 6657 1.377 4.019 6.763 -0.1455 -0.8780 -2.7507 56DPPE HN2 6658 1.292 4.033 6.620 -0.7302 -2.4206 -0.9881 56DPPE HN3 6659 1.238 4.120 6.758 -2.0517 -0.5205 0.4708 56DPPE C12 6660 1.188 3.930 6.786 -0.1017 0.0819 -0.5435 56DPPE H12A 6661 1.166 3.964 6.889 -1.2801 -2.7168 0.2143 56DPPE H12B 6662 1.092 3.945 6.731 0.0577 1.2503 -0.5259 56DPPE C11 6663 1.253 3.792 6.779 0.2639 0.2231 -0.0245 56DPPE H11A 6664 1.187 3.727 6.840 -1.8608 3.0991 0.9489 56DPPE H11B 6665 1.358 3.796 6.814 1.7370 3.4161 -3.9928 56DPPE P 6666 1.294 3.588 6.630 0.2073 0.1083 0.2742 56DPPE O13 6667 1.179 3.499 6.658 0.3339 -0.0204 0.3931 56DPPE O14 6668 1.419 3.557 6.703 0.2758 -0.4524 -0.0715 56DPPE O11 6669 1.316 3.578 6.472 0.0561 -0.1606 0.2693 56DPPE O12 6670 1.250 3.741 6.645 0.6197 0.2590 -0.0470 56DPPE C1 6671 1.196 3.610 6.401 -0.1098 -0.6587 0.3242 56DPPE HA 6672 1.209 3.682 6.317 0.7471 -0.5739 0.5169 56DPPE HB 6673 1.107 3.639 6.462 1.2126 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6709 1.439 3.273 5.402 0.2190 0.2975 -0.2920 56DPPE H9R 6710 1.487 3.175 5.379 -2.0298 -0.9319 0.0164 56DPPE H9S 6711 1.495 3.351 5.346 0.1634 1.0042 0.6201 56DPPE C210 6712 1.297 3.247 5.353 -0.0035 -0.2713 0.6153 56DPPE H10R 6713 1.251 3.348 5.344 -0.6743 -0.5904 0.3795 56DPPE H10S 6714 1.252 3.191 5.437 4.1479 -3.6682 0.8631 56DPPE C211 6715 1.273 3.178 5.218 -0.1605 0.7598 0.1033 56DPPE H11R 6716 1.309 3.073 5.216 -2.0994 -0.0211 2.2644 56DPPE H11S 6717 1.335 3.226 5.139 1.1843 -0.6047 0.2875 56DPPE C212 6718 1.124 3.181 5.183 -0.2276 -0.2408 0.2795 56DPPE H12R 6719 1.079 3.281 5.202 -3.6964 -1.3243 -1.4601 56DPPE H12S 6720 1.074 3.098 5.237 -1.0187 -0.2382 -0.4188 56DPPE C213 6721 1.092 3.154 5.036 0.1663 0.0376 0.1398 56DPPE H13R 6722 0.985 3.125 5.034 0.8997 -3.0910 -2.5728 56DPPE H13S 6723 1.151 3.068 4.998 1.4378 0.8429 0.2379 56DPPE C214 6724 1.132 3.273 4.948 0.2280 -0.0943 -0.0110 56DPPE H14R 6725 1.240 3.294 4.954 0.0793 0.2291 2.6502 56DPPE H14S 6726 1.083 3.372 4.964 0.0532 0.3222 -2.6247 56DPPE C215 6727 1.103 3.248 4.799 -0.1898 -0.0818 0.0650 56DPPE H15R 6728 1.171 3.166 4.767 1.5517 0.5627 1.8198 56DPPE H15S 6729 1.125 3.340 4.741 -0.6777 0.2019 0.3275 56DPPE C216 6730 0.957 3.217 4.770 -0.0484 -0.6847 -0.0273 56DPPE H16R 6731 0.887 3.298 4.801 2.2206 2.1274 -1.7566 56DPPE H16S 6732 0.933 3.122 4.823 -2.8491 0.3528 0.7748 56DPPE H16T 6733 0.939 3.198 4.662 1.3960 2.4102 -0.9429 56DPPE C33 6734 1.225 3.662 5.816 0.1395 -0.4264 -0.5505 56DPPE H3X 6735 1.193 3.580 5.749 2.7526 1.8668 -5.0476 56DPPE H3Y 6736 1.328 3.634 5.846 0.3194 0.9254 0.2168 56DPPE C34 6737 1.232 3.792 5.736 -0.2795 -0.0935 -0.0563 56DPPE H4X 6738 1.260 3.874 5.807 2.1305 -0.7241 -0.1782 56DPPE H4Y 6739 1.124 3.812 5.721 0.2073 1.9478 -1.2063 56DPPE C35 6740 1.325 3.796 5.615 0.0825 -0.3457 0.2107 56DPPE H5X 6741 1.430 3.772 5.644 -0.0997 0.3314 1.5254 56DPPE H5Y 6742 1.334 3.905 5.595 -0.2253 -0.0374 1.6772 56DPPE C36 6743 1.280 3.707 5.499 0.4907 -0.0483 -0.1830 56DPPE H6X 6744 1.171 3.718 5.482 0.4809 -0.9619 -0.7917 56DPPE H6Y 6745 1.309 3.602 5.519 -1.7011 -0.6650 0.0460 56DPPE C37 6746 1.354 3.736 5.369 0.6557 -0.1744 -0.1168 56DPPE H7X 6747 1.456 3.758 5.407 0.3614 -0.2338 0.7060 56DPPE H7Y 6748 1.313 3.828 5.323 1.0426 1.0689 1.9355 56DPPE C38 6749 1.360 3.621 5.268 0.0501 -0.1825 -0.1424 56DPPE H8X 6750 1.262 3.585 5.229 0.2525 -0.7996 -0.0897 56DPPE H8Y 6751 1.399 3.536 5.328 1.0033 1.5709 1.8280 56DPPE C39 6752 1.445 3.659 5.146 0.3170 -0.4912 -0.0545 56DPPE H9X 6753 1.548 3.677 5.182 -0.3503 1.6531 0.9477 56DPPE H9Y 6754 1.402 3.754 5.107 -1.6758 0.1827 3.3624 56DPPE C310 6755 1.442 3.569 5.023 0.7614 -0.4887 -0.0664 56DPPE H10X 6756 1.339 3.572 4.982 -0.4218 0.0991 2.7098 56DPPE H10Y 6757 1.476 3.470 5.062 -1.9644 -0.4977 2.6510 56DPPE C311 6758 1.521 3.614 4.899 -0.2099 0.3415 -0.3918 56DPPE H11X 6759 1.624 3.645 4.927 -0.2551 -0.1777 0.3896 56DPPE H11Y 6760 1.474 3.697 4.842 2.1475 0.5367 -2.2024 56DPPE C312 6761 1.562 3.496 4.811 0.3566 -0.0662 0.4063 56DPPE H12X 6762 1.607 3.425 4.884 -1.5112 0.2379 1.9369 56DPPE H12Y 6763 1.632 3.523 4.729 0.1449 -0.1406 0.2021 56DPPE C313 6764 1.449 3.428 4.734 0.2130 0.4557 0.1565 56DPPE H13X 6765 1.379 3.393 4.813 1.2777 0.5360 1.1679 56DPPE H13Y 6766 1.494 3.340 4.684 -0.0762 -1.1948 2.6402 56DPPE C314 6767 1.363 3.520 4.646 0.1587 -0.0961 -0.3684 56DPPE H14X 6768 1.291 3.459 4.587 0.8183 -1.9264 0.6218 56DPPE H14Y 6769 1.310 3.595 4.707 -0.3917 1.1929 -2.3350 56DPPE C315 6770 1.441 3.608 4.548 0.2208 0.2825 0.0201 56DPPE H15X 6771 1.500 3.681 4.608 -1.4303 0.1344 1.9449 56DPPE H15Y 6772 1.379 3.670 4.480 -0.5857 -0.3472 0.1734 56DPPE C316 6773 1.534 3.530 4.455 0.9587 0.8736 0.2533 56DPPE H16X 6774 1.587 3.613 4.402 0.8449 0.6100 -0.2743 56DPPE H16Y 6775 1.489 3.462 4.379 0.3607 0.3502 1.0609 56DPPE H16Z 6776 1.595 3.460 4.515 1.2634 1.8227 1.0802 57DPPE N 6777 0.977 4.719 6.495 -0.0725 -0.7190 0.3117 57DPPE HN1 6778 0.876 4.744 6.490 -0.7015 -3.0839 -0.2449 57DPPE HN2 6779 1.019 4.721 6.590 -0.4434 1.3108 0.4863 57DPPE HN3 6780 1.036 4.790 6.447 -0.7917 -1.1773 -1.3120 57DPPE C12 6781 0.989 4.589 6.419 -0.0994 -0.7354 0.3353 57DPPE H12A 6782 0.935 4.606 6.323 0.9080 -0.3334 -0.1782 57DPPE H12B 6783 0.947 4.504 6.477 0.4810 -1.5878 -0.4643 57DPPE C11 6784 1.134 4.548 6.393 -0.0149 -0.5913 0.5758 57DPPE H11A 6785 1.190 4.632 6.347 0.3408 -1.0327 0.1927 57DPPE H11B 6786 1.118 4.463 6.323 0.3245 -0.3707 0.2274 57DPPE P 6787 1.347 4.473 6.493 0.0404 -0.0025 0.3217 57DPPE O13 6788 1.396 4.367 6.584 0.7666 -0.1123 -0.1878 57DPPE O14 6789 1.405 4.608 6.513 -0.1613 0.1890 -0.3580 57DPPE O11 6790 1.375 4.441 6.339 0.0366 0.1461 0.2903 57DPPE O12 6791 1.191 4.501 6.515 0.0274 -0.3295 0.6575 57DPPE C1 6792 1.403 4.304 6.308 -0.1335 0.1689 0.0290 57DPPE HA 6793 1.303 4.261 6.290 -0.8727 3.0629 -4.1548 57DPPE HB 6794 1.464 4.259 6.390 -1.5781 1.4755 1.9109 57DPPE C2 6795 1.487 4.290 6.180 -0.0179 0.0387 0.1178 57DPPE HS 6796 1.503 4.181 6.167 -0.7464 -0.2860 1.6888 57DPPE O21 6797 1.604 4.372 6.180 0.1182 -0.1520 -0.5258 57DPPE C21 6798 1.701 4.339 6.266 -0.0349 -0.1803 -0.3652 57DPPE O22 6799 1.686 4.267 6.363 -0.3717 0.0921 -0.2096 57DPPE C22 6800 1.830 4.408 6.224 -0.0613 -0.0493 -0.2313 57DPPE H2R 6801 1.911 4.360 6.284 0.4988 0.5376 -0.5139 57DPPE H2S 6802 1.803 4.512 6.253 -1.2211 -0.3450 -0.1946 57DPPE C3 6803 1.398 4.335 6.063 0.3432 0.0846 -0.1410 57DPPE HX 6804 1.376 4.444 6.061 0.1770 0.0792 0.8429 57DPPE HY 6805 1.297 4.292 6.078 0.1188 -0.0578 -1.8651 57DPPE O31 6806 1.457 4.297 5.939 -0.0059 0.1721 -0.3375 57DPPE C31 6807 1.413 4.184 5.883 0.3493 -0.0357 -0.2017 57DPPE O32 6808 1.320 4.115 5.922 0.0826 0.1455 -0.5165 57DPPE C32 6809 1.486 4.147 5.754 0.5190 -0.0088 -0.1132 57DPPE H2X 6810 1.463 4.044 5.721 -1.7218 0.4854 -0.2676 57DPPE H2Y 6811 1.595 4.166 5.768 0.3990 0.3820 0.3320 57DPPE C23 6812 1.864 4.401 6.075 0.0523 0.0934 -0.2125 57DPPE H3R 6813 1.963 4.447 6.058 0.3058 -0.2030 0.4323 57DPPE H3S 6814 1.782 4.457 6.024 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6832 1.887 3.920 5.395 -0.2133 0.0193 -0.2533 57DPPE C210 6833 1.980 4.106 5.339 -0.1071 0.3605 0.3710 57DPPE H10R 6834 2.067 4.037 5.334 -0.2513 0.2061 -0.1138 57DPPE H10S 6835 2.009 4.198 5.394 1.1317 -0.2607 0.7828 57DPPE C211 6836 1.921 4.136 5.201 0.2203 -0.2908 0.0885 57DPPE H11R 6837 1.999 4.190 5.144 1.1797 -1.7615 -0.0592 57DPPE H11S 6838 1.834 4.203 5.220 -0.1190 -0.6112 -0.2968 57DPPE C212 6839 1.876 4.016 5.116 -0.1774 0.1925 -0.3912 57DPPE H12R 6840 1.786 3.987 5.174 0.9416 0.5512 1.6179 57DPPE H12S 6841 1.944 3.929 5.131 -1.1466 -0.1418 2.7549 57DPPE C213 6842 1.867 4.057 4.969 0.1244 0.2519 -0.3955 57DPPE H13R 6843 1.970 4.096 4.954 0.2995 -0.1666 -0.2765 57DPPE H13S 6844 1.796 4.142 4.960 -1.1183 -0.3843 2.2614 57DPPE C214 6845 1.837 3.942 4.873 -0.9052 0.2935 -0.1357 57DPPE H14R 6846 1.734 3.919 4.908 -1.4521 0.4490 -1.5640 57DPPE H14S 6847 1.910 3.859 4.879 0.0364 1.1265 0.0768 57DPPE C215 6848 1.803 3.987 4.730 0.2814 -0.2115 -0.5899 57DPPE H15R 6849 1.886 4.039 4.679 -0.1477 -1.5254 -2.7649 57DPPE H15S 6850 1.715 4.054 4.724 -0.0239 -0.4589 0.6788 57DPPE C216 6851 1.772 3.867 4.640 0.3328 -0.5585 -0.1497 57DPPE H16R 6852 1.859 3.800 4.624 1.0771 0.3813 -0.1198 57DPPE H16S 6853 1.747 3.906 4.539 6.0838 2.9766 -0.6643 57DPPE H16T 6854 1.682 3.818 4.683 1.4217 -0.9713 1.7692 57DPPE C33 6855 1.441 4.223 5.630 0.7659 0.0735 -0.1540 57DPPE H3X 6856 1.493 4.321 5.627 -0.2845 0.6859 0.8811 57DPPE H3Y 6857 1.330 4.227 5.630 0.7566 -0.1335 0.7973 57DPPE C34 6858 1.483 4.158 5.498 -0.2345 -0.0822 -0.4085 57DPPE H4X 6859 1.473 4.048 5.496 -2.5744 0.0810 -2.3901 57DPPE H4Y 6860 1.584 4.192 5.466 -0.2131 0.5503 0.2922 57DPPE C35 6861 1.392 4.184 5.378 -0.1517 0.8178 -0.2862 57DPPE H5X 6862 1.369 4.292 5.384 2.0824 1.2422 3.3415 57DPPE H5Y 6863 1.290 4.146 5.398 -1.7322 4.6343 -0.3654 57DPPE C36 6864 1.452 4.127 5.249 -0.4684 -0.5705 0.1643 57DPPE H6X 6865 1.502 4.032 5.279 2.9752 1.1221 0.1946 57DPPE H6Y 6866 1.533 4.195 5.215 -1.4606 0.7674 0.4168 57DPPE C37 6867 1.342 4.117 5.143 -0.6075 0.0531 0.2490 57DPPE H7X 6868 1.297 4.219 5.140 0.1714 0.4125 0.4063 57DPPE H7Y 6869 1.264 4.041 5.162 -0.4279 0.1870 1.5883 57DPPE C38 6870 1.395 4.072 5.007 -0.2215 0.2538 0.3303 57DPPE H8X 6871 1.443 3.973 5.022 0.7177 0.7141 0.4129 57DPPE H8Y 6872 1.476 4.135 4.964 0.3570 0.5941 1.8591 57DPPE C39 6873 1.298 4.065 4.888 0.2566 1.0976 -0.1186 57DPPE H9X 6874 1.268 4.168 4.862 -2.1872 0.1794 -1.2054 57DPPE H9Y 6875 1.205 4.009 4.912 -0.2569 1.3610 -1.4040 57DPPE C310 6876 1.365 4.006 4.763 -0.3931 -0.3133 0.1790 57DPPE H10X 6877 1.424 3.923 4.808 -3.1400 -1.1540 2.5729 57DPPE H10Y 6878 1.431 4.083 4.719 -0.5213 0.8662 1.9526 57DPPE C311 6879 1.260 3.946 4.670 -0.3250 -0.1856 0.0193 57DPPE H11X 6880 1.198 3.879 4.734 0.5489 -1.5832 -0.5630 57DPPE H11Y 6881 1.301 3.870 4.599 -1.3314 -2.7348 1.9951 57DPPE C312 6882 1.176 4.054 4.601 0.2247 -0.0185 -0.3899 57DPPE H12X 6883 1.235 4.108 4.523 -0.2683 0.1246 -0.6673 57DPPE H12Y 6884 1.155 4.137 4.671 1.4748 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C211 7199 6.603 0.194 5.076 0.0324 0.2235 -0.0521 60DPPE H11R 7200 6.634 0.291 5.033 -1.0161 1.2079 1.3214 60DPPE H11S 7201 6.496 0.167 5.069 -0.0448 0.2768 0.7829 60DPPE C212 7202 6.659 0.077 4.994 -0.1447 -0.0071 0.1547 60DPPE H12R 7203 6.610 -0.009 5.045 0.2576 1.2217 2.8218 60DPPE H12S 7204 6.768 0.059 5.002 -0.0200 -0.9518 -2.6512 60DPPE C213 7205 6.630 0.100 4.846 -0.1471 0.0992 0.1713 60DPPE H13R 7206 6.687 0.190 4.815 -1.2015 0.9791 0.6929 60DPPE H13S 7207 6.519 0.105 4.837 -0.3090 0.0677 1.8792 60DPPE C214 7208 6.679 -0.022 4.767 0.4288 0.1629 0.4229 60DPPE H14R 7209 6.634 -0.119 4.796 2.0037 -0.9709 -0.7764 60DPPE H14S 7210 6.782 -0.054 4.791 0.4171 -1.3628 -1.3497 60DPPE C215 7211 6.672 -0.015 4.615 -0.1992 -0.2492 0.4271 60DPPE H15R 7212 6.692 0.087 4.574 -1.5861 0.6367 1.8505 60DPPE H15S 7213 6.737 -0.095 4.574 -2.2278 -1.7680 0.0481 60DPPE C216 7214 6.536 -0.057 4.560 -0.4863 0.0143 0.9322 60DPPE H16R 7215 6.553 -0.067 4.451 -2.0356 1.8399 0.4605 60DPPE H16S 7216 6.446 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61DPPE H11S 7322 3.888 4.125 4.796 1.7551 1.1780 0.1268 61DPPE C212 7323 3.924 3.912 4.815 0.7364 0.1070 0.5557 61DPPE H12R 7324 3.828 3.887 4.766 1.4643 2.3472 -2.2599 61DPPE H12S 7325 3.937 3.839 4.897 -0.4883 -0.3592 0.3503 61DPPE C213 7326 4.025 3.900 4.701 0.2410 -0.0872 0.1329 61DPPE H13R 7327 4.129 3.910 4.741 0.2358 0.2021 0.0752 61DPPE H13S 7328 4.020 3.976 4.621 -0.5493 -1.8348 -1.5508 61DPPE C214 7329 4.001 3.772 4.621 0.6258 0.0262 -0.1677 61DPPE H14R 7330 3.893 3.745 4.624 0.3350 0.9301 4.1253 61DPPE H14S 7331 4.053 3.694 4.681 1.4516 1.8609 1.6315 61DPPE C215 7332 4.039 3.772 4.473 -0.1717 0.2587 -0.3745 61DPPE H15R 7333 4.149 3.767 4.463 -0.2321 -0.1396 -0.8940 61DPPE H15S 7334 3.996 3.866 4.434 0.6501 0.6662 -0.2967 61DPPE C216 7335 3.980 3.657 4.390 0.2912 -0.1150 -0.1923 61DPPE H16R 7336 3.870 3.657 4.406 0.4003 -0.0135 0.6239 61DPPE H16S 7337 4.028 3.563 4.425 -0.3897 -0.4352 -0.1084 61DPPE H16T 7338 4.006 3.679 4.284 1.0819 -2.0240 -0.4179 61DPPE C33 7339 4.192 4.040 5.533 -0.2399 -0.3755 -0.0932 61DPPE H3X 7340 4.095 3.986 5.535 -2.1797 2.8409 1.8352 61DPPE H3Y 7341 4.251 4.008 5.622 0.3399 0.6416 -0.0912 61DPPE C34 7342 4.275 4.015 5.407 0.1339 0.5652 -0.0447 61DPPE H4X 7343 4.323 3.915 5.409 -0.7922 0.1207 0.4849 61DPPE H4Y 7344 4.343 4.103 5.399 -0.7846 1.2615 -0.3618 61DPPE C35 7345 4.182 4.017 5.285 -0.3733 0.8687 0.3461 61DPPE H5X 7346 4.121 4.110 5.277 -2.0247 -0.3551 -3.6445 61DPPE H5Y 7347 4.113 3.931 5.300 1.1284 -0.1032 2.1347 61DPPE C36 7348 4.251 4.020 5.149 -0.4719 -0.6535 0.2462 61DPPE H6X 7349 4.305 4.117 5.140 -0.8940 -0.3764 0.6602 61DPPE H6Y 7350 4.179 4.020 5.065 1.2222 5.1771 -1.7156 61DPPE C37 7351 4.349 3.904 5.127 0.4554 0.0824 0.4295 61DPPE H7X 7352 4.289 3.812 5.142 1.1415 -0.3828 0.3298 61DPPE H7Y 7353 4.442 3.907 5.187 0.9965 -2.8033 -0.1396 61DPPE C38 7354 4.407 3.905 4.986 0.4250 -0.9499 0.4044 61DPPE H8X 7355 4.322 3.879 4.919 1.5022 1.3018 -2.0131 61DPPE H8Y 7356 4.481 3.823 4.981 -0.3323 -1.7786 2.0204 61DPPE C39 7357 4.459 4.039 4.933 0.0139 -0.9003 0.1140 61DPPE H9X 7358 4.531 4.077 5.009 -3.4601 0.8756 2.7894 61DPPE H9Y 7359 4.387 4.123 4.928 2.7912 1.6414 0.1616 61DPPE C310 7360 4.529 4.031 4.797 -0.1392 -0.4329 0.0090 61DPPE H10X 7361 4.552 4.132 4.754 2.4628 -0.7629 0.4787 61DPPE H10Y 7362 4.467 3.961 4.738 0.0238 -1.7962 1.4005 61DPPE C311 7363 4.670 3.972 4.794 0.0809 0.0753 0.2225 61DPPE H11X 7364 4.672 3.875 4.847 1.0189 -0.2792 -0.4315 61DPPE H11Y 7365 4.731 4.036 4.862 -0.4287 0.6851 0.1202 61DPPE C312 7366 4.739 3.972 4.657 0.3506 0.0283 0.3588 61DPPE H12X 7367 4.678 3.910 4.588 0.2780 -0.4654 0.8575 61DPPE H12Y 7368 4.837 3.922 4.671 0.9566 1.0575 -0.1290 61DPPE C313 7369 4.751 4.110 4.592 -0.2918 0.2173 0.6313 61DPPE H13X 7370 4.806 4.182 4.655 0.9900 0.2175 -0.4486 61DPPE H13Y 7371 4.653 4.160 4.573 -0.9326 -0.1828 2.6238 61DPPE C314 7372 4.842 4.109 4.469 -0.5541 0.2932 0.4356 61DPPE H14X 7373 4.943 4.082 4.505 -0.2845 -0.1173 -0.5970 61DPPE H14Y 7374 4.859 4.217 4.446 -0.9494 1.2312 3.9577 61DPPE C315 7375 4.811 4.019 4.349 0.9959 0.0985 0.1532 61DPPE H15X 7376 4.702 4.040 4.340 1.1419 0.3120 -1.2892 61DPPE H15Y 7377 4.834 3.911 4.356 1.0458 -0.1274 -2.7250 61DPPE C316 7378 4.868 4.085 4.224 0.0145 -0.4164 -0.5813 61DPPE H16X 7379 4.809 4.031 4.147 -0.8833 -0.6631 0.2650 61DPPE H16Y 7380 4.974 4.053 4.212 0.0653 -0.8068 0.7038 61DPPE H16Z 7381 4.845 4.192 4.206 -1.5798 -0.9190 -1.8400 62DPPE N 7382 3.072 5.037 6.415 0.4524 0.2846 -0.0877 62DPPE HN1 7383 2.971 5.013 6.417 0.2618 0.9209 2.6605 62DPPE HN2 7384 3.106 4.942 6.442 -2.5705 -1.1066 -0.7432 62DPPE HN3 7385 3.093 5.100 6.495 0.0454 -0.2385 0.4469 62DPPE C12 7386 3.113 5.077 6.275 0.1014 0.0108 -0.2691 62DPPE H12A 7387 3.090 4.989 6.211 0.1882 -0.6907 0.6311 62DPPE H12B 7388 3.046 5.159 6.241 2.1103 1.0254 -1.9296 62DPPE C11 7389 3.260 5.118 6.271 0.1063 0.0573 0.2269 62DPPE H11A 7390 3.296 5.132 6.166 0.2987 0.5618 0.3589 62DPPE H11B 7391 3.325 5.040 6.316 0.2597 0.1515 0.1699 62DPPE P 7392 3.417 5.304 6.337 -0.0914 0.2682 -0.2307 62DPPE O13 7393 3.517 5.208 6.391 0.0161 0.0169 -0.8682 62DPPE O14 7394 3.420 5.436 6.403 0.0252 0.0934 0.1215 62DPPE O11 7395 3.446 5.321 6.181 -0.3383 0.1607 -0.2893 62DPPE O12 7396 3.268 5.245 6.336 -0.1797 0.4936 -0.5656 62DPPE C1 7397 3.422 5.451 6.126 -0.2374 0.2909 -0.0258 62DPPE HA 7398 3.499 5.461 6.047 1.3527 0.5065 1.4924 62DPPE HB 7399 3.449 5.533 6.195 2.4395 -0.0914 -0.5206 62DPPE C2 7400 3.280 5.476 6.071 -0.2921 0.0018 -0.0158 62DPPE HS 7401 3.220 5.480 6.165 1.0403 0.6518 0.8391 62DPPE O21 7402 3.239 5.376 5.977 0.1071 -0.1203 -0.0623 62DPPE C21 7403 3.107 5.361 5.979 0.0927 0.0186 0.0749 62DPPE O22 7404 3.031 5.438 6.036 -0.5377 0.0029 -0.7178 62DPPE C22 7405 3.071 5.247 5.885 -0.2792 0.0708 0.1510 62DPPE H2R 7406 3.114 5.146 5.901 1.3045 0.3591 -1.8192 62DPPE H2S 7407 3.081 5.284 5.781 2.3699 -0.3376 0.1885 62DPPE C3 7408 3.281 5.613 6.001 -0.0277 -0.0238 -0.0645 62DPPE HX 7409 3.295 5.686 6.083 1.3567 2.4591 -2.3826 62DPPE HY 7410 3.179 5.624 5.958 0.0735 -1.6375 -0.8223 62DPPE O31 7411 3.363 5.627 5.885 0.0941 -0.1580 0.0042 62DPPE C31 7412 3.425 5.744 5.871 0.7131 -0.3514 1.0610 62DPPE O32 7413 3.407 5.841 5.944 0.2376 0.4044 -0.0324 62DPPE C32 7414 3.518 5.743 5.751 -0.7728 -0.8252 -0.1143 62DPPE H2X 7415 3.501 5.647 5.698 1.3165 -1.0419 -0.4465 62DPPE H2Y 7416 3.618 5.752 5.797 -1.1402 1.3643 0.3825 62DPPE C23 7417 2.920 5.222 5.893 -0.2604 -0.0830 0.0332 62DPPE H3R 7418 2.854 5.307 5.865 -0.7618 -0.3171 0.4850 62DPPE H3S 7419 2.900 5.204 6.001 -2.0414 3.5645 0.4441 62DPPE C24 7420 2.878 5.093 5.823 -0.0800 -0.2353 0.2060 62DPPE H4R 7421 2.899 5.004 5.887 -3.2599 0.0655 1.8454 62DPPE H4S 7422 2.933 5.090 5.726 1.0781 -0.3968 0.8494 62DPPE C25 7423 2.725 5.094 5.813 -0.1133 -0.4356 0.6731 62DPPE H5R 7424 2.695 5.150 5.722 -0.1605 -0.6156 0.5791 62DPPE H5S 7425 2.695 5.145 5.907 0.7111 2.2437 -0.4250 62DPPE C26 7426 2.649 4.962 5.798 -0.1643 -0.3151 -0.1760 62DPPE H6R 7427 2.543 4.993 5.786 0.1072 0.3930 -0.8347 62DPPE H6S 7428 2.669 4.900 5.888 1.8362 0.7865 0.2164 62DPPE C27 7429 2.682 4.866 5.684 0.5696 -0.3417 0.0510 62DPPE H7R 7430 2.608 4.783 5.678 1.5121 -1.1401 -0.8414 62DPPE H7S 7431 2.783 4.822 5.701 0.7802 0.8122 2.0653 62DPPE C28 7432 2.667 4.942 5.553 0.1301 -0.6485 -0.0815 62DPPE H8R 7433 2.751 5.015 5.556 0.6758 -1.2961 2.3486 62DPPE H8S 7434 2.569 4.995 5.553 0.1932 -0.5321 0.0155 62DPPE C29 7435 2.692 4.866 5.423 0.4947 0.1435 -0.4875 62DPPE H9R 7436 2.637 4.769 5.425 0.7359 0.0162 -0.0850 62DPPE H9S 7437 2.800 4.841 5.424 -0.2396 -3.7853 0.4860 62DPPE C210 7438 2.647 4.937 5.295 -0.3311 0.6210 0.0609 62DPPE H10R 7439 2.661 5.046 5.311 0.5738 0.3922 0.9251 62DPPE H10S 7440 2.544 4.910 5.265 -0.5578 -1.3288 2.3242 62DPPE C211 7441 2.739 4.916 5.175 -0.3887 0.0356 0.1175 62DPPE H11R 7442 2.769 4.809 5.176 0.2661 0.2173 1.3633 62DPPE H11S 7443 2.830 4.976 5.194 -0.6281 -0.2917 2.5794 62DPPE C212 7444 2.678 4.976 5.047 0.0692 -0.1565 -0.1941 62DPPE H12R 7445 2.633 5.076 5.065 -0.5542 -0.6069 0.9131 62DPPE H12S 7446 2.584 4.924 5.019 -0.2532 -0.7256 1.7333 62DPPE C213 7447 2.781 4.973 4.934 0.0992 -0.0527 -0.1687 62DPPE H13R 7448 2.798 4.870 4.896 3.2930 0.6501 -0.9374 62DPPE H13S 7449 2.880 5.009 4.969 0.2363 -1.5919 1.1581 62DPPE C214 7450 2.715 5.051 4.820 0.0562 0.0800 -0.0539 62DPPE H14R 7451 2.673 5.145 4.861 -0.6240 -0.6712 1.0201 62DPPE H14S 7452 2.621 4.999 4.794 -0.5497 0.9155 0.4213 62DPPE C215 7453 2.812 5.079 4.705 -0.0299 -0.4559 -0.2603 62DPPE H15R 7454 2.915 5.084 4.748 0.7087 0.2655 -2.0126 62DPPE H15S 7455 2.772 5.173 4.661 -0.7330 0.0772 1.4512 62DPPE C216 7456 2.812 4.969 4.599 -1.0744 -0.6289 -0.0882 62DPPE H16R 7457 2.707 4.933 4.593 -1.4195 -0.0002 1.7256 62DPPE H16S 7458 2.864 4.881 4.642 -1.2669 0.3437 2.2919 62DPPE H16T 7459 2.856 4.995 4.500 -1.5831 0.2415 -0.0972 62DPPE C33 7460 3.509 5.851 5.642 0.4257 -0.8260 -0.2183 62DPPE H3X 7461 3.614 5.878 5.616 0.8235 -1.3331 0.8108 62DPPE H3Y 7462 3.470 5.946 5.684 0.8357 -0.8003 0.1198 62DPPE C34 7463 3.443 5.807 5.512 0.1826 -0.2050 -0.3078 62DPPE H4X 7464 3.348 5.750 5.518 0.3971 -0.4313 1.1533 62DPPE H4Y 7465 3.512 5.727 5.478 -0.1102 -0.0058 -1.4229 62DPPE C35 7466 3.443 5.897 5.388 0.2959 0.2232 0.0035 62DPPE H5X 7467 3.547 5.934 5.376 0.5027 0.5289 2.1848 62DPPE H5Y 7468 3.373 5.981 5.410 0.6819 0.2773 1.0796 62DPPE C36 7469 3.390 5.830 5.261 0.1927 -0.5626 0.4543 62DPPE H6X 7470 3.341 5.909 5.201 -1.0087 0.9355 3.1992 62DPPE H6Y 7471 3.308 5.760 5.287 -0.7930 0.7577 0.9908 62DPPE C37 7472 3.505 5.763 5.186 -0.1842 -0.8274 0.1106 62DPPE H7X 7473 3.528 5.667 5.236 1.9261 -0.1733 0.5341 62DPPE H7Y 7474 3.591 5.834 5.175 0.2227 -1.4498 -0.8912 62DPPE C38 7475 3.464 5.738 5.040 -0.3453 0.3187 -0.0483 62DPPE H8X 7476 3.565 5.716 4.998 0.4424 1.3331 1.2045 62DPPE H8Y 7477 3.422 5.832 4.998 -2.2713 -1.5312 -2.5550 62DPPE C39 7478 3.372 5.617 5.033 -0.3451 0.3204 -0.0853 62DPPE H9X 7479 3.274 5.634 5.082 -0.1520 -0.7245 0.6868 62DPPE H9Y 7480 3.419 5.528 5.079 0.1299 1.0962 0.9736 62DPPE C310 7481 3.332 5.569 4.893 1.0242 -0.2873 -0.2800 62DPPE H10X 7482 3.252 5.493 4.904 0.5187 0.3357 0.5178 62DPPE H10Y 7483 3.419 5.519 4.845 0.5531 -2.0123 0.6033 62DPPE C311 7484 3.277 5.685 4.810 0.1691 -0.5332 -0.0669 62DPPE H11X 7485 3.360 5.752 4.776 -2.0131 1.9211 -0.9121 62DPPE H11Y 7486 3.196 5.748 4.853 1.5408 1.5011 -0.3267 62DPPE C312 7487 3.226 5.648 4.671 0.3358 0.7423 -0.4792 62DPPE H12X 7488 3.136 5.586 4.690 0.6390 0.8453 1.5015 62DPPE H12Y 7489 3.303 5.583 4.625 -1.1987 0.1193 -2.3034 62DPPE C313 7490 3.187 5.760 4.574 -0.0631 0.7787 -0.2769 62DPPE H13X 7491 3.282 5.816 4.564 0.5093 -0.0609 0.3795 62DPPE H13Y 7492 3.110 5.813 4.634 1.4704 0.9077 1.6609 62DPPE C314 7493 3.135 5.718 4.436 -0.0044 -0.2785 0.0124 62DPPE H14X 7494 3.115 5.811 4.379 0.5031 -0.6463 -0.7749 62DPPE H14Y 7495 3.211 5.664 4.376 -2.1634 -1.3841 -1.9027 62DPPE C315 7496 3.021 5.616 4.437 0.1433 -0.4492 1.2271 62DPPE H15X 7497 2.941 5.669 4.493 1.4487 3.2983 -0.1535 62DPPE H15Y 7498 3.046 5.517 4.479 0.7033 -0.5901 0.5834 62DPPE C316 7499 2.983 5.582 4.293 0.5570 0.7831 0.8128 62DPPE H16X 7500 3.048 5.504 4.248 -1.0111 0.7009 -1.5465 62DPPE H16Y 7501 2.978 5.673 4.229 -1.2461 0.2245 0.0876 62DPPE H16Z 7502 2.884 5.530 4.295 1.3222 -0.7326 0.5122 63DPPE N 7503 3.477 1.461 6.048 -0.4819 0.1509 0.2330 63DPPE HN1 7504 3.433 1.504 5.964 0.3651 0.2848 -0.1507 63DPPE HN2 7505 3.542 1.534 6.082 -1.3583 1.5476 -0.9582 63DPPE HN3 7506 3.537 1.379 6.027 1.1346 0.3707 3.4770 63DPPE C12 7507 3.381 1.407 6.152 -0.3927 -0.0372 0.2178 63DPPE H12A 7508 3.425 1.411 6.254 -0.4849 -1.0101 0.3053 63DPPE H12B 7509 3.362 1.303 6.118 0.2559 0.6632 -2.4890 63DPPE C11 7510 3.261 1.500 6.165 -0.1627 0.2905 0.0127 63DPPE H11A 7511 3.288 1.600 6.206 -0.3472 -0.2080 1.3782 63DPPE H11B 7512 3.193 1.442 6.231 0.4409 -1.1527 -0.5925 63DPPE P 7513 3.057 1.597 6.040 0.0283 0.0207 0.4645 63DPPE O13 7514 3.087 1.733 5.991 -0.2629 -0.1642 -0.2340 63DPPE O14 7515 2.979 1.574 6.164 -0.2486 0.1707 0.3167 63DPPE O11 7516 2.982 1.520 5.922 0.3297 -0.0528 0.3198 63DPPE O12 7517 3.195 1.516 6.038 0.1634 0.2597 -0.1612 63DPPE C1 7518 3.047 1.501 5.796 -0.4318 0.4512 -0.1508 63DPPE HA 7519 3.047 1.393 5.770 0.4870 0.8249 -1.8553 63DPPE HB 7520 3.152 1.537 5.804 -0.1879 0.3569 -2.2193 63DPPE C2 7521 2.988 1.592 5.686 0.2869 0.6317 -0.3900 63DPPE HS 7522 2.965 1.689 5.736 -1.4164 0.4243 -0.7036 63DPPE O21 7523 2.864 1.540 5.639 0.6189 -0.2550 -0.3078 63DPPE C21 7524 2.762 1.626 5.626 1.0734 0.2792 -0.3772 63DPPE O22 7525 2.763 1.743 5.662 0.1025 0.0166 0.5699 63DPPE C22 7526 2.644 1.561 5.556 0.5341 0.7261 0.1098 63DPPE H2R 7527 2.588 1.491 5.623 1.6626 0.3925 0.7336 63DPPE H2S 7528 2.688 1.519 5.464 -0.0154 -2.9051 1.3236 63DPPE C3 7529 3.086 1.610 5.568 -0.0201 0.7817 -0.6223 63DPPE HX 7530 3.108 1.505 5.543 -2.7816 -0.3802 1.2485 63DPPE HY 7531 3.180 1.663 5.596 -1.6340 2.3855 2.3302 63DPPE O31 7532 3.032 1.662 5.447 -0.1605 0.1134 -0.8505 63DPPE C31 7533 3.062 1.790 5.423 -0.0073 0.0863 -0.8057 63DPPE O32 7534 3.127 1.856 5.503 -0.1266 -0.5092 -0.2094 63DPPE C32 7535 3.015 1.827 5.283 -0.4420 -0.2442 -0.7507 63DPPE H2X 7536 3.051 1.760 5.202 1.3712 0.4876 -0.5973 63DPPE H2Y 7537 3.063 1.923 5.254 0.5396 -0.4685 0.0748 63DPPE C23 7538 2.553 1.672 5.503 -0.1400 0.1097 -0.0516 63DPPE H3R 7539 2.609 1.746 5.441 -1.4325 0.2348 -1.0985 63DPPE H3S 7540 2.522 1.720 5.598 2.5369 -0.1037 1.0404 63DPPE C24 7541 2.431 1.632 5.421 -0.3728 0.1689 0.2657 63DPPE H4R 7542 2.359 1.567 5.475 -2.1738 0.0996 -2.0352 63DPPE H4S 7543 2.458 1.554 5.347 -0.2961 -0.8667 1.3635 63DPPE C25 7544 2.348 1.742 5.355 0.0035 0.1138 -0.3060 63DPPE H5R 7545 2.314 1.813 5.433 0.5343 0.2799 -0.2242 63DPPE H5S 7546 2.250 1.699 5.323 -0.3120 1.0286 -0.6194 63DPPE C26 7547 2.414 1.814 5.237 -0.4473 0.4981 -0.3317 63DPPE H6R 7548 2.521 1.815 5.268 0.1808 0.7254 -2.3821 63DPPE H6S 7549 2.364 1.912 5.223 -0.3964 0.7249 0.9520 63DPPE C27 7550 2.401 1.735 5.107 -0.8283 0.5335 -0.3137 63DPPE H7R 7551 2.294 1.715 5.081 -1.0078 0.4795 0.4397 63DPPE H7S 7552 2.460 1.641 5.103 1.6087 1.9976 -0.2294 63DPPE C28 7553 2.472 1.815 4.998 0.2283 0.0197 -0.0105 63DPPE H8R 7554 2.583 1.817 5.003 0.2752 0.8206 -1.1091 63DPPE H8S 7555 2.446 1.921 5.016 -0.3547 -0.0558 -0.3889 63DPPE C29 7556 2.425 1.775 4.858 -0.2804 -0.4933 0.3021 63DPPE H9R 7557 2.325 1.728 4.869 0.0684 -0.9152 1.8502 63DPPE H9S 7558 2.497 1.704 4.814 -1.4992 -0.3874 -2.0031 63DPPE C210 7559 2.390 1.890 4.762 0.5495 -0.6110 -0.1504 63DPPE H10R 7560 2.482 1.946 4.736 -0.2773 2.4276 2.7169 63DPPE H10S 7561 2.314 1.950 4.817 1.4405 0.2697 0.1461 63DPPE C211 7562 2.312 1.832 4.644 -0.7790 0.4108 0.1973 63DPPE H11R 7563 2.264 1.916 4.590 -0.7732 0.4131 0.1962 63DPPE H11S 7564 2.239 1.765 4.694 0.5309 1.6295 4.1559 63DPPE C212 7565 2.405 1.752 4.552 -0.5563 1.0050 -0.0978 63DPPE H12R 7566 2.423 1.657 4.606 -0.3964 2.1370 1.9386 63DPPE H12S 7567 2.503 1.803 4.546 -0.0164 0.5197 2.9754 63DPPE C213 7568 2.346 1.703 4.419 -0.0023 -0.0964 0.0554 63DPPE H13R 7569 2.333 1.788 4.349 -1.7348 -0.2946 0.1007 63DPPE H13S 7570 2.246 1.660 4.441 -0.6916 2.1344 1.6778 63DPPE C214 7571 2.432 1.618 4.325 -0.1882 -0.1335 -0.0793 63DPPE H14R 7572 2.383 1.610 4.225 -0.7569 3.0806 -0.1797 63DPPE H14S 7573 2.464 1.526 4.378 0.7516 0.0142 -0.3768 63DPPE C215 7574 2.562 1.691 4.289 -0.4244 0.1211 -0.4260 63DPPE H15R 7575 2.625 1.681 4.380 0.4703 1.4652 -0.8581 63DPPE H15S 7576 2.547 1.801 4.274 -1.9358 -0.2857 -2.2986 63DPPE C216 7577 2.634 1.614 4.180 -0.2192 -0.1984 -0.0679 63DPPE H16R 7578 2.614 1.649 4.076 -0.3424 -2.3460 -0.8342 63DPPE H16S 7579 2.594 1.510 4.193 -3.0603 0.6334 -1.2174 63DPPE H16T 7580 2.743 1.627 4.194 -0.2164 1.3531 -1.2667 63DPPE C33 7581 2.864 1.846 5.276 -0.4501 0.2582 0.5201 63DPPE H3X 7582 2.833 1.910 5.362 1.7407 2.3112 -0.0973 63DPPE H3Y 7583 2.806 1.752 5.283 0.7410 -0.8762 -2.8161 63DPPE C34 7584 2.828 1.943 5.163 -0.5726 -0.6997 -0.2796 63DPPE H4X 7585 2.875 2.042 5.183 -3.1227 0.8005 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0.508 6.155 6.304 -0.7285 0.0270 -0.4747 64DPPE C1 7639 0.766 6.421 6.287 0.1090 -0.1983 0.7060 64DPPE HA 7640 0.862 6.408 6.231 -1.0330 -2.3581 -0.9240 64DPPE HB 7641 0.785 6.396 6.393 1.2989 1.9397 1.0465 64DPPE C2 7642 0.725 6.567 6.262 0.6807 -0.0861 0.3958 64DPPE HS 7643 0.632 6.589 6.318 0.3350 -2.5705 0.8907 64DPPE O21 7644 0.694 6.572 6.123 0.2499 0.0855 0.4970 64DPPE C21 7645 0.618 6.678 6.094 -0.1990 -0.2327 0.5087 64DPPE O22 7646 0.568 6.757 6.172 -0.6298 -0.0214 0.0291 64DPPE C22 7647 0.601 6.690 5.943 -0.2224 -0.1115 0.5212 64DPPE H2R 7648 0.567 6.590 5.908 -1.4528 1.0865 -1.9026 64DPPE H2S 7649 0.700 6.721 5.905 -0.5797 1.4175 0.7913 64DPPE C3 7650 0.838 6.662 6.305 0.5910 0.2706 -0.1466 64DPPE HX 7651 0.861 6.638 6.411 -0.5358 -0.7078 -0.1084 64DPPE HY 7652 0.812 6.769 6.287 2.2011 0.5838 -0.7991 64DPPE O31 7653 0.961 6.630 6.240 0.3516 -0.1944 -0.3698 64DPPE C31 7654 1.050 6.726 6.262 0.1658 -0.1829 0.3498 64DPPE O32 7655 1.037 6.827 6.331 0.3097 0.1499 -0.1048 64DPPE C32 7656 1.169 6.710 6.169 -0.4126 -0.4736 -0.3430 64DPPE H2X 7657 1.163 6.614 6.113 -0.1472 -0.9172 0.3662 64DPPE H2Y 7658 1.256 6.682 6.232 -0.0649 -0.1961 -0.6923 64DPPE C23 7659 0.496 6.790 5.895 0.1014 0.0685 0.1800 64DPPE H3R 7660 0.525 6.894 5.919 -0.7576 -0.1073 2.2352 64DPPE H3S 7661 0.412 6.780 5.968 0.9512 -0.1498 1.1594 64DPPE C24 7662 0.460 6.797 5.747 0.0102 -0.3539 0.1819 64DPPE H4R 7663 0.395 6.884 5.727 -0.7366 -0.9284 0.0391 64DPPE H4S 7664 0.398 6.706 5.727 -1.1416 0.7341 -1.4483 64DPPE C25 7665 0.577 6.810 5.649 0.3113 -0.3403 0.5412 64DPPE H5R 7666 0.644 6.728 5.681 1.3704 0.5760 0.7267 64DPPE H5S 7667 0.642 6.897 5.669 1.5905 -1.2810 0.6095 64DPPE C26 7668 0.540 6.781 5.503 -0.1221 0.1527 0.5480 64DPPE H6R 7669 0.492 6.681 5.504 -1.2122 0.6601 0.0107 64DPPE H6S 7670 0.632 6.793 5.442 0.3515 -2.0591 0.7186 64DPPE C27 7671 0.443 6.879 5.438 0.3719 0.1220 -0.2440 64DPPE H7R 7672 0.502 6.973 5.423 0.1655 0.0967 -1.3062 64DPPE H7S 7673 0.363 6.903 5.511 1.0837 2.0315 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0.604 6.700 4.718 -0.6694 0.2332 -0.3376 64DPPE C214 7692 0.503 6.534 4.625 0.1498 -0.1468 -0.1348 64DPPE H14R 7693 0.412 6.595 4.602 0.8257 -0.0157 -2.7912 64DPPE H14S 7694 0.474 6.428 4.639 0.5678 -0.2595 -0.1125 64DPPE C215 7695 0.581 6.546 4.494 0.6560 -0.2629 0.1559 64DPPE H15R 7696 0.688 6.520 4.509 0.9758 1.1759 0.5955 64DPPE H15S 7697 0.583 6.654 4.466 -1.2327 0.6197 2.9730 64DPPE C216 7698 0.524 6.470 4.375 0.1944 0.2559 0.0386 64DPPE H16R 7699 0.604 6.472 4.298 -0.0924 -0.1432 -0.2728 64DPPE H16S 7700 0.430 6.504 4.327 -2.2822 -4.4999 0.9362 64DPPE H16T 7701 0.511 6.362 4.397 -1.2741 -0.1869 -2.6029 64DPPE C33 7702 1.196 6.833 6.081 0.6379 -0.4019 0.0570 64DPPE H3X 7703 1.304 6.816 6.064 1.0849 -0.2130 2.3546 64DPPE H3Y 7704 1.173 6.932 6.126 2.3178 0.0083 0.0577 64DPPE C34 7705 1.124 6.819 5.947 0.3936 -0.2983 0.1766 64DPPE H4X 7706 1.129 6.718 5.899 -0.8553 -1.1194 1.6453 64DPPE H4Y 7707 1.182 6.884 5.879 -0.4137 -0.7292 -0.9638 64DPPE C35 7708 0.982 6.875 5.949 0.4922 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0.814 6.982 5.245 -0.2376 -0.3691 -0.1237 64DPPE H11X 7727 0.743 7.038 5.181 -1.2496 -1.3939 0.0627 64DPPE H11Y 7728 0.769 6.883 5.266 1.3036 -0.5660 2.8404 64DPPE C312 7729 0.943 6.954 5.168 0.0706 -0.2235 0.3327 64DPPE H12X 7730 1.017 6.935 5.249 0.7903 -0.6199 -0.4030 64DPPE H12Y 7731 0.992 7.036 5.111 0.3362 -0.5588 0.0713 64DPPE C313 7732 0.943 6.833 5.075 0.6016 0.0476 -0.0271 64DPPE H13X 7733 0.905 6.750 5.139 1.0849 0.8376 1.3137 64DPPE H13Y 7734 1.049 6.812 5.048 0.9997 -1.4949 2.4206 64DPPE C314 7735 0.848 6.845 4.955 0.1769 0.2316 0.3264 64DPPE H14X 7736 0.748 6.882 4.987 -0.9293 -2.4027 0.1286 64DPPE H14Y 7737 0.835 6.749 4.902 -3.2195 0.9035 -0.2815 64DPPE C315 7738 0.891 6.937 4.841 0.2645 -0.3430 -0.1100 64DPPE H15X 7739 0.975 6.883 4.794 1.2546 0.8968 0.1844 64DPPE H15Y 7740 0.923 7.029 4.895 -1.4764 -0.4537 1.2148 64DPPE C316 7741 0.780 6.964 4.739 0.1050 -0.0860 0.1291 64DPPE H16X 7742 0.758 6.864 4.696 2.1976 -1.3926 1.8458 64DPPE H16Y 7743 0.809 7.037 4.661 -1.9304 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5.436 2.201 -2.8013 1.5456 0.4897 65DPPE HB 7762 0.560 5.616 2.233 0.4344 0.3627 -0.3178 65DPPE C2 7763 0.635 5.504 2.402 -0.3172 0.0107 0.6102 65DPPE HS 7764 0.711 5.576 2.441 -1.0610 2.1668 -1.6802 65DPPE O21 7765 0.673 5.368 2.429 0.4519 0.0670 -0.1294 65DPPE C21 7766 0.795 5.347 2.480 0.1459 -0.3042 0.4667 65DPPE O22 7767 0.881 5.430 2.501 -0.0907 -0.0616 0.4860 65DPPE C22 7768 0.807 5.197 2.501 0.0994 -0.3735 0.0063 65DPPE H2R 7769 0.891 5.166 2.435 -0.5432 -1.5544 -0.2959 65DPPE H2S 7770 0.721 5.142 2.457 0.6597 -0.1898 -1.4051 65DPPE C3 7771 0.499 5.531 2.468 -0.3105 0.2775 0.5142 65DPPE HX 7772 0.425 5.487 2.399 0.0005 -2.8513 1.9755 65DPPE HY 7773 0.486 5.641 2.474 1.1667 0.4143 2.1907 65DPPE O31 7774 0.489 5.484 2.603 -0.0290 -0.2739 0.3422 65DPPE C31 7775 0.558 5.560 2.687 -0.1230 0.0290 0.1447 65DPPE O32 7776 0.606 5.668 2.656 -0.2588 -0.0405 -0.3043 65DPPE C32 7777 0.578 5.499 2.825 -0.4773 -0.0370 0.1677 65DPPE H2X 7778 0.685 5.477 2.844 -0.5964 1.3458 2.9907 65DPPE H2Y 7779 0.515 5.408 2.822 -1.5003 0.6862 -1.1948 65DPPE C23 7780 0.837 5.171 2.648 -0.7453 -0.4072 0.1773 65DPPE H3R 7781 0.797 5.069 2.668 0.6382 -1.0802 -0.3375 65DPPE H3S 7782 0.767 5.234 2.708 -1.0738 -0.2491 -0.3654 65DPPE C24 7783 0.986 5.165 2.681 -0.7208 -0.1616 0.1143 65DPPE H4R 7784 1.024 5.269 2.674 -0.5169 -0.0679 2.0126 65DPPE H4S 7785 1.040 5.103 2.606 0.7176 2.2054 -0.9417 65DPPE C25 7786 1.024 5.119 2.822 0.2252 -0.5125 -0.2462 65DPPE H5R 7787 1.135 5.115 2.836 0.3198 -1.8050 -1.1510 65DPPE H5S 7788 0.984 5.016 2.833 -2.4356 0.5395 0.5710 65DPPE C26 7789 0.971 5.217 2.927 -0.5560 -0.7537 -0.4157 65DPPE H6R 7790 0.862 5.241 2.919 -0.9866 -0.6188 3.6170 65DPPE H6S 7791 1.013 5.318 2.910 -0.5540 -1.0949 -2.7905 65DPPE C27 7792 0.995 5.188 3.075 -0.0888 -0.1771 -0.3777 65DPPE H7R 7793 0.914 5.122 3.112 -1.2034 2.2446 1.8952 65DPPE H7S 7794 0.980 5.277 3.140 0.0870 -1.9634 2.2360 65DPPE C28 7795 1.132 5.134 3.118 -0.1217 0.4005 0.4801 65DPPE H8R 7796 1.215 5.197 3.079 0.4007 -0.3528 0.3555 65DPPE H8S 7797 1.143 5.032 3.076 -0.9359 -0.4717 2.3121 65DPPE C29 7798 1.140 5.128 3.271 -0.0716 -0.5972 0.4415 65DPPE H9R 7799 1.064 5.056 3.309 0.4903 -1.0248 0.7650 65DPPE H9S 7800 1.105 5.226 3.310 1.8779 -0.2923 1.5200 65DPPE C210 7801 1.277 5.090 3.327 0.2829 0.1274 0.0756 65DPPE H10R 7802 1.343 5.178 3.310 0.3536 0.1663 0.5480 65DPPE H10S 7803 1.297 5.001 3.263 -2.8451 -0.0973 -0.7451 65DPPE C211 7804 1.289 5.070 3.478 0.1357 0.4854 0.1368 65DPPE H11R 7805 1.394 5.041 3.502 0.1973 0.8298 0.2809 65DPPE H11S 7806 1.211 4.993 3.499 0.7315 -1.0224 -2.6577 65DPPE C212 7807 1.255 5.193 3.561 0.2750 0.4984 0.1753 65DPPE H12R 7808 1.147 5.219 3.563 0.2986 0.7649 -1.3443 65DPPE H12S 7809 1.313 5.273 3.511 -1.5107 -0.7663 -4.4625 65DPPE C213 7810 1.311 5.181 3.703 -0.4871 0.0098 0.4417 65DPPE H13R 7811 1.419 5.154 3.692 -0.7862 -0.1780 -3.9669 65DPPE H13S 7812 1.260 5.093 3.748 0.8062 -0.4413 1.0980 65DPPE C214 7813 1.298 5.312 3.781 0.5654 0.2403 0.2431 65DPPE H14R 7814 1.193 5.347 3.780 1.8350 4.5574 -0.1220 65DPPE H14S 7815 1.350 5.400 3.738 -0.4630 1.7384 1.9591 65DPPE C215 7816 1.349 5.313 3.925 0.3723 -0.2481 0.3157 65DPPE H15R 7817 1.451 5.269 3.918 0.7387 0.5633 0.5213 65DPPE H15S 7818 1.288 5.237 3.979 -0.1360 -0.4675 -0.5558 65DPPE C216 7819 1.360 5.446 4.000 0.1194 -0.2862 0.4220 65DPPE H16R 7820 1.430 5.515 3.949 0.5390 -0.9792 0.0316 65DPPE H16S 7821 1.399 5.417 4.100 0.1167 -2.7209 -0.2228 65DPPE H16T 7822 1.264 5.501 4.002 0.5122 0.3714 1.4703 65DPPE C33 7823 0.507 5.577 2.936 0.6357 0.6325 0.4282 65DPPE H3X 7824 0.408 5.622 2.912 0.6854 0.4153 -0.2204 65DPPE H3Y 7825 0.567 5.666 2.964 -0.6127 0.9174 2.3999 65DPPE C34 7826 0.487 5.506 3.070 0.8560 -0.5184 -0.1299 65DPPE H4X 7827 0.454 5.401 3.057 5.0020 -1.9360 -0.5380 65DPPE H4Y 7828 0.403 5.562 3.118 1.0311 1.5124 -2.0074 65DPPE C35 7829 0.604 5.540 3.162 0.2656 0.5386 0.2517 65DPPE H5X 7830 0.617 5.650 3.172 0.4085 0.5966 -0.5320 65DPPE H5Y 7831 0.699 5.491 3.135 0.0132 0.5273 -0.6355 65DPPE C36 7832 0.575 5.482 3.301 0.0750 0.1534 0.0530 65DPPE H6X 7833 0.572 5.371 3.297 0.4902 0.0859 1.2718 65DPPE H6Y 7834 0.478 5.520 3.340 0.1398 1.4437 -0.9759 65DPPE C37 7835 0.679 5.519 3.407 -0.1860 0.1519 0.3097 65DPPE H7X 7836 0.673 5.628 3.427 0.8495 -0.1240 2.4248 65DPPE H7Y 7837 0.775 5.499 3.354 -0.6107 -1.2508 0.0181 65DPPE C38 7838 0.677 5.437 3.536 0.3536 0.1835 0.3396 65DPPE H8X 7839 0.761 5.463 3.604 1.4785 3.1242 -1.9882 65DPPE H8Y 7840 0.679 5.334 3.494 -0.9714 0.5741 -0.7413 65DPPE C39 7841 0.551 5.459 3.620 0.1008 0.4513 -0.1049 65DPPE H9X 7842 0.479 5.417 3.547 -0.6356 -1.6056 1.6679 65DPPE H9Y 7843 0.540 5.567 3.640 -2.0808 -0.0368 1.7814 65DPPE C310 7844 0.543 5.385 3.754 0.2003 -0.2816 -0.4957 65DPPE H10X 7845 0.601 5.434 3.835 0.5262 -0.1900 -0.7825 65DPPE H10Y 7846 0.594 5.288 3.734 0.0824 0.1483 -3.1899 65DPPE C311 7847 0.396 5.366 3.792 0.2640 0.2226 0.0264 65DPPE H11X 7848 0.348 5.305 3.712 1.1265 -1.4700 0.7345 65DPPE H11Y 7849 0.362 5.471 3.783 0.1976 0.6425 3.8576 65DPPE C312 7850 0.381 5.309 3.933 -0.5288 0.1522 -0.0805 65DPPE H12X 7851 0.274 5.283 3.941 -0.3124 -1.0311 -0.8367 65DPPE H12Y 7852 0.413 5.399 3.989 -1.9796 -0.3268 1.5798 65DPPE C313 7853 0.468 5.191 3.978 -0.1549 0.3813 -0.1930 65DPPE H13X 7854 0.499 5.224 4.080 2.1955 0.5403 -0.9162 65DPPE H13Y 7855 0.566 5.189 3.927 0.5049 -1.3490 1.0280 65DPPE C314 7856 0.407 5.051 3.975 0.1019 0.2726 -0.3600 65DPPE H14X 7857 0.473 4.965 3.999 0.7724 0.8140 -0.2584 65DPPE H14Y 7858 0.369 5.035 3.872 0.5866 -0.7078 -0.4016 65DPPE C315 7859 0.278 5.027 4.054 0.3606 0.2838 0.0654 65DPPE H15X 7860 0.279 4.916 4.066 -0.2514 0.2987 0.3163 65DPPE H15Y 7861 0.190 5.049 3.991 -0.7244 3.4626 2.4091 65DPPE C316 7862 0.274 5.106 4.185 -0.2876 0.0087 0.2159 65DPPE H16X 7863 0.367 5.091 4.245 -0.1856 0.7775 0.2650 65DPPE H16Y 7864 0.178 5.078 4.233 -0.9972 -1.3784 -1.8678 65DPPE H16Z 7865 0.253 5.214 4.172 -2.0839 -0.0933 1.7875 66DPPE N 7866 1.503 4.299 2.017 -0.9115 -0.2081 -0.3017 66DPPE HN1 7867 1.501 4.403 2.017 -0.5894 -0.1891 0.5862 66DPPE HN2 7868 1.435 4.255 1.952 0.2509 -0.0295 -1.6867 66DPPE HN3 7869 1.501 4.272 2.118 -2.2141 3.1575 0.7117 66DPPE C12 7870 1.635 4.264 1.952 -0.4275 0.5126 0.2651 66DPPE H12A 7871 1.627 4.154 1.934 0.7560 0.6339 -1.1873 66DPPE H12B 7872 1.652 4.319 1.857 0.9720 0.9119 0.7210 66DPPE C11 7873 1.742 4.307 2.052 0.2139 -0.1052 -0.1451 66DPPE H11A 7874 1.739 4.418 2.052 -1.0209 -0.1103 1.2018 66DPPE H11B 7875 1.846 4.297 2.014 0.2105 0.9365 -0.4593 66DPPE P 7876 1.816 4.133 2.224 0.0543 -0.1571 0.2578 66DPPE O13 7877 1.897 4.084 2.110 -0.1633 0.6514 -0.2487 66DPPE O14 7878 1.710 4.034 2.257 -0.2319 0.1456 0.2544 66DPPE O11 7879 1.899 4.180 2.352 0.5940 0.0866 -0.1829 66DPPE O12 7880 1.726 4.260 2.186 -0.2123 -0.5208 -0.3405 66DPPE C1 7881 1.944 4.315 2.369 -0.1114 0.3454 -0.3637 66DPPE HA 7882 1.911 4.377 2.283 -0.0639 1.6318 0.5143 66DPPE HB 7883 2.054 4.305 2.355 -0.1721 0.3262 -0.8582 66DPPE C2 7884 1.901 4.383 2.500 -0.2297 -0.5785 0.0819 66DPPE HS 7885 1.961 4.474 2.521 -1.5585 0.5795 -0.9825 66DPPE O21 7886 1.905 4.290 2.610 0.1487 -0.1245 0.4564 66DPPE C21 7887 2.033 4.278 2.644 0.3167 0.1417 -0.0661 66DPPE O22 7888 2.124 4.341 2.592 0.5758 -0.4713 -0.3626 66DPPE C22 7889 2.053 4.179 2.757 0.2094 0.3501 0.1366 66DPPE H2R 7890 2.141 4.122 2.721 -0.9710 -2.1538 0.9575 66DPPE H2S 7891 1.966 4.111 2.771 1.3375 -1.2085 -0.1751 66DPPE C3 7892 1.754 4.428 2.493 0.0984 0.4391 -0.3081 66DPPE HX 7893 1.690 4.338 2.488 0.6712 -0.0056 0.1791 66DPPE HY 7894 1.747 4.484 2.397 -1.6061 -1.3589 -1.2909 66DPPE O31 7895 1.713 4.507 2.605 0.1911 -0.2295 0.2005 66DPPE C31 7896 1.755 4.633 2.613 0.1660 -0.2332 0.4008 66DPPE O32 7897 1.817 4.691 2.525 0.1200 -0.4111 0.2506 66DPPE C32 7898 1.722 4.689 2.750 0.1129 -0.2942 0.4126 66DPPE H2X 7899 1.700 4.601 2.815 -0.7013 0.9274 1.8542 66DPPE H2Y 7900 1.637 4.759 2.736 1.8147 1.7453 -0.2760 66DPPE C23 7901 2.076 4.257 2.887 -0.2592 -0.1750 0.5424 66DPPE H3R 7902 1.989 4.327 2.883 0.7669 1.1013 -2.6330 66DPPE H3S 7903 2.167 4.319 2.871 -0.3341 0.1994 1.5249 66DPPE C24 7904 2.119 4.178 3.010 -0.1317 0.2855 0.7957 66DPPE H4R 7905 2.146 4.252 3.088 2.3979 -0.4798 0.7318 66DPPE H4S 7906 2.210 4.119 2.988 0.5919 1.7035 -0.0805 66DPPE C25 7907 2.006 4.086 3.059 0.1033 -0.5794 -0.2413 66DPPE H5R 7908 1.966 4.030 2.972 -2.8175 0.4396 0.3429 66DPPE H5S 7909 1.927 4.163 3.076 0.3480 -0.8608 2.6356 66DPPE C26 7910 2.043 4.002 3.181 0.2511 -0.0979 0.0511 66DPPE H6R 7911 2.111 3.922 3.145 0.9736 1.1788 -1.5416 66DPPE H6S 7912 1.949 3.950 3.209 -0.1716 -0.3994 -1.7777 66DPPE C27 7913 2.096 4.078 3.303 -0.3485 0.2584 0.0953 66DPPE H7R 7914 2.185 4.132 3.264 0.8973 -1.9318 -0.2877 66DPPE H7S 7915 2.130 4.004 3.378 0.4349 -0.1563 -0.6534 66DPPE C28 7916 2.009 4.188 3.364 -0.5863 0.0620 0.1109 66DPPE H8R 7917 1.913 4.142 3.396 -2.1561 0.2305 -3.8262 66DPPE H8S 7918 1.972 4.268 3.298 -0.4326 1.2265 1.3877 66DPPE C29 7919 2.071 4.251 3.489 0.4685 0.6960 -0.7125 66DPPE H9R 7920 1.993 4.314 3.536 1.1397 0.6428 0.5122 66DPPE H9S 7921 2.159 4.306 3.451 0.8027 0.7507 0.1052 66DPPE C210 7922 2.121 4.150 3.593 -0.1089 0.3910 -0.7239 66DPPE H10R 7923 2.213 4.098 3.557 0.8022 2.4212 -1.4695 66DPPE H10S 7924 2.043 4.074 3.613 -1.1658 1.4872 -0.5845 66DPPE C211 7925 2.174 4.228 3.713 0.3406 0.2282 -0.8115 66DPPE H11R 7926 2.081 4.269 3.758 0.0688 0.6223 -1.7139 66DPPE H11S 7927 2.238 4.309 3.671 0.4012 -0.0078 -1.1698 66DPPE C212 7928 2.251 4.147 3.817 -1.1754 0.5188 0.5923 66DPPE H12R 7929 2.335 4.096 3.765 -1.2604 0.2788 0.6908 66DPPE H12S 7930 2.198 4.062 3.865 -1.5912 -0.8098 -2.0199 66DPPE C213 7931 2.313 4.228 3.931 -0.1098 0.3906 0.1179 66DPPE H13R 7932 2.249 4.316 3.948 -1.4830 -0.0248 -2.4077 66DPPE H13S 7933 2.403 4.276 3.888 -0.1278 1.8441 1.5929 66DPPE C214 7934 2.362 4.158 4.059 -0.4884 0.1166 0.1161 66DPPE H14R 7935 2.422 4.072 4.022 -1.1404 -0.9106 1.3968 66DPPE H14S 7936 2.284 4.118 4.127 -0.5089 0.5725 0.3643 66DPPE C215 7937 2.458 4.246 4.139 -0.1254 0.3714 -0.5821 66DPPE H15R 7938 2.547 4.286 4.087 -0.8662 1.7459 -0.8413 66DPPE H15S 7939 2.511 4.185 4.216 0.1360 0.5403 -0.6289 66DPPE C216 7940 2.400 4.369 4.210 0.1334 0.0670 0.1752 66DPPE H16R 7941 2.329 4.323 4.282 0.1267 0.8551 0.6748 66DPPE H16S 7942 2.350 4.438 4.139 -1.2885 -1.8676 -0.8336 66DPPE H16T 7943 2.479 4.424 4.265 0.6973 -0.9783 0.4583 66DPPE C33 7944 1.835 4.772 2.810 0.0293 0.1054 0.0127 66DPPE H3X 7945 1.797 4.838 2.891 -1.2041 0.9505 -1.1989 66DPPE H3Y 7946 1.868 4.832 2.722 -1.9255 1.9999 0.4880 66DPPE C34 7947 1.958 4.701 2.866 -0.0893 -0.1748 -0.0841 66DPPE H4X 7948 2.032 4.782 2.880 -0.6789 0.2574 0.5834 66DPPE H4Y 7949 1.995 4.633 2.785 0.9020 0.5011 -0.2233 66DPPE C35 7950 1.934 4.620 2.994 -0.2952 -0.1413 -0.1024 66DPPE H5X 7951 2.022 4.559 3.021 -0.2079 -1.5838 -3.2304 66DPPE H5Y 7952 1.866 4.537 2.964 0.0678 -0.1756 -0.8711 66DPPE C36 7953 1.883 4.691 3.119 -0.4163 0.0266 -0.2455 66DPPE H6X 7954 1.790 4.747 3.094 -1.5327 -1.1028 1.1036 66DPPE H6Y 7955 1.961 4.764 3.149 -0.2819 -0.3077 0.2298 66DPPE C37 7956 1.836 4.592 3.226 -0.1168 0.0352 -0.1059 66DPPE H7X 7957 1.790 4.506 3.174 2.2680 0.8585 -3.9307 66DPPE H7Y 7958 1.760 4.641 3.291 -1.6446 1.3105 -2.7217 66DPPE C38 7959 1.949 4.546 3.319 -0.6523 -0.5594 0.2613 66DPPE H8X 7960 2.043 4.511 3.272 -0.1606 2.1647 -1.0060 66DPPE H8Y 7961 1.899 4.461 3.370 -3.0437 1.0691 0.8424 66DPPE C39 7962 1.977 4.659 3.419 0.1520 -0.0294 -0.5480 66DPPE H9X 7963 1.879 4.696 3.456 -0.3530 -0.2005 -1.6687 66DPPE H9Y 7964 2.023 4.745 3.366 -2.3363 3.3001 2.2755 66DPPE C310 7965 2.071 4.609 3.529 0.0704 0.5255 -0.2272 66DPPE H10X 7966 2.151 4.552 3.478 0.3065 1.4049 -0.8649 66DPPE H10Y 7967 2.005 4.543 3.590 -2.1178 0.7055 -2.2361 66DPPE C311 7968 2.135 4.723 3.609 -0.0144 0.1229 0.4256 66DPPE H11X 7969 2.054 4.784 3.655 0.7601 0.3602 1.5199 66DPPE H11Y 7970 2.195 4.784 3.538 2.2055 -2.9394 -0.5017 66DPPE C312 7971 2.222 4.668 3.722 0.9342 0.1120 -0.2994 66DPPE H12X 7972 2.329 4.694 3.708 1.3829 -1.1908 0.5665 66DPPE H12Y 7973 2.221 4.559 3.740 -1.1531 -0.0644 -1.1913 66DPPE C313 7974 2.179 4.727 3.856 -0.6423 -0.9152 -0.3230 66DPPE H13X 7975 2.072 4.703 3.875 -0.4570 -2.3575 -0.9573 66DPPE H13Y 7976 2.181 4.838 3.844 -0.7421 -0.7205 1.2095 66DPPE C314 7977 2.273 4.690 3.971 0.2214 -0.3306 -0.8309 66DPPE H14X 7978 2.378 4.695 3.933 -0.1613 -1.5617 -2.1283 66DPPE H14Y 7979 2.251 4.588 4.008 1.0710 0.1648 1.1959 66DPPE C315 7980 2.251 4.781 4.093 0.2913 -0.7448 -0.5076 66DPPE H15X 7981 2.262 4.888 4.065 3.4279 -0.4078 1.5562 66DPPE H15Y 7982 2.338 4.773 4.161 0.3263 1.5649 -0.2202 66DPPE C316 7983 2.113 4.760 4.155 0.3478 -0.0240 -0.1271 66DPPE H16X 7984 2.098 4.652 4.179 1.1781 -0.0861 0.1305 66DPPE H16Y 7985 2.021 4.790 4.100 -1.8209 -0.3381 3.0499 66DPPE H16Z 7986 2.115 4.812 4.253 0.8108 -1.3626 0.6025 67DPPE N 7987 1.637 5.047 2.145 0.4196 0.7739 0.4621 67DPPE HN1 7988 1.556 5.109 2.168 0.8802 1.9345 -0.9001 67DPPE HN2 7989 1.699 5.116 2.098 0.0838 1.1221 0.5305 67DPPE HN3 7990 1.600 4.988 2.068 -1.4247 1.2587 0.9165 67DPPE C12 7991 1.664 4.944 2.252 0.7102 0.3002 -0.0568 67DPPE H12A 7992 1.753 4.884 2.228 0.9556 0.7197 -0.2009 67DPPE H12B 7993 1.692 4.998 2.345 -2.4380 -1.0641 1.8750 67DPPE C11 7994 1.544 4.854 2.284 0.7840 0.0725 -0.4277 67DPPE H11A 7995 1.463 4.922 2.316 -0.0139 0.1381 -2.4209 67DPPE H11B 7996 1.578 4.790 2.369 1.9517 1.2826 0.0576 67DPPE P 7997 1.522 4.623 2.183 0.0412 -0.0408 -0.4663 67DPPE O13 7998 1.666 4.604 2.157 0.0916 -0.1855 -0.0916 67DPPE O14 7999 1.429 4.557 2.089 -0.2939 -0.2585 0.0168 67DPPE O11 8000 1.483 4.587 2.334 0.3629 -0.0365 -0.3809 67DPPE O12 8001 1.493 4.780 2.173 0.3150 0.0298 -0.1844 67DPPE C1 8002 1.389 4.480 2.352 -0.2975 0.6157 0.0891 67DPPE HA 8003 1.380 4.447 2.458 -0.3216 -0.8987 -0.3604 67DPPE HB 8004 1.414 4.390 2.293 -2.3190 1.3389 -2.0224 67DPPE C2 8005 1.243 4.522 2.329 -0.5377 -0.1393 0.2165 67DPPE HS 8006 1.234 4.557 2.224 -2.0994 -0.6345 0.1576 67DPPE O21 8007 1.219 4.634 2.415 0.7983 0.5512 -0.2864 67DPPE C21 8008 1.117 4.713 2.383 0.3389 -0.0201 -0.2567 67DPPE O22 8009 1.059 4.707 2.275 -0.0150 0.2480 -0.0844 67DPPE C22 8010 1.089 4.806 2.500 0.2193 0.1081 -0.3863 67DPPE H2R 8011 0.979 4.813 2.505 0.1529 -0.0200 -1.4948 67DPPE H2S 8012 1.123 4.910 2.479 1.1180 0.2418 1.4521 67DPPE C3 8013 1.134 4.417 2.359 -0.1208 -0.5401 0.3339 67DPPE HX 8014 1.156 4.341 2.280 -1.2291 -2.8350 2.1211 67DPPE HY 8015 1.037 4.467 2.339 1.6333 3.2859 0.4167 67DPPE O31 8016 1.150 4.367 2.492 -0.2741 -0.3564 0.4215 67DPPE C31 8017 1.064 4.267 2.512 -0.0113 -0.5898 0.3985 67DPPE O32 8018 0.964 4.246 2.444 0.0784 0.8134 -0.2076 67DPPE C32 8019 1.095 4.198 2.644 -0.0211 -0.4222 0.4887 67DPPE H2X 8020 1.196 4.152 2.644 -0.2037 -0.8243 0.3930 67DPPE H2Y 8021 1.026 4.112 2.653 -1.4850 0.2902 -2.5866 67DPPE C23 8022 1.142 4.765 2.638 0.3443 -0.1138 -0.4986 67DPPE H3R 8023 1.112 4.665 2.674 0.0845 0.2379 0.2966 67DPPE H3S 8024 1.087 4.833 2.708 0.2947 -0.5817 -0.0779 67DPPE C24 8025 1.292 4.785 2.657 0.3581 -0.7582 0.0810 67DPPE H4R 8026 1.313 4.890 2.629 2.0742 -0.4440 2.2534 67DPPE H4S 8027 1.358 4.715 2.602 -0.3850 -1.0946 -0.3950 67DPPE C25 8028 1.327 4.769 2.806 0.6283 -0.7152 0.0221 67DPPE H5R 8029 1.274 4.857 2.847 -0.9025 -0.7893 -1.6735 67DPPE H5S 8030 1.434 4.795 2.821 0.6582 -0.8249 0.0000 67DPPE C26 8031 1.296 4.634 2.871 0.0468 -0.4864 0.2211 67DPPE H6R 8032 1.316 4.563 2.788 1.0143 0.3827 -0.3139 67DPPE H6S 8033 1.189 4.638 2.901 0.5194 0.9060 1.8776 67DPPE C27 8034 1.380 4.609 2.996 0.3581 -0.0929 0.0910 67DPPE H7R 8035 1.483 4.584 2.963 0.4727 0.9786 -0.4263 67DPPE H7S 8036 1.343 4.511 3.032 1.0882 -0.2775 0.3576 67DPPE C28 8037 1.371 4.702 3.117 0.0214 0.7230 -0.5511 67DPPE H8R 8038 1.263 4.708 3.146 0.1657 0.7611 -0.0132 67DPPE H8S 8039 1.408 4.804 3.094 1.8695 -0.0484 -1.1327 67DPPE C29 8040 1.460 4.652 3.231 -0.0857 0.4874 -0.5688 67DPPE H9R 8041 1.563 4.654 3.188 0.8362 -0.7170 1.4321 67DPPE H9S 8042 1.444 4.545 3.254 1.0453 -0.1401 -2.4168 67DPPE C210 8043 1.457 4.746 3.351 0.8109 -0.1205 -0.0575 67DPPE H10R 8044 1.348 4.765 3.364 0.3716 -1.9623 -0.7426 67DPPE H10S 8045 1.517 4.831 3.312 -1.1594 0.8131 -1.2162 67DPPE C211 8046 1.503 4.670 3.476 0.1217 -0.1429 0.1890 67DPPE H11R 8047 1.609 4.638 3.464 0.3348 0.1453 1.2631 67DPPE H11S 8048 1.435 4.584 3.497 0.3366 0.1200 2.0811 67DPPE C212 8049 1.502 4.760 3.599 -0.1415 0.1194 -0.0030 67DPPE H12R 8050 1.398 4.799 3.595 0.1068 0.7412 -3.7697 67DPPE H12S 8051 1.575 4.839 3.571 -0.0893 -0.7686 -2.5884 67DPPE C213 8052 1.523 4.674 3.724 -0.0410 -0.1449 -0.2009 67DPPE H13R 8053 1.633 4.656 3.719 -0.0309 -0.3272 0.6409 67DPPE H13S 8054 1.469 4.578 3.719 0.6298 -0.4694 -2.8730 67DPPE C214 8055 1.490 4.755 3.850 -0.1785 -0.4336 -0.0517 67DPPE H14R 8056 1.579 4.817 3.871 -1.7813 1.8886 0.2823 67DPPE H14S 8057 1.470 4.682 3.932 -2.4807 1.0494 0.7941 67DPPE C215 8058 1.370 4.849 3.840 -0.0077 -0.2193 -0.0747 67DPPE H15R 8059 1.288 4.783 3.806 1.8715 -2.7473 0.0627 67DPPE H15S 8060 1.387 4.932 3.768 0.4009 0.1643 0.4472 67DPPE C216 8061 1.337 4.918 3.973 -0.3429 -0.2977 -0.1181 67DPPE H16R 8062 1.409 5.000 3.986 -0.8851 -0.0366 1.4384 67DPPE H16S 8063 1.336 4.845 4.057 0.2592 1.3863 1.3906 67DPPE H16T 8064 1.238 4.968 3.966 0.5767 1.5211 -0.5447 67DPPE C33 8065 1.078 4.295 2.761 0.3446 0.2825 -0.0296 67DPPE H3X 8066 0.969 4.313 2.772 -0.1889 -1.7668 -1.4678 67DPPE H3Y 8067 1.141 4.385 2.744 1.9551 -0.8829 -0.3676 67DPPE C34 8068 1.123 4.232 2.893 -0.2234 -0.1247 -0.0255 67DPPE H4X 8069 1.230 4.203 2.896 -0.7165 -2.0218 0.6974 67DPPE H4Y 8070 1.071 4.135 2.902 2.4673 -1.6784 -0.2414 67DPPE C35 8071 1.074 4.297 3.023 -0.2730 -0.3640 0.0757 67DPPE H5X 8072 0.973 4.336 2.998 0.1769 0.1769 -0.9946 67DPPE H5Y 8073 1.123 4.394 3.046 -0.9215 -0.2769 1.1547 67DPPE C36 8074 1.061 4.213 3.150 -0.2181 0.1156 0.3991 67DPPE H6X 8075 1.052 4.111 3.108 -2.1937 0.9319 -1.3357 67DPPE H6Y 8076 0.975 4.247 3.213 0.6573 -1.8028 2.7711 67DPPE C37 8077 1.184 4.211 3.241 0.1781 0.3178 -0.1288 67DPPE H7X 8078 1.193 4.310 3.292 0.4170 0.4919 -0.5008 67DPPE H7Y 8079 1.278 4.199 3.184 1.4271 1.6598 1.5206 67DPPE C38 8080 1.172 4.097 3.342 -0.0584 0.0513 -0.4558 67DPPE H8X 8081 1.231 4.013 3.300 -0.9736 -0.5859 -0.4969 67DPPE H8Y 8082 1.068 4.059 3.354 0.1722 -0.7758 -0.9972 67DPPE C39 8083 1.214 4.130 3.486 0.3155 -0.1174 -0.5248 67DPPE H9X 8084 1.171 4.226 3.522 -0.5910 -0.8765 0.4824 67DPPE H9Y 8085 1.324 4.137 3.499 0.7385 -1.3764 -2.8745 67DPPE C310 8086 1.172 4.027 3.591 0.0827 0.5550 0.0472 67DPPE H10X 8087 1.213 3.933 3.549 0.5263 1.0294 -0.5979 67DPPE H10Y 8088 1.062 4.009 3.594 0.0544 0.8610 2.4777 67DPPE C311 8089 1.224 4.056 3.732 -0.2106 -0.0008 0.2744 67DPPE H11X 8090 1.171 4.147 3.765 -0.5183 0.8039 -2.1916 67DPPE H11Y 8091 1.332 4.079 3.723 -0.6799 2.2999 -0.0838 67DPPE C312 8092 1.205 3.938 3.827 -0.1309 -0.1544 0.1029 67DPPE H12X 8093 1.281 3.859 3.811 1.8027 1.7576 -0.5737 67DPPE H12Y 8094 1.107 3.888 3.813 -0.1148 -0.2733 0.4127 67DPPE C313 8095 1.191 3.982 3.973 0.4799 -0.3581 0.2259 67DPPE H13X 8096 1.131 4.075 3.979 -0.5268 -1.0502 1.5809 67DPPE H13Y 8097 1.285 4.032 4.006 0.4146 0.1648 -0.3700 67DPPE C314 8098 1.123 3.886 4.072 -0.6201 0.0620 -0.1057 67DPPE H14X 8099 1.051 3.832 4.007 0.1099 0.2805 -1.1422 67DPPE H14Y 8100 1.070 3.947 4.148 -0.4874 -0.9744 0.8326 67DPPE C315 8101 1.223 3.793 4.139 -0.5383 0.4699 0.3460 67DPPE H15X 8102 1.314 3.844 4.177 -0.2825 -1.1812 2.1416 67DPPE H15Y 8103 1.248 3.709 4.070 2.7451 0.5936 1.2096 67DPPE C316 8104 1.169 3.720 4.262 -0.1869 0.5907 0.5746 67DPPE H16X 8105 1.061 3.704 4.243 0.5543 -1.0533 -2.8840 67DPPE H16Y 8106 1.190 3.782 4.353 -0.5686 -2.1591 2.6579 67DPPE H16Z 8107 1.224 3.624 4.270 -1.0094 0.2394 3.0255 68DPPE N 8108 5.593 4.652 1.950 0.5035 0.4772 0.0217 68DPPE HN1 8109 5.546 4.742 1.931 0.3340 0.3287 -0.2781 68DPPE HN2 8110 5.672 4.647 1.883 2.7136 0.6111 2.4495 68DPPE HN3 8111 5.529 4.570 1.937 -1.6235 1.4467 3.0810 68DPPE C12 8112 5.640 4.663 2.093 -0.3286 0.4863 0.3006 68DPPE H12A 8113 5.704 4.752 2.074 -0.4204 0.1219 -1.9871 68DPPE H12B 8114 5.697 4.572 2.121 0.1742 0.2727 -1.3173 68DPPE C11 8115 5.523 4.705 2.182 -0.3084 0.6684 0.2433 68DPPE H11A 8116 5.492 4.809 2.160 -1.3745 0.2617 -0.2700 68DPPE H11B 8117 5.554 4.709 2.289 -1.8037 -0.8657 0.7918 68DPPE P 8118 5.308 4.631 2.280 0.3047 -0.3459 -0.2032 68DPPE O13 8119 5.189 4.548 2.250 0.1187 -0.0160 -0.3927 68DPPE O14 8120 5.280 4.775 2.296 0.5515 -0.3505 0.2587 68DPPE O11 8121 5.392 4.570 2.402 1.0326 -0.2879 -0.6652 68DPPE O12 8122 5.416 4.612 2.163 -0.0009 0.4882 -0.6301 68DPPE C1 8123 5.434 4.434 2.397 1.0310 -0.3425 0.5619 68DPPE HA 8124 5.544 4.433 2.418 0.7946 -0.7643 1.8744 68DPPE HB 8125 5.421 4.392 2.295 0.0562 -1.7252 1.2216 68DPPE C2 8126 5.347 4.349 2.491 0.3323 -0.0170 0.2145 68DPPE HS 8127 5.239 4.374 2.491 -0.6197 -3.2646 -2.6834 68DPPE O21 8128 5.406 4.372 2.619 0.0828 0.6492 0.2136 68DPPE C21 8129 5.313 4.360 2.715 -0.0163 -0.7303 -0.0399 68DPPE O22 8130 5.192 4.356 2.700 0.0626 -0.5509 -0.8068 68DPPE C22 8131 5.399 4.345 2.840 0.5217 -0.2259 -0.3445 68DPPE H2R 8132 5.442 4.440 2.877 0.5146 -0.6113 0.6891 68DPPE H2S 8133 5.484 4.277 2.820 0.9122 0.7609 -2.3372 68DPPE C3 8134 5.368 4.205 2.442 -0.0924 0.1032 -0.3195 68DPPE HX 8135 5.475 4.179 2.449 -0.1026 0.2051 0.2663 68DPPE HY 8136 5.330 4.194 2.337 -0.0541 -2.3556 -0.1486 68DPPE O31 8137 5.287 4.117 2.520 -0.2004 0.0462 -0.4945 68DPPE C31 8138 5.322 3.988 2.517 -0.6149 -0.0845 -0.0006 68DPPE O32 8139 5.420 3.935 2.467 -0.5371 0.2041 -0.1586 68DPPE C32 8140 5.214 3.913 2.593 -0.3410 0.0154 0.4915 68DPPE H2X 8141 5.213 3.807 2.562 0.9738 0.0225 0.3700 68DPPE H2Y 8142 5.118 3.969 2.585 -0.7572 -0.6729 0.6257 68DPPE C23 8143 5.315 4.300 2.959 0.1476 1.0743 -0.0992 68DPPE H3R 8144 5.284 4.196 2.934 -0.1311 1.1920 -0.2466 68DPPE H3S 8145 5.216 4.350 2.966 -1.4320 -1.3274 -2.9949 68DPPE C24 8146 5.396 4.312 3.088 -0.0225 0.3733 0.0756 68DPPE H4R 8147 5.427 4.418 3.081 1.3522 -0.0582 -0.8595 68DPPE H4S 8148 5.478 4.239 3.070 -1.4384 -1.5062 0.7727 68DPPE C25 8149 5.317 4.288 3.217 -0.1034 -0.2396 -0.0830 68DPPE H5R 8150 5.280 4.183 3.216 -3.0954 0.7206 0.1910 68DPPE H5S 8151 5.226 4.351 3.223 -0.9449 -1.4926 0.6638 68DPPE C26 8152 5.405 4.308 3.341 -0.1166 -0.3874 -0.0495 68DPPE H6R 8153 5.460 4.403 3.323 -1.4628 0.2019 -1.2559 68DPPE H6S 8154 5.475 4.223 3.355 0.0270 -0.0595 1.3938 68DPPE C27 8155 5.319 4.325 3.467 -0.1545 0.3869 -0.1790 68DPPE H7R 8156 5.233 4.259 3.445 -0.7781 1.0087 0.3293 68DPPE H7S 8157 5.267 4.422 3.452 -1.6557 -0.6081 -1.8644 68DPPE C28 8158 5.393 4.311 3.599 0.2837 -0.0584 -0.4698 68DPPE H8R 8159 5.457 4.399 3.622 -1.2106 0.5166 1.8425 68DPPE H8S 8160 5.460 4.223 3.585 2.4402 1.5298 -0.6503 68DPPE C29 8161 5.301 4.312 3.721 0.9016 0.4122 -0.0005 68DPPE H9R 8162 5.368 4.268 3.798 0.2665 -1.5085 -0.4813 68DPPE H9S 8163 5.213 4.248 3.701 0.0248 1.2863 0.9090 68DPPE C210 8164 5.260 4.451 3.772 0.4942 0.1958 0.2710 68DPPE H10R 8165 5.213 4.504 3.687 -1.4023 0.2053 1.2780 68DPPE H10S 8166 5.358 4.499 3.796 0.9841 -0.4941 -0.3009 68DPPE C211 8167 5.154 4.448 3.882 0.0581 -0.4995 -0.1615 68DPPE H11R 8168 5.062 4.402 3.840 0.7184 -2.9270 0.8754 68DPPE H11S 8169 5.134 4.555 3.904 -2.0922 -0.9272 0.1736 68DPPE C212 8170 5.190 4.380 4.015 -0.3176 -0.6197 -0.1196 68DPPE H12R 8171 5.279 4.437 4.048 -2.3393 2.6182 0.1474 68DPPE H12S 8172 5.211 4.271 4.005 -1.0120 -0.8448 0.7543 68DPPE C213 8173 5.085 4.401 4.124 -0.8841 -0.8495 -0.6138 68DPPE H13R 8174 4.996 4.342 4.094 -0.1262 -1.1609 -2.3876 68DPPE H13S 8175 5.058 4.508 4.130 2.2381 -0.0164 1.4157 68DPPE C214 8176 5.121 4.354 4.265 0.7763 0.3765 -0.6041 68DPPE H14R 8177 5.177 4.258 4.257 1.6467 0.8066 0.0735 68DPPE H14S 8178 5.026 4.322 4.312 -1.8604 3.0037 -3.6835 68DPPE C215 8179 5.194 4.448 4.361 -0.3960 0.3672 0.3173 68DPPE H15R 8180 5.133 4.541 4.360 0.5406 1.0127 0.9214 68DPPE H15S 8181 5.295 4.475 4.322 0.0758 2.2077 2.5740 68DPPE C216 8182 5.199 4.402 4.506 -0.1855 0.7230 0.4257 68DPPE H16R 8183 5.193 4.489 4.575 -2.6209 0.9702 -0.0298 68DPPE H16S 8184 5.294 4.345 4.518 -0.6911 -0.6286 -1.5059 68DPPE H16T 8185 5.114 4.337 4.536 -1.5018 2.5773 0.8869 68DPPE C33 8186 5.254 3.913 2.741 0.5011 0.4163 0.2665 68DPPE H3X 8187 5.164 3.875 2.792 2.8363 -2.6320 2.4928 68DPPE H3Y 8188 5.269 4.017 2.776 0.6064 -0.0834 1.7411 68DPPE C34 8189 5.372 3.823 2.780 -0.0073 -0.4957 -0.2678 68DPPE H4X 8190 5.449 3.842 2.702 1.8926 -0.6675 1.4818 68DPPE H4Y 8191 5.343 3.716 2.771 0.0667 -0.7021 1.6127 68DPPE C35 8192 5.423 3.849 2.921 -0.5924 0.7853 -0.2754 68DPPE H5X 8193 5.485 3.942 2.922 0.6714 -0.0409 0.0279 68DPPE H5Y 8194 5.480 3.761 2.958 -0.9754 1.6233 2.5579 68DPPE C36 8195 5.307 3.858 3.020 -0.5135 0.5728 -0.1639 68DPPE H6X 8196 5.241 3.774 2.988 0.8742 -0.7017 0.2284 68DPPE H6Y 8197 5.251 3.952 3.039 0.6499 0.7816 2.7852 68DPPE C37 8198 5.347 3.826 3.164 0.0956 -0.0026 -0.4559 68DPPE H7X 8199 5.426 3.898 3.194 -0.0462 1.5192 -3.3374 68DPPE H7Y 8200 5.400 3.728 3.170 3.0458 1.5491 1.1427 68DPPE C38 8201 5.222 3.829 3.251 0.2936 0.2784 -0.1788 68DPPE H8X 8202 5.150 3.745 3.239 0.1653 0.4818 -0.8834 68DPPE H8Y 8203 5.167 3.910 3.198 -0.7400 -0.6519 -0.5745 68DPPE C39 8204 5.242 3.863 3.399 -0.7922 0.1177 0.0144 68DPPE H9X 8205 5.292 3.961 3.411 2.1417 -1.5577 3.4545 68DPPE H9Y 8206 5.314 3.788 3.439 0.3989 0.8430 -0.7417 68DPPE C310 8207 5.117 3.842 3.485 -0.5850 0.4878 0.4092 68DPPE H10X 8208 5.089 3.734 3.482 -2.0361 0.8592 -0.3455 68DPPE H10Y 8209 5.035 3.905 3.445 0.6104 2.5449 1.0693 68DPPE C311 8210 5.155 3.871 3.630 0.2086 0.7642 0.1490 68DPPE H11X 8211 5.206 3.969 3.641 2.0008 -0.0273 -0.7244 68DPPE H11Y 8212 5.229 3.793 3.659 0.5717 0.3319 -1.8237 68DPPE C312 8213 5.044 3.850 3.733 -0.2939 0.2749 -0.4863 68DPPE H12X 8214 5.009 3.745 3.722 0.2881 0.0598 -0.3333 68DPPE H12Y 8215 4.964 3.920 3.703 -1.4345 -0.2153 1.2209 68DPPE C313 8216 5.101 3.872 3.874 -0.8234 1.1409 -0.4004 68DPPE H13X 8217 5.141 3.975 3.867 -2.6646 1.8014 -2.4262 68DPPE H13Y 8218 5.187 3.801 3.881 -0.9912 1.0324 0.8240 68DPPE C314 8219 5.003 3.861 3.991 -0.1064 -0.2486 0.0971 68DPPE H14X 8220 4.935 3.949 3.982 0.0046 -0.3793 -4.3994 68DPPE H14Y 8221 5.068 3.879 4.078 0.0687 1.3315 -0.3292 68DPPE C315 8222 4.908 3.741 3.993 -0.7181 0.2267 0.1767 68DPPE H15X 8223 4.977 3.653 4.002 -0.3415 0.1733 -2.3299 68DPPE H15Y 8224 4.850 3.733 3.898 -0.0755 2.0319 -0.4064 68DPPE C316 8225 4.822 3.724 4.117 -1.0176 0.7011 0.0330 68DPPE H16X 8226 4.889 3.713 4.206 0.6972 0.3027 -1.2630 68DPPE H16Y 8227 4.759 3.633 4.113 0.4399 -0.2924 -1.1546 68DPPE H16Z 8228 4.757 3.813 4.132 -0.6756 1.0243 -0.3747 69DPPE N 8229 3.719 2.280 2.276 -0.4081 0.0489 -0.3121 69DPPE HN1 8230 3.801 2.276 2.341 0.5267 2.4893 -1.1975 69DPPE HN2 8231 3.689 2.379 2.277 0.6834 0.4063 0.5222 69DPPE HN3 8232 3.747 2.261 2.178 0.9002 2.9817 -0.5987 69DPPE C12 8233 3.602 2.192 2.312 -0.2359 -0.0181 0.0986 69DPPE H12A 8234 3.632 2.085 2.305 -2.3610 -0.8530 2.4683 69DPPE H12B 8235 3.584 2.214 2.419 -2.6105 -1.3590 0.0261 69DPPE C11 8236 3.475 2.222 2.232 0.2998 0.4978 -0.5778 69DPPE H11A 8237 3.408 2.134 2.244 1.6359 -0.9143 -2.8824 69DPPE H11B 8238 3.511 2.218 2.127 0.1432 -2.8579 -0.6120 69DPPE P 8239 3.301 2.425 2.212 0.0515 -0.2206 -0.3709 69DPPE O13 8240 3.229 2.330 2.123 -0.5380 0.0083 -0.1393 69DPPE O14 8241 3.359 2.543 2.145 0.6443 0.0377 0.5872 69DPPE O11 8242 3.217 2.464 2.342 0.0729 -0.3894 -0.3053 69DPPE O12 8243 3.426 2.349 2.276 -0.5593 -0.2735 0.7804 69DPPE C1 8244 3.276 2.498 2.467 0.2556 -0.6818 -0.3115 69DPPE HA 8245 3.204 2.559 2.526 1.4533 -1.4532 2.0948 69DPPE HB 8246 3.372 2.552 2.455 0.0342 -0.1894 0.0793 69DPPE C2 8247 3.302 2.376 2.557 -0.0035 0.0368 0.7664 69DPPE HS 8248 3.367 2.301 2.507 -1.0344 -0.3192 -0.0932 69DPPE O21 8249 3.176 2.315 2.588 -0.0429 -0.3361 -0.0811 69DPPE C21 8250 3.169 2.195 2.647 0.1430 -0.4537 -0.2965 69DPPE O22 8251 3.264 2.119 2.655 0.2223 -0.3647 -0.3883 69DPPE C22 8252 3.035 2.177 2.717 0.2939 -0.5701 -0.0346 69DPPE H2R 8253 2.968 2.118 2.649 -0.3401 -0.3095 0.3572 69DPPE H2S 8254 2.980 2.271 2.738 0.3332 -0.7109 0.7167 69DPPE C3 8255 3.376 2.429 2.681 0.4867 0.1524 0.4268 69DPPE HX 8256 3.482 2.450 2.654 1.1926 -1.0719 2.0523 69DPPE HY 8257 3.388 2.345 2.753 -0.0357 -0.4219 -0.1362 69DPPE O31 8258 3.309 2.540 2.740 -0.2448 0.2709 -0.5919 69DPPE C31 8259 3.229 2.501 2.840 0.5220 0.0025 -0.0684 69DPPE O32 8260 3.211 2.386 2.877 -0.2101 0.3274 0.6206 69DPPE C32 8261 3.171 2.627 2.903 -0.0695 -0.3395 0.0770 69DPPE H2X 8262 3.065 2.596 2.914 0.0311 -0.4766 0.6953 69DPPE H2Y 8263 3.176 2.711 2.830 -2.0597 0.5490 0.8967 69DPPE C23 8264 3.048 2.101 2.849 -0.2429 0.2117 0.4779 69DPPE H3R 8265 3.109 2.163 2.918 0.0757 -0.1656 0.5372 69DPPE H3S 8266 3.096 2.003 2.828 1.4857 1.3697 -1.3086 69DPPE C24 8267 2.913 2.068 2.911 -0.3947 0.4152 0.2590 69DPPE H4R 8268 2.848 1.989 2.867 -2.1577 -0.3933 3.8574 69DPPE H4S 8269 2.856 2.160 2.935 3.0614 3.0547 -1.0098 69DPPE C25 8270 2.947 1.999 3.044 -0.0630 -0.9692 -0.5259 69DPPE H5R 8271 3.005 2.067 3.109 -1.9821 -1.0603 1.3795 69DPPE H5S 8272 3.013 1.915 3.013 -0.1061 -1.3044 0.2667 69DPPE C26 8273 2.830 1.935 3.119 -0.0016 -0.1379 0.2951 69DPPE H6R 8274 2.763 1.883 3.047 0.1767 0.5996 -0.4146 69DPPE H6S 8275 2.756 1.998 3.172 -1.4558 -1.1028 -0.5088 69DPPE C27 8276 2.875 1.828 3.219 0.1176 -0.2464 0.1273 69DPPE H7R 8277 2.957 1.773 3.169 0.7917 1.9953 -1.3901 69DPPE H7S 8278 2.791 1.759 3.243 1.2583 -2.0698 -0.9279 69DPPE C28 8279 2.919 1.899 3.347 -0.4484 -0.0359 0.2072 69DPPE H8R 8280 2.831 1.924 3.410 -1.0049 0.7030 -0.8196 69DPPE H8S 8281 2.978 1.991 3.323 1.2938 -0.8118 1.3563 69DPPE C29 8282 3.012 1.805 3.423 0.1904 0.4201 -0.0078 69DPPE H9R 8283 3.117 1.808 3.386 0.4813 -0.1289 0.7587 69DPPE H9S 8284 2.961 1.708 3.406 2.2968 -0.9606 1.0141 69DPPE C210 8285 3.024 1.834 3.573 -0.5063 0.5445 0.0253 69DPPE H10R 8286 2.922 1.863 3.605 -0.7440 0.6744 -0.8065 69DPPE H10S 8287 3.089 1.917 3.607 -0.2296 0.4733 -0.3253 69DPPE C211 8288 3.074 1.713 3.651 -0.2424 0.5853 -0.0800 69DPPE H11R 8289 3.172 1.680 3.610 -0.4456 -0.8021 0.4748 69DPPE H11S 8290 2.997 1.637 3.623 -0.9061 1.6044 -1.0981 69DPPE C212 8291 3.064 1.722 3.803 0.0888 -0.0015 -0.0169 69DPPE H12R 8292 2.959 1.741 3.836 0.4152 2.8794 -0.3871 69DPPE H12S 8293 3.124 1.805 3.846 0.0833 0.0227 -0.0554 69DPPE C213 8294 3.117 1.600 3.878 0.0607 -0.6887 -1.0855 69DPPE H13R 8295 3.089 1.511 3.818 -2.5723 -0.8146 0.1874 69DPPE H13S 8296 3.076 1.618 3.980 0.7885 0.6693 -1.0057 69DPPE C214 8297 3.269 1.615 3.888 -0.0641 -0.1625 0.2558 69DPPE H14R 8298 3.306 1.717 3.915 1.2387 -0.8753 1.3054 69DPPE H14S 8299 3.299 1.592 3.784 -0.7532 0.8786 -0.1872 69DPPE C215 8300 3.334 1.519 3.988 0.3515 0.3950 0.5267 69DPPE H15R 8301 3.445 1.529 3.981 0.4943 -0.7623 0.8926 69DPPE H15S 8302 3.293 1.417 3.973 0.7788 -0.1767 2.8462 69DPPE C216 8303 3.303 1.554 4.133 0.3590 0.3947 0.5285 69DPPE H16R 8304 3.367 1.485 4.193 -2.2781 -2.1601 0.6107 69DPPE H16S 8305 3.200 1.521 4.159 -0.1198 1.7940 0.4955 69DPPE H16T 8306 3.326 1.658 4.166 -1.7469 0.9358 0.4613 69DPPE C33 8307 3.240 2.670 3.033 -0.8281 0.8051 0.1186 69DPPE H3X 8308 3.226 2.777 3.056 2.9314 1.6346 -0.8521 69DPPE H3Y 8309 3.350 2.664 3.016 -0.9051 -0.4940 -0.0442 69DPPE C34 8310 3.209 2.599 3.165 0.0227 0.3517 0.0773 69DPPE H4X 8311 3.297 2.564 3.224 -0.5556 1.0892 1.4214 69DPPE H4Y 8312 3.135 2.517 3.156 -0.5258 0.8875 -0.3283 69DPPE C35 8313 3.142 2.693 3.264 0.4037 0.7100 -0.0032 69DPPE H5X 8314 3.033 2.675 3.257 0.3798 1.5210 -3.1254 69DPPE H5Y 8315 3.152 2.803 3.247 1.5874 0.7954 1.1084 69DPPE C36 8316 3.199 2.678 3.405 -0.0819 -0.2362 0.0981 69DPPE H6X 8317 3.307 2.695 3.385 -0.6497 1.5524 -1.7724 69DPPE H6Y 8318 3.191 2.572 3.438 -2.1786 0.0381 0.6450 69DPPE C37 8319 3.132 2.766 3.511 0.5695 0.1314 0.2103 69DPPE H7X 8320 3.032 2.721 3.531 0.0442 -0.2235 -2.7790 69DPPE H7Y 8321 3.132 2.872 3.479 -1.8991 -0.1072 -0.7843 69DPPE C38 8322 3.212 2.768 3.642 0.0408 -0.3074 0.5456 69DPPE H8X 8323 3.315 2.802 3.620 -0.3560 0.2517 -0.4957 69DPPE H8Y 8324 3.209 2.663 3.678 1.2081 -1.1031 -1.4949 69DPPE C39 8325 3.152 2.868 3.741 0.4668 0.0921 0.4005 69DPPE H9X 8326 3.045 2.839 3.746 0.4400 0.4164 1.8799 69DPPE H9Y 8327 3.163 2.976 3.715 -0.5076 0.0834 -0.0802 69DPPE C310 8328 3.216 2.843 3.877 0.3295 0.2152 0.4880 69DPPE H10X 8329 3.327 2.845 3.872 0.3142 -0.8447 -1.3020 69DPPE H10Y 8330 3.179 2.742 3.906 1.2297 -0.8221 -1.7388 69DPPE C311 8331 3.178 2.945 3.984 -0.2497 0.1519 0.3438 69DPPE H11X 8332 3.143 2.889 4.073 -1.9309 -2.1590 -1.6484 69DPPE H11Y 8333 3.079 2.981 3.948 -0.4723 1.1345 1.8376 69DPPE C312 8334 3.283 3.054 4.008 0.4539 -0.4114 -0.1389 69DPPE H12X 8335 3.334 3.088 3.915 0.1359 -2.1282 -0.9797 69DPPE H12Y 8336 3.346 2.998 4.080 -0.4762 -1.2240 0.0688 69DPPE C313 8337 3.212 3.174 4.071 0.2810 -0.4177 -0.3181 69DPPE H13X 8338 3.150 3.151 4.160 -2.5354 1.0653 -1.7448 69DPPE H13Y 8339 3.146 3.223 3.997 1.7013 -0.9585 -2.0238 69DPPE C314 8340 3.314 3.281 4.111 -0.2933 -0.1175 0.3654 69DPPE H14X 8341 3.356 3.323 4.017 -3.5551 -1.5032 -1.8964 69DPPE H14Y 8342 3.394 3.230 4.168 -0.2681 -1.7139 -1.0043 69DPPE C315 8343 3.276 3.405 4.192 -0.1862 0.0403 0.1775 69DPPE H15X 8344 3.218 3.373 4.281 -0.3320 -1.5056 -0.4352 69DPPE H15Y 8345 3.219 3.478 4.131 1.1798 2.7758 1.9598 69DPPE C316 8346 3.396 3.486 4.242 -0.0377 -0.2563 0.3103 69DPPE H16X 8347 3.368 3.585 4.285 0.9670 -0.1120 0.6368 69DPPE H16Y 8348 3.454 3.425 4.314 0.6529 -0.5123 -0.4463 69DPPE H16Z 8349 3.462 3.506 4.154 1.6219 -0.5014 1.4678 70DPPE N 8350 2.134 3.003 2.037 0.7082 -0.5665 0.2563 70DPPE HN1 8351 2.124 3.106 2.038 -1.6946 -0.6917 -1.7081 70DPPE HN2 8352 2.135 2.981 2.139 0.9239 -0.3582 0.2997 70DPPE HN3 8353 2.226 2.974 1.999 0.8052 -0.9965 0.8006 70DPPE C12 8354 2.012 2.940 1.973 0.4624 -0.0524 0.2134 70DPPE H12A 8355 1.928 3.011 1.985 0.5353 0.5203 -2.1015 70DPPE H12B 8356 2.039 2.920 1.867 0.4118 1.1044 -0.0365 70DPPE C11 8357 1.987 2.801 2.032 -1.1740 0.1554 0.0388 70DPPE H11A 8358 2.078 2.741 2.015 -1.0262 0.0254 1.1906 70DPPE H11B 8359 1.897 2.762 1.980 -2.8098 3.2920 0.2607 70DPPE P 8360 1.927 2.664 2.236 -0.2483 -0.1052 0.0203 70DPPE O13 8361 2.053 2.585 2.232 -0.1449 0.0623 -0.0465 70DPPE O14 8362 1.809 2.613 2.164 -0.1521 -0.0931 -0.1465 70DPPE O11 8363 1.910 2.711 2.388 0.3559 -0.0515 0.0770 70DPPE O12 8364 1.966 2.806 2.174 -0.0544 -0.0707 0.2191 70DPPE C1 8365 1.785 2.766 2.433 0.2807 -0.1610 0.0041 70DPPE HA 8366 1.708 2.686 2.429 2.2130 -2.2905 1.9966 70DPPE HB 8367 1.744 2.854 2.380 -0.0584 -0.1890 0.2189 70DPPE C2 8368 1.795 2.800 2.583 0.0484 -0.3464 0.0633 70DPPE HS 8369 1.878 2.875 2.587 0.7032 -1.0566 0.0610 70DPPE O21 8370 1.834 2.673 2.636 0.2688 -0.3404 -0.0793 70DPPE C21 8371 1.912 2.686 2.744 -0.2092 -0.2006 0.2536 70DPPE O22 8372 1.946 2.792 2.794 0.0641 0.0315 -0.4197 70DPPE C22 8373 1.977 2.550 2.766 0.0767 -0.1301 -0.1538 70DPPE H2R 8374 1.972 2.486 2.675 -0.0839 1.1516 -1.0863 70DPPE H2S 8375 1.931 2.505 2.856 1.4668 1.4149 1.4011 70DPPE C3 8376 1.659 2.847 2.636 -0.2167 -0.5762 -0.4041 70DPPE HX 8377 1.580 2.769 2.628 0.1333 -0.9373 -0.4086 70DPPE HY 8378 1.627 2.936 2.578 0.5253 1.1296 1.6688 70DPPE O31 8379 1.656 2.874 2.777 -0.3673 -0.6288 -0.3967 70DPPE C31 8380 1.698 2.995 2.813 0.3212 -0.9008 -0.2562 70DPPE O32 8381 1.742 3.085 2.742 -0.0592 -0.2305 0.3404 70DPPE C32 8382 1.719 3.004 2.964 -0.2261 0.4431 -0.2427 70DPPE H2X 8383 1.709 2.904 3.011 0.7974 1.6127 2.6548 70DPPE H2Y 8384 1.648 3.074 3.012 1.7297 1.3466 1.4795 70DPPE C23 8385 2.121 2.578 2.809 0.0435 0.3232 -0.3266 70DPPE H3R 8386 2.152 2.668 2.753 -2.2099 2.8159 2.1384 70DPPE H3S 8387 2.192 2.493 2.794 0.4293 0.3193 1.3451 70DPPE C24 8388 2.141 2.610 2.957 0.3064 -0.2014 -0.2459 70DPPE H4R 8389 2.087 2.532 3.015 1.1078 -1.0591 -0.6375 70DPPE H4S 8390 2.097 2.709 2.981 2.2283 0.0443 2.8272 70DPPE C25 8391 2.287 2.612 3.003 0.1246 0.9924 0.3224 70DPPE H5R 8392 2.350 2.678 2.938 2.8113 -1.7303 -0.0674 70DPPE H5S 8393 2.329 2.512 2.980 -0.6814 1.1220 -1.9186 70DPPE C26 8394 2.317 2.631 3.152 -0.2548 0.3871 0.4754 70DPPE H6R 8395 2.428 2.631 3.151 -0.2467 -0.3610 0.3042 70DPPE H6S 8396 2.290 2.540 3.210 0.3930 0.0424 0.2421 70DPPE C27 8397 2.248 2.753 3.213 -0.4664 0.4180 0.1807 70DPPE H7R 8398 2.139 2.736 3.222 -0.8034 0.8861 -2.4807 70DPPE H7S 8399 2.256 2.834 3.138 -1.1288 0.8596 0.5793 70DPPE C28 8400 2.317 2.798 3.343 -0.4903 -0.4356 0.4949 70DPPE H8R 8401 2.427 2.792 3.325 -0.4165 -0.1162 0.8363 70DPPE H8S 8402 2.289 2.725 3.422 0.6251 -1.5715 -0.1138 70DPPE C29 8403 2.289 2.947 3.362 0.3139 -0.2034 -0.0478 70DPPE H9R 8404 2.184 2.963 3.328 0.5959 0.2450 -0.7004 70DPPE H9S 8405 2.350 3.013 3.298 1.6182 -1.1314 0.1892 70DPPE C210 8406 2.287 2.998 3.507 0.2564 -0.3258 -0.0049 70DPPE H10R 8407 2.388 2.966 3.541 -0.0010 0.9321 2.0527 70DPPE H10S 8408 2.210 2.935 3.556 -0.0927 -0.4149 -0.6457 70DPPE C211 8409 2.259 3.148 3.516 0.6096 -0.2630 0.0640 70DPPE H11R 8410 2.152 3.162 3.489 0.4907 -2.2876 -0.7059 70DPPE H11S 8411 2.313 3.205 3.436 0.2149 -2.7103 -2.0975 70DPPE C212 8412 2.273 3.219 3.650 -0.0420 0.1161 -0.0673 70DPPE H12R 8413 2.253 3.328 3.637 2.3120 0.6959 0.7295 70DPPE H12S 8414 2.378 3.215 3.684 0.2381 1.4482 -0.6925 70DPPE C213 8415 2.191 3.157 3.764 -0.4797 0.0275 -0.4276 70DPPE H13R 8416 2.243 3.091 3.836 -0.1534 0.2846 -0.4260 70DPPE H13S 8417 2.099 3.117 3.716 0.0661 -1.2981 -0.4000 70DPPE C214 8418 2.143 3.263 3.864 0.5514 -0.2411 0.3623 70DPPE H14R 8419 2.068 3.332 3.820 -0.1875 -0.4920 1.1941 70DPPE H14S 8420 2.232 3.316 3.904 0.4814 0.8378 -0.8220 70DPPE C215 8421 2.065 3.195 3.977 0.1138 0.0547 0.2399 70DPPE H15R 8422 2.144 3.130 4.020 -0.4351 -1.8441 -1.4937 70DPPE H15S 8423 1.985 3.127 3.943 1.2668 -1.0040 -0.4379 70DPPE C216 8424 2.007 3.295 4.076 -0.2113 0.1615 -0.0561 70DPPE H16R 8425 1.916 3.340 4.030 -0.6456 0.5590 1.1345 70DPPE H16S 8426 2.079 3.377 4.099 1.0299 -0.7836 -0.4772 70DPPE H16T 8427 1.986 3.239 4.170 1.0792 -0.1709 0.0545 70DPPE C33 8428 1.857 3.065 2.990 -0.1841 0.2912 -0.1094 70DPPE H3X 8429 1.843 3.164 2.940 0.1820 0.0391 -0.7210 70DPPE H3Y 8430 1.935 3.003 2.942 0.4609 0.8101 0.2470 70DPPE C34 8431 1.898 3.086 3.136 -0.1187 -0.0365 -0.0816 70DPPE H4X 8432 2.008 3.094 3.145 0.0487 -2.1786 0.5512 70DPPE H4Y 8433 1.870 2.989 3.184 -0.0175 0.1590 0.3765 70DPPE C35 8434 1.822 3.203 3.199 -0.2240 -0.1482 0.0001 70DPPE H5X 8435 1.718 3.165 3.201 -0.7194 1.1836 1.6269 70DPPE H5Y 8436 1.833 3.295 3.139 -0.7561 -0.1023 -0.0262 70DPPE C36 8437 1.865 3.245 3.340 0.1230 0.3361 -0.2482 70DPPE H6X 8438 1.968 3.287 3.346 0.6957 -1.1571 1.0650 70DPPE H6Y 8439 1.868 3.159 3.409 -0.5433 -1.6084 -2.5265 70DPPE C37 8440 1.763 3.350 3.387 0.2915 0.2626 0.2826 70DPPE H7X 8441 1.672 3.287 3.375 1.2069 -1.1364 0.3897 70DPPE H7Y 8442 1.760 3.431 3.311 3.1243 2.2854 2.1096 70DPPE C38 8443 1.792 3.399 3.529 -0.2610 0.2758 0.3921 70DPPE H8X 8444 1.732 3.492 3.540 -2.9805 -1.2921 -0.2217 70DPPE H8Y 8445 1.899 3.424 3.543 -0.0527 -0.7703 0.7475 70DPPE C39 8446 1.735 3.303 3.633 0.0247 -0.0418 0.2550 70DPPE H9X 8447 1.818 3.235 3.662 -0.1957 0.0526 1.1519 70DPPE H9Y 8448 1.650 3.236 3.606 1.0094 -0.6326 -1.5565 70DPPE C310 8449 1.681 3.390 3.746 0.2521 0.5753 -0.1062 70DPPE H10X 8450 1.599 3.461 3.722 -1.4815 -1.7242 -1.3861 70DPPE H10Y 8451 1.767 3.446 3.788 2.1573 -0.0679 -2.9183 70DPPE C311 8452 1.619 3.320 3.868 0.4915 -0.0057 -0.3171 70DPPE H11X 8453 1.694 3.270 3.933 -0.6094 -1.5480 -0.1633 70DPPE H11Y 8454 1.544 3.244 3.836 -0.5744 0.0625 1.8314 70DPPE C312 8455 1.557 3.424 3.960 0.7075 -0.1765 0.0247 70DPPE H12X 8456 1.479 3.490 3.915 -0.3533 0.5592 2.7586 70DPPE H12Y 8457 1.645 3.478 4.001 0.8619 -0.9065 0.6715 70DPPE C313 8458 1.484 3.356 4.076 0.3176 0.1471 -0.0257 70DPPE H13X 8459 1.402 3.295 4.032 -0.6220 1.3533 0.0008 70DPPE H13Y 8460 1.439 3.439 4.136 0.6312 -1.0164 1.9141 70DPPE C314 8461 1.574 3.267 4.162 0.9055 0.2942 -0.4847 70DPPE H14X 8462 1.662 3.325 4.197 -0.6765 1.6302 1.4189 70DPPE H14Y 8463 1.605 3.183 4.095 0.7276 -0.9989 1.0017 70DPPE C315 8464 1.511 3.186 4.275 0.5320 0.7754 -0.3468 70DPPE H15X 8465 1.440 3.257 4.323 1.4907 0.5563 1.4931 70DPPE H15Y 8466 1.585 3.165 4.355 3.2700 -0.6486 -3.0298 70DPPE C316 8467 1.435 3.059 4.238 -0.1693 0.8119 0.9146 70DPPE H16X 8468 1.354 3.084 4.165 -1.7729 0.4401 2.4882 70DPPE H16Y 8469 1.510 2.993 4.190 -0.4483 -0.6425 2.4014 70DPPE H16Z 8470 1.394 3.007 4.327 -1.2245 -0.6010 -0.3467 71DPPE N 8471 5.197 0.578 2.262 -0.5962 0.1777 0.1829 71DPPE HN1 8472 5.212 0.510 2.339 -0.8742 -1.3455 -1.0586 71DPPE HN2 8473 5.241 0.671 2.277 0.3403 -0.1729 -0.3091 71DPPE HN3 8474 5.094 0.583 2.248 -0.8421 -3.1230 0.0403 71DPPE C12 8475 5.255 0.517 2.137 -0.0918 0.1226 0.4401 71DPPE H12A 8476 5.272 0.595 2.060 -1.4202 -0.8357 -0.8809 71DPPE H12B 8477 5.187 0.439 2.097 -0.3088 0.7751 -0.5014 71DPPE C11 8478 5.384 0.454 2.188 0.3371 0.5769 -0.0707 71DPPE H11A 8479 5.436 0.404 2.104 -0.8159 0.9028 -0.9939 71DPPE H11B 8480 5.460 0.530 2.220 2.4407 -1.3680 -0.1905 71DPPE P 8481 5.479 0.275 2.333 0.2028 -0.0825 0.3489 71DPPE O13 8482 5.586 0.367 2.379 0.5205 -0.4809 0.4111 71DPPE O14 8483 5.519 0.194 2.215 -0.1920 -0.1605 0.2689 71DPPE O11 8484 5.426 0.178 2.448 0.0871 0.0229 0.3847 71DPPE O12 8485 5.351 0.361 2.291 0.7881 0.7525 0.2393 71DPPE C1 8486 5.291 0.132 2.440 -0.0091 0.3191 0.3224 71DPPE HA 8487 5.292 0.021 2.431 0.5224 0.3027 0.5896 71DPPE HB 8488 5.219 0.176 2.367 -0.1355 -1.8225 -0.9248 71DPPE C2 8489 5.230 0.150 2.580 0.0109 0.1624 0.3510 71DPPE HS 8490 5.225 0.259 2.596 1.8294 0.5029 -1.1221 71DPPE O21 8491 5.312 0.078 2.672 0.2293 -0.1232 -0.0655 71DPPE C21 8492 5.314 0.134 2.792 0.1696 0.1058 -0.1720 71DPPE O22 8493 5.240 0.225 2.828 -0.5426 -0.4339 -0.2545 71DPPE C22 8494 5.407 0.056 2.884 -0.2222 -0.4277 -0.2252 71DPPE H2R 8495 5.504 0.092 2.844 0.4796 -0.0569 1.7217 71DPPE H2S 8496 5.398 -0.051 2.857 -1.7554 -0.2754 -0.4702 71DPPE C3 8497 5.090 0.086 2.568 0.0710 0.0716 0.1205 71DPPE HX 8498 5.111 -0.021 2.547 1.5455 -0.3878 3.3702 71DPPE HY 8499 5.046 0.132 2.477 -0.2120 0.3317 0.3868 71DPPE O31 8500 5.010 0.095 2.686 -0.2974 -0.2424 -0.1038 71DPPE C31 8501 4.957 0.217 2.699 -0.0102 -0.1862 0.5502 71DPPE O32 8502 4.970 0.310 2.622 -0.4534 -0.4328 0.1769 71DPPE C32 8503 4.861 0.223 2.817 -0.4384 0.0748 0.1929 71DPPE H2X 8504 4.787 0.141 2.816 0.9238 -1.2066 0.1357 71DPPE H2Y 8505 4.806 0.319 2.829 0.1896 0.2936 1.5083 71DPPE C23 8506 5.381 0.054 3.035 -0.1969 0.4162 -0.2025 71DPPE H3R 8507 5.346 0.152 3.072 3.0706 1.2941 0.8855 71DPPE H3S 8508 5.482 0.028 3.072 -0.6811 0.6853 1.3551 71DPPE C24 8509 5.281 -0.049 3.089 -0.1033 0.5666 0.2687 71DPPE H4R 8510 5.320 -0.152 3.077 0.3833 0.0165 4.8457 71DPPE H4S 8511 5.183 -0.026 3.042 0.5477 -1.7174 -2.4966 71DPPE C25 8512 5.257 -0.036 3.239 -0.8631 -0.0745 0.2108 71DPPE H5R 8513 5.171 -0.103 3.260 -0.7061 0.1279 1.5979 71DPPE H5S 8514 5.225 0.068 3.262 1.3913 0.6745 0.2575 71DPPE C26 8515 5.379 -0.079 3.321 -0.3114 0.3533 -0.3718 71DPPE H6R 8516 5.473 -0.024 3.304 0.8562 -1.6338 -0.7029 71DPPE H6S 8517 5.408 -0.185 3.307 -0.8070 0.1761 -0.1047 71DPPE C27 8518 5.355 -0.068 3.472 0.3219 0.3782 -0.2717 71DPPE H7R 8519 5.258 -0.117 3.494 -1.3230 1.6885 -3.7746 71DPPE H7S 8520 5.351 0.042 3.488 3.0121 0.8086 -1.8110 71DPPE C28 8521 5.464 -0.120 3.566 -0.1966 0.1315 0.1969 71DPPE H8R 8522 5.542 -0.044 3.586 -1.5478 1.9424 -1.1003 71DPPE H8S 8523 5.510 -0.202 3.507 -0.7202 1.2617 -1.8796 71DPPE C29 8524 5.413 -0.181 3.697 -0.2293 -0.0381 0.1063 71DPPE H9R 8525 5.343 -0.266 3.682 -0.0225 -0.2840 0.5301 71DPPE H9S 8526 5.363 -0.097 3.751 -0.0434 0.0239 0.1838 71DPPE C210 8527 5.529 -0.232 3.782 0.2925 -0.1297 -0.6463 71DPPE H10R 8528 5.609 -0.289 3.730 0.0216 -3.1209 1.8509 71DPPE H10S 8529 5.485 -0.316 3.841 -2.0078 -0.0596 -2.1588 71DPPE C211 8530 5.593 -0.130 3.876 -0.3511 -0.1424 -0.1793 71DPPE H11R 8531 5.505 -0.095 3.934 -0.6723 0.0016 -0.7486 71DPPE H11S 8532 5.610 -0.037 3.817 -5.6510 1.2203 -0.0771 71DPPE C212 8533 5.704 -0.190 3.964 -0.0001 -0.0442 -0.5501 71DPPE H12R 8534 5.781 -0.240 3.902 0.8112 1.6922 -1.0043 71DPPE H12S 8535 5.661 -0.267 4.031 1.2709 0.2406 0.6354 71DPPE C213 8536 5.760 -0.076 4.049 -0.2098 -0.5137 0.2228 71DPPE H13R 8537 5.683 0.001 4.072 1.3833 1.7673 -1.5636 71DPPE H13S 8538 5.842 -0.022 3.997 -0.9515 0.4091 -0.0258 71DPPE C214 8539 5.812 -0.125 4.185 -0.1168 -0.5491 0.1739 71DPPE H14R 8540 5.888 -0.202 4.161 -0.2791 -0.2110 -1.5781 71DPPE H14S 8541 5.728 -0.161 4.247 -1.4470 1.2207 -0.4796 71DPPE C215 8542 5.900 -0.025 4.260 -0.4506 0.1890 -0.3982 71DPPE H15R 8543 5.978 0.029 4.202 0.0510 2.1046 1.9061 71DPPE H15S 8544 5.953 -0.078 4.342 -2.2702 0.3653 0.9582 71DPPE C216 8545 5.815 0.087 4.319 -0.1252 0.0860 0.2784 71DPPE H16R 8546 5.878 0.146 4.389 -0.7368 -2.7993 3.5587 71DPPE H16S 8547 5.738 0.040 4.385 1.1747 -0.8253 1.1900 71DPPE H16T 8548 5.772 0.151 4.239 -0.9822 -1.6602 -0.7302 71DPPE C33 8549 4.944 0.219 2.946 -0.4748 0.1956 0.2201 71DPPE H3X 8550 5.037 0.280 2.938 0.2550 -0.8665 0.3981 71DPPE H3Y 8551 4.969 0.111 2.956 -2.5566 -0.6963 -2.8173 71DPPE C34 8552 4.866 0.248 3.074 -0.5091 -0.0010 0.2449 71DPPE H4X 8553 4.854 0.359 3.083 1.4712 0.2094 0.8285 71DPPE H4Y 8554 4.771 0.192 3.066 0.5784 -1.5932 -3.8957 71DPPE C35 8555 4.944 0.205 3.199 0.4772 0.2481 -0.2777 71DPPE H5X 8556 5.044 0.252 3.205 0.5726 0.0424 -0.2403 71DPPE H5Y 8557 4.964 0.097 3.185 0.4309 0.4396 -2.1417 71DPPE C36 8558 4.854 0.232 3.320 0.1846 -0.3028 -0.3684 71DPPE H6X 8559 4.772 0.158 3.319 -0.7831 0.7390 -1.0741 71DPPE H6Y 8560 4.815 0.334 3.296 0.2917 -0.5559 -1.7513 71DPPE C37 8561 4.914 0.216 3.459 -0.2689 0.2502 -0.1061 71DPPE H7X 8562 4.962 0.116 3.465 -0.3679 0.1823 -0.4659 71DPPE H7Y 8563 4.834 0.223 3.536 1.0804 2.1054 1.2280 71DPPE C38 8564 5.025 0.318 3.486 -0.1725 0.0888 0.1132 71DPPE H8X 8565 4.979 0.419 3.492 2.3983 1.3815 -0.4026 71DPPE H8Y 8566 5.093 0.337 3.400 -0.7764 0.2428 -0.3419 71DPPE C39 8567 5.092 0.284 3.619 0.0084 -0.0221 -0.0062 71DPPE H9X 8568 5.136 0.182 3.607 -0.7435 -0.4900 1.0312 71DPPE H9Y 8569 5.005 0.284 3.689 -2.3763 0.0173 -2.7613 71DPPE C310 8570 5.190 0.391 3.666 0.7115 -0.4447 -0.4923 71DPPE H10X 8571 5.137 0.489 3.663 -2.7240 -2.1402 -0.1203 71DPPE H10Y 8572 5.260 0.396 3.579 -1.4631 -0.3387 -2.3413 71DPPE C311 8573 5.248 0.369 3.805 -0.3456 -0.4430 -0.0440 71DPPE H11X 8574 5.335 0.438 3.809 -1.7227 1.3494 1.0184 71DPPE H11Y 8575 5.287 0.267 3.823 1.1212 0.6277 4.0437 71DPPE C312 8576 5.155 0.418 3.916 0.4949 0.4496 0.2821 71DPPE H12X 8577 5.060 0.360 3.916 0.5724 0.2959 1.2253 71DPPE H12Y 8578 5.143 0.526 3.891 0.9784 0.0520 -1.8339 71DPPE C313 8579 5.214 0.408 4.057 -0.1631 0.0717 0.5396 71DPPE H13X 8580 5.145 0.450 4.133 0.3025 3.3444 -0.6860 71DPPE H13Y 8581 5.314 0.456 4.065 -0.8103 1.6981 -0.5340 71DPPE C314 8582 5.245 0.263 4.094 -0.3764 -0.0062 0.4137 71DPPE H14X 8583 5.297 0.211 4.010 -2.5231 -1.3789 -0.1415 71DPPE H14Y 8584 5.152 0.205 4.111 1.8790 -2.9841 4.1808 71DPPE C315 8585 5.326 0.257 4.223 -0.4033 -0.2356 0.4196 71DPPE H15X 8586 5.274 0.291 4.315 -0.2458 -1.0940 0.8375 71DPPE H15Y 8587 5.421 0.314 4.209 -0.3882 -0.8439 -2.6721 71DPPE C316 8588 5.368 0.113 4.255 0.2036 -0.2694 -0.5024 71DPPE H16X 8589 5.274 0.060 4.283 0.8027 -0.7101 0.7080 71DPPE H16Y 8590 5.437 0.102 4.340 1.4928 1.4497 -1.2618 71DPPE H16Z 8591 5.413 0.080 4.159 -2.4150 -1.1819 -1.5212 72DPPE N 8592 5.006 0.870 2.549 0.0435 0.9268 -0.2543 72DPPE HN1 8593 4.910 0.852 2.512 0.2536 -0.6837 -0.0928 72DPPE HN2 8594 5.037 0.956 2.500 0.2906 1.3654 0.6507 72DPPE HN3 8595 5.058 0.790 2.508 0.6113 1.2805 -0.2239 72DPPE C12 8596 5.022 0.903 2.695 0.6493 -0.4141 -0.0093 72DPPE H12A 8597 5.005 0.814 2.761 -1.6263 1.3863 2.0307 72DPPE H12B 8598 4.940 0.972 2.723 -2.1604 -3.2186 -0.7483 72DPPE C11 8599 5.163 0.957 2.721 0.5994 -0.2259 -0.1377 72DPPE H11A 8600 5.227 0.873 2.686 -1.3223 -1.1799 -1.6305 72DPPE H11B 8601 5.186 0.973 2.828 1.7962 -2.1881 -0.0504 72DPPE P 8602 5.325 1.138 2.684 -0.0194 0.2369 0.2331 72DPPE O13 8603 5.350 1.243 2.582 -0.0542 0.1942 0.1804 72DPPE O14 8604 5.422 1.027 2.690 0.0951 0.3163 -0.0774 72DPPE O11 8605 5.304 1.198 2.830 0.1197 0.4657 0.1607 72DPPE O12 8606 5.183 1.077 2.645 0.0185 0.1281 0.2661 72DPPE C1 8607 5.172 1.233 2.875 -0.2724 -0.2609 -0.4111 72DPPE HA 8608 5.103 1.150 2.900 0.5949 -1.0171 -0.4530 72DPPE HB 8609 5.117 1.303 2.809 0.4584 0.6485 -0.0824 72DPPE C2 8610 5.174 1.306 3.010 -0.4470 -0.2174 -0.4318 72DPPE HS 8611 5.219 1.406 2.993 0.3811 -0.5004 0.0496 72DPPE O21 8612 5.238 1.216 3.102 -0.3855 -0.0150 -0.2765 72DPPE C21 8613 5.268 1.287 3.211 -0.2983 0.3494 -0.5346 72DPPE O22 8614 5.231 1.399 3.242 -0.1841 0.2673 -0.0994 72DPPE C22 8615 5.359 1.206 3.302 -0.4146 -0.0130 -0.7395 72DPPE H2R 8616 5.457 1.191 3.251 0.4887 0.5908 0.7591 72DPPE H2S 8617 5.311 1.106 3.312 1.0888 -0.5869 1.8390 72DPPE C3 8618 5.027 1.329 3.048 -0.2825 -0.1317 0.1622 72DPPE HX 8619 4.977 1.368 2.957 -1.3353 0.0150 0.7820 72DPPE HY 8620 5.008 1.416 3.115 0.3240 0.2461 -0.1486 72DPPE O31 8621 4.973 1.210 3.107 -0.4396 -0.1651 -0.0512 72DPPE C31 8622 4.843 1.193 3.079 -0.4456 0.0915 -0.1911 72DPPE O32 8623 4.776 1.264 3.006 -0.1975 0.8989 0.3574 72DPPE C32 8624 4.802 1.061 3.143 0.7196 -0.1760 0.0354 72DPPE H2X 8625 4.894 1.000 3.156 1.3584 0.8546 0.5030 72DPPE H2Y 8626 4.723 1.014 3.081 -0.6686 2.3990 -0.2839 72DPPE C23 8627 5.371 1.265 3.442 -0.3471 -0.6796 -0.4580 72DPPE H3R 8628 5.288 1.228 3.505 0.2983 -0.9970 0.2280 72DPPE H3S 8629 5.381 1.376 3.435 0.5140 -0.4924 2.4564 72DPPE C24 8630 5.502 1.220 3.508 -0.1288 0.0038 -0.4122 72DPPE H4R 8631 5.581 1.277 3.454 0.2989 0.8487 1.0455 72DPPE H4S 8632 5.528 1.112 3.507 0.0362 0.0407 -1.2577 72DPPE C25 8633 5.500 1.268 3.653 0.1526 0.0430 -0.4200 72DPPE H5R 8634 5.413 1.225 3.708 0.0764 2.4976 1.5752 72DPPE H5S 8635 5.471 1.375 3.640 0.0649 0.2566 1.2822 72DPPE C26 8636 5.623 1.245 3.741 0.2566 0.3322 -0.4879 72DPPE H6R 8637 5.609 1.256 3.850 -0.9957 2.7108 -0.8082 72DPPE H6S 8638 5.700 1.315 3.702 -0.5372 1.6081 0.1596 72DPPE C27 8639 5.686 1.108 3.715 -0.3543 -0.2549 1.0091 72DPPE H7R 8640 5.696 1.098 3.605 -0.1755 -0.7180 1.0677 72DPPE H7S 8641 5.622 1.025 3.749 -1.5502 1.2743 2.6978 72DPPE C28 8642 5.816 1.084 3.791 0.0307 -0.8064 0.1900 72DPPE H8R 8643 5.782 1.082 3.897 -1.0955 0.2636 -0.1221 72DPPE H8S 8644 5.881 1.171 3.766 1.2173 -2.0858 -1.3979 72DPPE C29 8645 5.875 0.948 3.752 -0.7480 -1.1819 0.3174 72DPPE H9R 8646 5.809 0.874 3.803 0.9707 -2.5003 0.7059 72DPPE H9S 8647 5.878 0.912 3.647 -1.2987 -0.0476 -0.1040 72DPPE C210 8648 6.017 0.935 3.807 -0.3964 0.0500 -0.2509 72DPPE H10R 8649 6.074 1.021 3.766 0.6820 -0.2547 0.5576 72DPPE H10S 8650 6.012 0.945 3.918 -2.4052 1.7689 -0.4338 72DPPE C211 8651 6.084 0.803 3.770 0.8054 0.5951 -0.0764 72DPPE H11R 8652 6.026 0.710 3.793 1.7198 0.2319 0.8191 72DPPE H11S 8653 6.086 0.807 3.659 -0.5592 -0.9861 -0.1981 72DPPE C212 8654 6.229 0.798 3.817 0.7354 -0.0908 0.0837 72DPPE H12R 8655 6.275 0.899 3.804 3.2291 -1.0753 0.6604 72DPPE H12S 8656 6.276 0.728 3.745 -0.4669 0.3092 -1.1202 72DPPE C213 8657 6.241 0.744 3.960 -0.0390 -0.0399 0.1705 72DPPE H13R 8658 6.213 0.637 3.951 -1.9202 0.3615 0.6891 72DPPE H13S 8659 6.166 0.785 4.031 0.9866 1.2014 0.5722 72DPPE C214 8660 6.376 0.754 4.030 -0.0950 -0.6718 0.3774 72DPPE H14R 8661 6.380 0.678 4.110 1.8644 -0.7994 0.2146 72DPPE H14S 8662 6.382 0.851 4.085 -1.9031 -0.3018 -0.0248 72DPPE C215 8663 6.497 0.719 3.943 0.2280 0.2678 0.4325 72DPPE H15R 8664 6.583 0.745 4.008 -0.4668 5.9317 -0.3974 72DPPE H15S 8665 6.500 0.783 3.852 0.8164 -1.1027 -0.5473 72DPPE C216 8666 6.502 0.576 3.889 -0.1009 0.5534 -0.3681 72DPPE H16R 8667 6.462 0.505 3.964 1.9055 0.3642 0.6012 72DPPE H16S 8668 6.459 0.556 3.788 -2.1938 -1.5266 0.8450 72DPPE H16T 8669 6.611 0.560 3.876 0.0882 2.3259 -1.3374 72DPPE C33 8670 4.733 1.100 3.274 0.1715 -0.1784 -0.2504 72DPPE H3X 8671 4.674 1.016 3.318 -1.7964 2.7118 3.1473 72DPPE H3Y 8672 4.657 1.180 3.260 1.2811 1.2314 1.4877 72DPPE C34 8673 4.820 1.152 3.388 -0.0177 -0.6987 0.1354 72DPPE H4X 8674 4.809 1.260 3.412 -0.1946 -1.0173 1.6287 72DPPE H4Y 8675 4.924 1.132 3.355 1.1705 5.0288 -0.5873 72DPPE C35 8676 4.795 1.073 3.517 -0.8648 0.0364 0.4344 72DPPE H5X 8677 4.854 0.979 3.515 -0.9725 -0.0274 0.2096 72DPPE H5Y 8678 4.684 1.064 3.521 -0.8779 0.6096 1.7636 72DPPE C36 8679 4.836 1.154 3.640 0.1506 0.9115 -0.4580 72DPPE H6X 8680 4.784 1.104 3.725 -3.1445 0.4083 -2.5785 72DPPE H6Y 8681 4.779 1.247 3.621 0.2300 1.1699 0.4968 72DPPE C37 8682 4.985 1.173 3.670 0.1980 0.5699 -0.4662 72DPPE H7X 8683 5.020 1.246 3.594 -0.0840 0.0278 -1.1270 72DPPE H7Y 8684 5.031 1.074 3.650 -0.3650 -0.2819 2.0935 72DPPE C38 8685 4.990 1.238 3.809 0.5017 0.0025 -0.2104 72DPPE H8X 8686 4.963 1.166 3.889 -0.1475 0.8403 0.3390 72DPPE H8Y 8687 4.913 1.315 3.828 0.4613 -0.8194 3.6371 72DPPE C39 8688 5.130 1.294 3.837 0.4004 0.0392 0.2241 72DPPE H9X 8689 5.140 1.375 3.761 -1.6844 2.5396 2.4035 72DPPE H9Y 8690 5.211 1.220 3.821 0.3316 -0.0474 0.2741 72DPPE C310 8691 5.135 1.371 3.969 -0.5303 -0.1814 0.3969 72DPPE H10X 8692 5.120 1.301 4.053 2.8462 -0.6673 0.7216 72DPPE H10Y 8693 5.044 1.433 3.959 -0.6717 -0.6320 -1.3573 72DPPE C311 8694 5.263 1.454 3.987 -0.3418 -0.2552 -0.5605 72DPPE H11X 8695 5.239 1.518 4.075 -1.9317 -1.8449 0.2340 72DPPE H11Y 8696 5.272 1.520 3.898 -0.5767 -1.0157 -1.1671 72DPPE C312 8697 5.400 1.389 4.008 -0.4474 -0.1226 0.6250 72DPPE H12X 8698 5.473 1.470 3.985 1.0122 -1.2574 1.1117 72DPPE H12Y 8699 5.412 1.307 3.934 -1.9473 -0.4091 0.6763 72DPPE C313 8700 5.428 1.355 4.154 0.5018 -0.7943 0.2952 72DPPE H13X 8701 5.340 1.296 4.187 -0.6972 0.4570 -0.5473 72DPPE H13Y 8702 5.431 1.447 4.216 -3.5330 -0.7765 0.7461 72DPPE C314 8703 5.559 1.279 4.180 0.5196 -0.8055 0.1755 72DPPE H14X 8704 5.644 1.339 4.141 0.7456 0.5529 2.5055 72DPPE H14Y 8705 5.549 1.180 4.132 1.6021 -0.5355 -0.6528 72DPPE C315 8706 5.592 1.267 4.329 0.9669 -0.0563 0.1444 72DPPE H15X 8707 5.504 1.214 4.372 1.1984 1.0651 2.1072 72DPPE H15Y 8708 5.591 1.367 4.377 0.0090 -0.0105 0.0465 72DPPE C316 8709 5.720 1.190 4.360 0.9042 0.2283 1.1403 72DPPE H16X 8710 5.718 1.169 4.469 -2.7672 -2.1515 0.7800 72DPPE H16Y 8711 5.818 1.237 4.338 1.8615 -2.7116 -1.5357 72DPPE H16Z 8712 5.720 1.098 4.298 -2.7314 0.5542 0.4515 73DPPE N 8713 0.118 4.372 1.713 0.0411 -0.0928 0.5727 73DPPE HN1 8714 0.164 4.450 1.764 0.5805 -0.7489 1.1006 73DPPE HN2 8715 0.074 4.318 1.791 -0.1058 -0.0810 0.4995 73DPPE HN3 8716 0.197 4.319 1.671 1.3144 1.8421 0.4378 73DPPE C12 8717 0.008 4.401 1.613 0.4461 -0.8750 -0.1121 73DPPE H12A 8718 0.029 4.332 1.528 3.6711 1.4660 -1.4129 73DPPE H12B 8719 -0.089 4.378 1.662 0.1653 -0.4785 -0.4778 73DPPE C11 8720 0.016 4.541 1.552 -0.0046 -0.5403 0.5863 73DPPE H11A 8721 -0.076 4.568 1.496 0.0329 -0.2631 0.6543 73DPPE H11B 8722 0.103 4.545 1.483 0.1932 -0.0795 0.8633 73DPPE P 8723 -0.105 4.718 1.705 -0.2834 -0.1135 -0.0530 73DPPE O13 8724 -0.220 4.627 1.728 -0.2109 -0.2447 -0.2203 73DPPE O14 8725 -0.127 4.832 1.613 0.2043 -0.3410 -0.4520 73DPPE O11 8726 -0.049 4.778 1.842 0.5487 -0.1550 -0.3737 73DPPE O12 8727 0.024 4.636 1.659 -0.1491 -0.0133 0.1329 73DPPE C1 8728 0.079 4.842 1.844 0.3338 0.2714 0.4876 73DPPE HA 8729 0.074 4.928 1.914 1.7799 -0.1724 1.1974 73DPPE HB 8730 0.111 4.868 1.741 1.2217 -0.3179 0.6014 73DPPE C2 8731 0.188 4.757 1.912 0.2538 0.1102 0.4150 73DPPE HS 8732 0.211 4.677 1.838 -0.3378 -0.4636 0.8485 73DPPE O21 8733 0.133 4.709 2.034 0.6653 -0.3481 0.4232 73DPPE C21 8734 0.152 4.579 2.056 -0.0042 -0.6248 -0.6150 73DPPE O22 8735 0.219 4.503 1.987 0.3965 -0.5009 -0.3644 73DPPE C22 8736 0.100 4.537 2.192 0.3839 0.5360 -0.0985 73DPPE H2R 8737 0.175 4.478 2.250 0.9995 -1.1144 -2.4506 73DPPE H2S 8738 0.013 4.470 2.173 0.4113 0.2160 0.8191 73DPPE C3 8739 0.319 4.835 1.936 0.3340 0.0892 0.0637 73DPPE HX 8740 0.364 4.883 1.847 0.3043 1.5111 0.7880 73DPPE HY 8741 0.387 4.760 1.981 1.5122 0.8683 -0.3586 73DPPE O31 8742 0.291 4.942 2.027 -0.3023 0.0317 -0.0601 73DPPE C31 8743 0.367 4.959 2.136 -0.5857 -0.1231 0.1631 73DPPE O32 8744 0.462 4.886 2.156 -0.2468 0.0176 -0.8580 73DPPE C32 8745 0.301 5.044 2.244 -0.3094 0.1168 0.1432 73DPPE H2X 8746 0.231 4.972 2.292 2.7301 -2.0169 1.7223 73DPPE H2Y 8747 0.245 5.131 2.205 1.8657 1.3340 -0.4713 73DPPE C23 8748 0.040 4.651 2.274 0.3422 0.3895 0.0754 73DPPE H3R 8749 -0.045 4.606 2.330 0.0029 0.3281 -0.4808 73DPPE H3S 8750 -0.013 4.719 2.204 0.3013 -2.2120 -2.6276 73DPPE C24 8751 0.131 4.717 2.378 0.5962 0.0848 0.0497 73DPPE H4R 8752 0.098 4.822 2.397 -2.2623 -0.4150 -1.5166 73DPPE H4S 8753 0.234 4.711 2.339 0.6486 -2.9426 0.4406 73DPPE C25 8754 0.107 4.651 2.514 0.1045 -0.1885 -0.1689 73DPPE H5R 8755 0.119 4.541 2.505 -1.4248 -0.3111 -1.1290 73DPPE H5S 8756 0.003 4.675 2.545 1.4015 3.5713 1.7999 73DPPE C26 8757 0.195 4.710 2.624 -0.8989 0.4689 0.2940 73DPPE H6R 8758 0.204 4.821 2.613 -2.0249 0.3916 -2.2532 73DPPE H6S 8759 0.294 4.662 2.608 -0.1028 2.3927 -1.0287 73DPPE C27 8760 0.154 4.659 2.762 0.2649 0.1653 0.5332 73DPPE H7R 8761 0.153 4.548 2.762 0.0171 0.1668 0.9738 73DPPE H7S 8762 0.050 4.675 2.795 1.1379 0.9937 3.0763 73DPPE C28 8763 0.242 4.719 2.871 0.4566 0.8234 0.0212 73DPPE H8R 8764 0.235 4.830 2.880 -0.1973 0.6490 3.0731 73DPPE H8S 8765 0.343 4.682 2.845 0.0222 0.4984 -1.2322 73DPPE C29 8766 0.202 4.666 3.009 0.3996 0.1036 -0.2697 73DPPE H9R 8767 0.195 4.556 3.016 -1.6118 0.0526 -2.2253 73DPPE H9S 8768 0.098 4.699 3.029 -0.0394 -1.0372 -0.5761 73DPPE C210 8769 0.282 4.720 3.128 0.3929 -0.1017 -0.1719 73DPPE H10R 8770 0.256 4.828 3.137 0.9242 0.0588 -0.4962 73DPPE H10S 8771 0.386 4.725 3.090 0.0392 0.8033 -1.0628 73DPPE C211 8772 0.259 4.670 3.271 0.0392 -0.0435 -0.2083 73DPPE H11R 8773 0.263 4.560 3.259 -1.0696 0.1248 -3.0202 73DPPE H11S 8774 0.161 4.689 3.319 0.2097 -2.0347 1.0213 73DPPE C212 8775 0.366 4.723 3.366 0.2613 -0.8182 -0.0187 73DPPE H12R 8776 0.344 4.824 3.407 -3.5060 -1.5157 0.0838 73DPPE H12S 8777 0.469 4.724 3.325 0.4328 1.8340 0.2820 73DPPE C213 8778 0.358 4.643 3.496 0.5625 -0.3322 0.3022 73DPPE H13R 8779 0.360 4.538 3.460 0.5691 -0.7161 1.3860 73DPPE H13S 8780 0.266 4.671 3.551 -0.6929 -0.2780 -1.7392 73DPPE C214 8781 0.471 4.673 3.595 0.6595 -0.1688 0.1425 73DPPE H14R 8782 0.480 4.783 3.608 -3.2997 0.5471 -1.7114 73DPPE H14S 8783 0.563 4.618 3.568 2.1202 1.5837 1.3276 73DPPE C215 8784 0.443 4.610 3.732 0.4720 -0.0331 0.1666 73DPPE H15R 8785 0.536 4.618 3.792 1.1719 -0.2399 -0.8617 73DPPE H15S 8786 0.408 4.506 3.718 2.3132 -0.5188 -1.2312 73DPPE C216 8787 0.336 4.688 3.809 0.0121 0.1215 -0.6122 73DPPE H16R 8788 0.312 4.785 3.762 -2.3234 0.2503 0.7168 73DPPE H16S 8789 0.255 4.612 3.803 1.9683 -1.9883 -2.3446 73DPPE H16T 8790 0.353 4.692 3.919 -0.7723 2.1162 -0.5154 73DPPE C33 8791 0.403 5.102 2.342 -0.4555 0.3160 0.1760 73DPPE H3X 8792 0.398 5.213 2.338 2.0956 0.4935 0.3246 73DPPE H3Y 8793 0.510 5.082 2.320 -0.4502 -0.1175 0.5798 73DPPE C34 8794 0.374 5.059 2.486 -0.3185 0.4119 0.2334 73DPPE H4X 8795 0.370 4.948 2.489 -0.0922 0.0645 -4.4222 73DPPE H4Y 8796 0.269 5.093 2.499 -0.6829 -0.4222 -0.3919 73DPPE C35 8797 0.462 5.116 2.597 0.0867 0.1627 0.0450 73DPPE H5X 8798 0.453 5.227 2.602 2.7674 0.3996 1.1552 73DPPE H5Y 8799 0.570 5.096 2.583 -0.2002 0.0304 -2.5534 73DPPE C36 8800 0.441 5.052 2.735 -0.1618 0.3628 0.1016 73DPPE H6X 8801 0.463 4.944 2.722 -0.4429 0.2149 0.8012 73DPPE H6Y 8802 0.340 5.067 2.779 0.6864 0.1597 2.1919 73DPPE C37 8803 0.531 5.107 2.846 0.2274 -0.0107 -0.0256 73DPPE H7X 8804 0.526 5.218 2.856 -0.1212 0.0753 -1.0046 73DPPE H7Y 8805 0.636 5.080 2.823 -0.7058 -3.8825 -0.4860 73DPPE C38 8806 0.508 5.048 2.985 0.0391 0.4936 0.1593 73DPPE H8X 8807 0.523 4.938 2.977 -0.9471 0.4062 -0.6292 73DPPE H8Y 8808 0.405 5.065 3.023 0.1018 -0.6849 0.9206 73DPPE C39 8809 0.615 5.093 3.086 -0.0844 0.3051 0.3753 73DPPE H9X 8810 0.620 5.204 3.085 -1.9525 0.4331 0.8068 73DPPE H9Y 8811 0.714 5.050 3.058 -0.5131 -0.8448 0.5862 73DPPE C310 8812 0.580 5.048 3.228 -0.5482 -0.1925 0.1076 73DPPE H10X 8813 0.549 4.941 3.223 -0.8129 -0.0812 -1.2135 73DPPE H10Y 8814 0.494 5.112 3.257 0.3804 1.4795 -0.6848 73DPPE C311 8815 0.701 5.055 3.321 0.0327 -0.4924 -0.6152 73DPPE H11X 8816 0.717 5.164 3.336 -2.0354 -0.3363 0.8637 73DPPE H11Y 8817 0.785 5.010 3.263 -0.5111 -3.4524 0.7269 73DPPE C312 8818 0.681 5.003 3.463 -0.5761 0.5121 -0.3241 73DPPE H12X 8819 0.673 4.893 3.460 2.3882 0.1942 0.5735 73DPPE H12Y 8820 0.592 5.042 3.517 0.3738 0.6782 1.1944 73DPPE C313 8821 0.801 5.036 3.551 -0.5500 -0.0391 -0.1494 73DPPE H13X 8822 0.830 5.140 3.523 -1.7563 -0.3652 -2.8444 73DPPE H13Y 8823 0.889 4.977 3.517 -0.1894 0.0250 0.6393 73DPPE C314 8824 0.770 5.016 3.700 0.3567 -0.0122 0.0514 73DPPE H14X 8825 0.733 4.912 3.717 0.9840 -0.0601 1.2217 73DPPE H14Y 8826 0.696 5.088 3.738 2.9529 2.3947 0.8795 73DPPE C315 8827 0.886 5.032 3.799 0.1270 -0.2503 0.3601 73DPPE H15X 8828 0.859 5.063 3.902 1.6868 0.0959 0.6800 73DPPE H15Y 8829 0.946 5.118 3.763 -0.5005 -0.3008 -0.8574 73DPPE C316 8830 0.963 4.900 3.798 1.0582 0.2914 -0.5542 73DPPE H16X 8831 0.906 4.816 3.842 1.9657 0.6895 1.5007 73DPPE H16Y 8832 1.051 4.908 3.866 0.5896 0.6907 0.0099 73DPPE H16Z 8833 1.000 4.883 3.694 0.1704 0.4833 -0.9142 74DPPE N 8834 0.984 2.030 2.007 -0.4139 0.4137 -0.2282 74DPPE HN1 8835 0.886 2.011 2.035 -0.2561 3.3057 3.0106 74DPPE HN2 8836 0.980 2.127 1.968 -2.7013 0.0485 -1.0551 74DPPE HN3 8837 1.034 1.959 1.950 -2.8075 -1.0405 -0.6501 74DPPE C12 8838 1.078 2.027 2.125 -0.2053 -0.0446 -0.4038 74DPPE H12A 8839 1.177 2.017 2.076 -0.8561 2.0230 -2.3195 74DPPE H12B 8840 1.064 1.940 2.192 -4.5482 2.3391 2.2461 74DPPE C11 8841 1.069 2.151 2.214 0.8987 -0.1796 -0.0895 74DPPE H11A 8842 1.156 2.139 2.282 -0.7365 0.8415 2.3718 74DPPE H11B 8843 0.978 2.134 2.276 1.4339 0.1942 0.8133 74DPPE P 8844 1.115 2.397 2.242 0.5035 0.1388 0.1591 74DPPE O13 8845 1.062 2.525 2.191 0.9417 0.1670 -0.2373 74DPPE O14 8846 1.262 2.383 2.260 0.2678 -1.0687 1.2611 74DPPE O11 8847 1.041 2.371 2.381 0.1585 -0.1114 -0.0690 74DPPE O12 8848 1.065 2.278 2.148 -0.3280 0.1498 0.5851 74DPPE C1 8849 0.906 2.416 2.394 0.3172 0.5050 -0.4979 74DPPE HA 8850 0.841 2.341 2.444 -0.2287 0.6172 -1.0254 74DPPE HB 8851 0.850 2.415 2.298 -0.8915 -0.9027 0.1654 74DPPE C2 8852 0.917 2.562 2.441 -0.0498 0.4753 -0.3207 74DPPE HS 8853 0.954 2.633 2.364 1.4822 -1.2247 -1.2295 74DPPE O21 8854 1.003 2.562 2.555 -0.1148 0.2886 -0.2704 74DPPE C21 8855 1.035 2.684 2.597 0.0277 0.1760 -0.0507 74DPPE O22 8856 0.999 2.790 2.549 0.1072 0.1055 -0.2649 74DPPE C22 8857 1.135 2.668 2.711 0.1347 -0.0712 -0.1798 74DPPE H2R 8858 1.229 2.622 2.672 0.3991 2.1429 -2.4320 74DPPE H2S 8859 1.088 2.611 2.794 0.8284 -1.0667 -0.4484 74DPPE C3 8860 0.771 2.599 2.474 -0.0041 -0.0908 0.5628 74DPPE HX 8861 0.707 2.590 2.384 -0.6664 0.6045 0.9535 74DPPE HY 8862 0.768 2.708 2.495 0.0817 -0.2933 1.7027 74DPPE O31 8863 0.730 2.518 2.585 0.1237 -0.4627 0.3394 74DPPE C31 8864 0.604 2.476 2.586 -0.0075 -0.0858 -0.0145 74DPPE O32 8865 0.520 2.505 2.502 -0.1669 -0.0897 0.1429 74DPPE C32 8866 0.576 2.382 2.703 0.2158 -0.5084 -0.3009 74DPPE H2X 8867 0.622 2.416 2.798 0.3422 -1.5044 0.0088 74DPPE H2Y 8868 0.635 2.288 2.693 -0.0363 -0.7962 0.8057 74DPPE C23 8869 1.180 2.801 2.771 -0.3331 -0.1079 0.2590 74DPPE H3R 8870 1.099 2.877 2.765 1.7829 2.3213 0.6727 74DPPE H3S 8871 1.262 2.832 2.703 -1.5306 -1.3810 -1.8946 74DPPE C24 8872 1.243 2.789 2.910 -0.1273 -0.4421 0.1370 74DPPE H4R 8873 1.341 2.739 2.899 0.2328 0.1073 0.8098 74DPPE H4S 8874 1.192 2.716 2.976 -1.6101 -0.6353 -1.1517 74DPPE C25 8875 1.261 2.918 2.990 0.5644 -0.6464 0.3123 74DPPE H5R 8876 1.160 2.961 3.006 0.2308 -0.4534 -1.9581 74DPPE H5S 8877 1.316 2.999 2.936 -0.6337 1.7758 2.5029 74DPPE C26 8878 1.323 2.892 3.127 -0.5630 0.2095 0.9999 74DPPE H6R 8879 1.414 2.831 3.108 -1.0795 -0.4493 0.5745 74DPPE H6S 8880 1.254 2.824 3.183 -0.8346 -0.6815 -0.3731 74DPPE C27 8881 1.352 3.008 3.222 0.4210 0.5384 0.3017 74DPPE H7R 8882 1.248 3.022 3.257 0.5062 2.5010 -0.0691 74DPPE H7S 8883 1.385 3.100 3.168 0.4759 1.2664 1.5341 74DPPE C28 8884 1.444 2.974 3.339 0.7538 0.0711 -0.0920 74DPPE H8R 8885 1.546 2.959 3.297 1.8639 -3.3019 3.2481 74DPPE H8S 8886 1.417 2.872 3.373 -1.0116 0.1455 -1.1238 74DPPE C29 8887 1.451 3.075 3.454 0.0083 0.2815 -0.2255 74DPPE H9R 8888 1.499 3.160 3.399 1.2488 -1.3605 -1.8259 74DPPE H9S 8889 1.524 3.039 3.530 1.2746 1.0261 -1.0357 74DPPE C210 8890 1.318 3.111 3.519 0.0472 -0.4186 0.2514 74DPPE H10R 8891 1.257 3.178 3.455 -0.8891 -0.0185 1.5070 74DPPE H10S 8892 1.341 3.165 3.614 -2.3371 0.5994 0.3347 74DPPE C211 8893 1.232 2.992 3.561 0.1425 -0.7300 -0.4211 74DPPE H11R 8894 1.139 3.043 3.595 1.5027 0.1504 2.3356 74DPPE H11S 8895 1.215 2.920 3.478 0.8526 0.8755 -2.0222 74DPPE C212 8896 1.287 2.905 3.675 -0.5517 0.1959 0.6525 74DPPE H12R 8897 1.394 2.887 3.651 0.0300 -1.3404 3.9071 74DPPE H12S 8898 1.242 2.804 3.677 1.3753 -0.7215 0.3327 74DPPE C213 8899 1.280 2.970 3.813 -0.5048 0.3730 0.5718 74DPPE H13R 8900 1.178 3.012 3.828 -0.2518 1.1905 0.0977 74DPPE H13S 8901 1.352 3.055 3.811 0.7161 -0.6343 -1.2945 74DPPE C214 8902 1.321 2.877 3.927 0.4908 0.6865 0.4766 74DPPE H14R 8903 1.244 2.798 3.935 0.7641 -0.0770 -2.9431 74DPPE H14S 8904 1.319 2.929 4.025 0.8190 -1.1762 1.5238 74DPPE C215 8905 1.455 2.806 3.903 0.1600 0.3146 -0.2961 74DPPE H15R 8906 1.525 2.892 3.900 -0.2400 0.6380 -0.5339 74DPPE H15S 8907 1.456 2.761 3.801 -2.5797 -0.2063 -0.1775 74DPPE C216 8908 1.508 2.715 4.013 -1.2268 -0.2135 -0.0410 74DPPE H16R 8909 1.567 2.774 4.086 0.9619 -0.8194 -1.2230 74DPPE H16S 8910 1.586 2.653 3.963 -2.2105 -0.0514 -1.8600 74DPPE H16T 8911 1.425 2.654 4.054 -1.1512 0.2600 0.8345 74DPPE C33 8912 0.428 2.350 2.721 0.0780 0.2159 -0.1007 74DPPE H3X 8913 0.390 2.305 2.627 -2.0785 1.8032 -0.0566 74DPPE H3Y 8914 0.372 2.445 2.733 0.4401 0.6867 -1.8477 74DPPE C34 8915 0.411 2.242 2.829 0.0269 0.1884 -0.1359 74DPPE H4X 8916 0.487 2.162 2.817 1.4606 1.0246 2.7147 74DPPE H4Y 8917 0.311 2.207 2.796 0.5791 -0.9437 -0.6732 74DPPE C35 8918 0.395 2.299 2.969 0.3037 -0.4844 0.1745 74DPPE H5X 8919 0.326 2.233 3.026 -0.5797 -0.1309 -0.4585 74DPPE H5Y 8920 0.353 2.402 2.969 -0.0218 -0.5631 -2.1791 74DPPE C36 8921 0.522 2.288 3.054 0.1207 -0.1305 0.5014 74DPPE H6X 8922 0.611 2.299 2.988 -0.0606 0.8180 0.4047 74DPPE H6Y 8923 0.520 2.184 3.091 -0.4611 -0.3594 -0.1534 74DPPE C37 8924 0.528 2.382 3.175 0.3114 0.4745 0.0307 74DPPE H7X 8925 0.434 2.368 3.232 1.1295 0.2902 1.3724 74DPPE H7Y 8926 0.534 2.489 3.147 -1.3963 0.6035 0.0411 74DPPE C38 8927 0.646 2.347 3.265 0.5614 0.7146 -0.2011 74DPPE H8X 8928 0.738 2.373 3.209 1.2989 -1.7488 -0.2556 74DPPE H8Y 8929 0.660 2.238 3.282 2.7066 1.2279 1.9786 74DPPE C39 8930 0.653 2.427 3.396 0.2541 0.0252 0.2419 74DPPE H9X 8931 0.606 2.524 3.370 -0.2572 -0.7943 -2.1818 74DPPE H9Y 8932 0.763 2.434 3.410 0.1437 -0.1299 1.2391 74DPPE C310 8933 0.581 2.349 3.506 -0.0032 0.2482 0.2330 74DPPE H10X 8934 0.484 2.312 3.467 -0.6465 1.6523 0.4331 74DPPE H10Y 8935 0.549 2.422 3.583 -0.8316 1.0954 -0.8829 74DPPE C311 8936 0.673 2.256 3.585 -0.2155 -0.2770 -0.1311 74DPPE H11X 8937 0.759 2.312 3.629 -0.5128 0.9154 -1.0135 74DPPE H11Y 8938 0.697 2.177 3.511 0.8690 0.5265 -0.6652 74DPPE C312 8939 0.598 2.187 3.699 0.1035 -0.3487 0.0375 74DPPE H12X 8940 0.654 2.101 3.741 -0.5144 -0.3144 0.9573 74DPPE H12Y 8941 0.501 2.160 3.652 -1.2337 2.4005 0.9804 74DPPE C313 8942 0.566 2.279 3.817 -0.4709 -0.1861 -0.2433 74DPPE H13X 8943 0.503 2.366 3.789 2.1777 0.9809 -3.2544 74DPPE H13Y 8944 0.666 2.325 3.834 0.3362 -0.6815 -3.0612 74DPPE C314 8945 0.515 2.220 3.948 -0.3916 -0.3167 -0.2712 74DPPE H14X 8946 0.549 2.114 3.948 1.3555 0.1695 1.6246 74DPPE H14Y 8947 0.405 2.210 3.947 -0.5913 0.2760 -4.9228 74DPPE C315 8948 0.564 2.296 4.072 0.1661 0.0337 -0.7046 74DPPE H15X 8949 0.547 2.404 4.050 0.1850 0.2852 0.4520 74DPPE H15Y 8950 0.671 2.281 4.098 0.6929 1.9668 -1.4974 74DPPE C316 8951 0.489 2.280 4.204 0.3912 -0.1077 -0.5939 74DPPE H16X 8952 0.520 2.360 4.274 0.9389 0.4403 -1.4358 74DPPE H16Y 8953 0.525 2.194 4.265 -1.0906 0.1129 0.6261 74DPPE H16Z 8954 0.379 2.277 4.188 0.7132 -1.5905 -3.0118 75DPPE N 8955 2.426 4.146 2.329 -0.3063 -0.7439 0.2731 75DPPE HN1 8956 2.359 4.076 2.365 -0.7635 0.9139 2.8695 75DPPE HN2 8957 2.392 4.217 2.261 2.3067 -1.0980 -1.5620 75DPPE HN3 8958 2.506 4.104 2.276 0.4515 0.2707 0.5696 75DPPE C12 8959 2.485 4.224 2.444 0.0376 0.0896 -0.4562 75DPPE H12A 8960 2.397 4.277 2.486 1.0661 3.3059 -1.9595 75DPPE H12B 8961 2.530 4.155 2.518 -0.6476 1.0714 0.9144 75DPPE C11 8962 2.583 4.324 2.383 0.2798 0.2292 0.1530 75DPPE H11A 8963 2.676 4.273 2.349 1.0260 -0.1449 2.5952 75DPPE H11B 8964 2.613 4.389 2.468 0.3700 -0.4436 0.6334 75DPPE P 8965 2.630 4.501 2.211 0.1855 -0.4832 0.2731 75DPPE O13 8966 2.562 4.632 2.191 0.1835 -0.6465 -0.8366 75DPPE O14 8967 2.667 4.430 2.087 -0.3033 -0.5505 0.1608 75DPPE O11 8968 2.748 4.519 2.317 -0.1392 0.0370 0.5509 75DPPE O12 8969 2.522 4.409 2.285 -0.1901 -0.2309 0.0439 75DPPE C1 8970 2.879 4.564 2.283 -0.0855 -0.4409 0.1152 75DPPE HA 8971 2.925 4.624 2.365 0.0128 -1.2692 0.6736 75DPPE HB 8972 2.864 4.640 2.203 -3.2922 -2.0474 -0.9583 75DPPE C2 8973 2.975 4.456 2.232 -0.1602 -0.2783 -0.3753 75DPPE HS 8974 2.934 4.417 2.136 -0.5199 0.2573 -0.4413 75DPPE O21 8975 2.983 4.351 2.329 0.8981 0.3810 0.2719 75DPPE C21 8976 3.018 4.230 2.284 0.0483 0.2051 0.0681 75DPPE O22 8977 3.041 4.203 2.167 0.6955 0.0222 0.2331 75DPPE C22 8978 3.029 4.133 2.401 0.1047 0.1643 0.0292 75DPPE H2R 8979 3.079 4.042 2.363 0.5209 0.3503 0.1306 75DPPE H2S 8980 2.926 4.109 2.435 -0.2145 -1.1802 -1.7667 75DPPE C3 8981 3.112 4.519 2.202 -0.3673 0.3892 0.0711 75DPPE HX 8982 3.100 4.594 2.121 -0.2124 -2.3629 -2.6861 75DPPE HY 8983 3.183 4.446 2.158 -0.8285 -1.5316 2.2561 75DPPE O31 8984 3.163 4.581 2.321 0.8632 0.2073 -0.3418 75DPPE C31 8985 3.289 4.554 2.354 0.5249 -0.4001 0.5120 75DPPE O32 8986 3.371 4.484 2.297 0.5886 0.2714 -0.2395 75DPPE C32 8987 3.327 4.632 2.479 0.1122 -0.1624 0.4925 75DPPE H2X 8988 3.246 4.609 2.551 -1.1637 0.1123 -0.8022 75DPPE H2Y 8989 3.333 4.741 2.457 0.6886 -0.1505 0.6850 75DPPE C23 8990 3.113 4.194 2.513 -0.1360 -0.0152 0.3088 75DPPE H3R 8991 3.189 4.261 2.466 0.1164 0.2329 1.0472 75DPPE H3S 8992 3.172 4.114 2.564 0.0252 -2.8421 -3.8410 75DPPE C24 8993 3.017 4.265 2.608 0.1249 -0.2419 0.7465 75DPPE H4R 8994 2.953 4.200 2.671 0.9650 1.4052 3.5292 75DPPE H4S 8995 2.945 4.326 2.550 1.6969 0.8029 -0.1859 75DPPE C25 8996 3.086 4.362 2.704 -0.1651 0.5029 0.2129 75DPPE H5R 8997 3.011 4.394 2.779 -0.1727 -0.6604 0.7270 75DPPE H5S 8998 3.132 4.447 2.649 -0.8807 0.7368 -0.0268 75DPPE C26 8999 3.187 4.292 2.795 -0.2833 -0.0095 -0.0491 75DPPE H6R 9000 3.282 4.266 2.743 -0.4224 1.5749 -1.1751 75DPPE H6S 9001 3.151 4.190 2.822 -0.2433 -0.7181 -2.4190 75DPPE C27 9002 3.212 4.377 2.920 -0.0721 -0.0151 -0.0870 75DPPE H7R 9003 3.194 4.483 2.895 0.1345 -0.3881 -1.9748 75DPPE H7S 9004 3.318 4.380 2.953 -0.4319 1.6107 1.0525 75DPPE C28 9005 3.138 4.330 3.046 0.3819 0.1069 0.2287 75DPPE H8R 9006 3.031 4.316 3.020 0.4523 -0.7704 0.3625 75DPPE H8S 9007 3.130 4.411 3.121 -0.5174 -0.8119 1.1509 75DPPE C29 9008 3.197 4.202 3.104 -0.1993 -0.2685 0.0036 75DPPE H9R 9009 3.305 4.226 3.110 -1.0863 4.4857 0.4743 75DPPE H9S 9010 3.173 4.126 3.026 -0.6651 1.0634 -1.1813 75DPPE C210 9011 3.150 4.162 3.245 0.1817 -0.5978 0.0409 75DPPE H10R 9012 3.138 4.252 3.309 -1.1821 -1.2698 0.7632 75DPPE H10S 9013 3.214 4.091 3.301 0.6259 -0.5125 -0.3434 75DPPE C211 9014 3.014 4.092 3.248 0.0732 -0.3909 -0.0140 75DPPE H11R 9015 3.020 3.994 3.196 -1.5973 -0.2625 -0.5060 75DPPE H11S 9016 2.936 4.146 3.190 2.0466 1.1241 -1.4196 75DPPE C212 9017 2.969 4.078 3.393 -0.1129 0.5463 0.0263 75DPPE H12R 9018 3.008 4.155 3.462 -1.9040 2.3097 -0.8169 75DPPE H12S 9019 3.006 3.979 3.429 -2.5941 -0.1943 0.8150 75DPPE C213 9020 2.816 4.079 3.406 -0.1144 0.0497 0.0559 75DPPE H13R 9021 2.791 4.175 3.358 3.7265 0.8287 -0.7491 75DPPE H13S 9022 2.789 4.086 3.514 -0.8563 0.5597 -0.1567 75DPPE C214 9023 2.736 3.965 3.342 -0.3695 0.0244 0.4145 75DPPE H14R 9024 2.764 3.871 3.394 2.2801 -0.5648 -1.8456 75DPPE H14S 9025 2.752 3.959 3.232 2.1914 -2.4703 0.8028 75DPPE C215 9026 2.585 3.982 3.359 -0.4462 0.0484 -0.2591 75DPPE H15R 9027 2.550 4.060 3.288 0.6823 -0.2665 -1.1810 75DPPE H15S 9028 2.571 4.026 3.460 -0.1147 1.3789 -0.7686 75DPPE C216 9029 2.490 3.863 3.360 0.2308 -0.5016 -0.5483 75DPPE H16R 9030 2.527 3.789 3.434 0.0602 0.6198 0.6929 75DPPE H16S 9031 2.475 3.813 3.262 1.1710 -1.4652 -0.2157 75DPPE H16T 9032 2.391 3.900 3.395 0.5992 0.1076 -0.1328 75DPPE C33 9033 3.462 4.575 2.524 0.2983 -0.0537 0.0783 75DPPE H3X 9034 3.531 4.583 2.437 1.1749 -1.9545 0.5485 75DPPE H3Y 9035 3.436 4.469 2.543 0.6190 -0.5947 -2.2585 75DPPE C34 9036 3.522 4.650 2.644 -0.0178 0.5357 -0.1274 75DPPE H4X 9037 3.528 4.760 2.627 -2.8462 0.4446 -2.6359 75DPPE H4Y 9038 3.624 4.609 2.659 -0.3875 -0.3388 0.0680 75DPPE C35 9039 3.429 4.634 2.763 0.1976 0.2581 0.0036 75DPPE H5X 9040 3.411 4.524 2.770 1.2883 0.0350 -0.5234 75DPPE H5Y 9041 3.334 4.688 2.742 0.4097 0.3271 -0.7920 75DPPE C36 9042 3.497 4.688 2.889 0.0759 1.0871 -0.2804 75DPPE H6X 9043 3.518 4.795 2.870 -1.7951 1.7963 1.2760 75DPPE H6Y 9044 3.593 4.632 2.887 -0.9994 -0.8639 -2.4831 75DPPE C37 9045 3.425 4.658 3.021 0.2600 -0.0202 -0.4153 75DPPE H7X 9046 3.404 4.551 3.039 -0.0331 0.2574 0.9951 75DPPE H7Y 9047 3.330 4.716 3.016 -0.0457 -0.4334 0.3911 75DPPE C38 9048 3.504 4.716 3.138 -0.5797 0.0962 0.1093 75DPPE H8X 9049 3.511 4.827 3.124 -0.3775 0.6107 3.4468 75DPPE H8Y 9050 3.604 4.669 3.128 0.5373 1.9030 1.8714 75DPPE C39 9051 3.436 4.692 3.272 -0.5177 0.2605 0.1713 75DPPE H9X 9052 3.419 4.582 3.278 -2.8549 0.5602 0.0126 75DPPE H9Y 9053 3.334 4.736 3.283 -2.0838 -2.7231 -1.0699 75DPPE C310 9054 3.517 4.741 3.392 -0.2705 -0.6751 0.3981 75DPPE H10X 9055 3.539 4.848 3.372 -2.3964 -0.3317 -0.3601 75DPPE H10Y 9056 3.618 4.694 3.392 -0.1313 -0.4429 2.1550 75DPPE C311 9057 3.442 4.723 3.524 -0.4641 -0.3217 0.3392 75DPPE H11X 9058 3.419 4.617 3.547 -2.1462 -0.1941 -0.6198 75DPPE H11Y 9059 3.356 4.790 3.505 -0.3022 0.2897 1.6350 75DPPE C312 9060 3.523 4.775 3.642 0.0405 -0.2919 -0.0163 75DPPE H12X 9061 3.597 4.844 3.597 0.6752 -0.2400 1.0517 75DPPE H12Y 9062 3.585 4.688 3.674 1.0436 0.0598 -0.9468 75DPPE C313 9063 3.455 4.846 3.759 1.0879 -0.1191 0.5084 75DPPE H13X 9064 3.416 4.938 3.711 1.2309 -0.1716 0.2925 75DPPE H13Y 9065 3.532 4.877 3.832 -0.1856 0.2726 1.7434 75DPPE C314 9066 3.346 4.760 3.825 0.0327 0.6490 -0.1946 75DPPE H14X 9067 3.269 4.721 3.755 0.5821 -0.8187 -0.0316 75DPPE H14Y 9068 3.383 4.666 3.872 -1.9545 0.4366 1.0396 75DPPE C315 9069 3.268 4.849 3.922 -0.7107 0.2961 -0.4601 75DPPE H15X 9070 3.215 4.930 3.869 1.2736 2.1162 0.1889 75DPPE H15Y 9071 3.344 4.892 3.990 -2.0761 -0.2432 1.4997 75DPPE C316 9072 3.163 4.782 4.010 0.2341 -0.8248 -0.1605 75DPPE H16X 9073 3.077 4.749 3.949 0.4571 0.7637 -1.3967 75DPPE H16Y 9074 3.124 4.853 4.086 0.2029 -1.6772 0.6564 75DPPE H16Z 9075 3.214 4.694 4.056 -0.0429 -1.6766 -1.4193 76DPPE N 9076 2.100 3.396 2.561 -0.0548 0.1256 0.0236 76DPPE HN1 9077 2.014 3.343 2.536 -0.2881 0.0524 0.9400 76DPPE HN2 9078 2.123 3.338 2.645 -1.8528 0.1072 0.5407 76DPPE HN3 9079 2.071 3.485 2.605 -0.1450 -0.0374 0.2966 76DPPE C12 9080 2.214 3.407 2.463 -0.2103 -0.0012 -0.1717 76DPPE H12A 9081 2.185 3.484 2.388 -0.5131 -2.1922 -2.4553 76DPPE H12B 9082 2.308 3.418 2.521 -1.4454 0.9386 1.7561 76DPPE C11 9083 2.216 3.278 2.380 -0.1691 0.0864 -0.3073 76DPPE H11A 9084 2.318 3.274 2.336 0.5325 -2.4774 1.3211 76DPPE H11B 9085 2.133 3.292 2.307 -0.1765 0.2859 -0.2617 76DPPE P 9086 2.124 3.037 2.419 0.4181 0.0638 -0.2239 76DPPE O13 9087 2.190 2.985 2.298 0.3191 0.1741 -0.3252 76DPPE O14 9088 1.983 3.079 2.405 0.3843 0.0332 0.0173 76DPPE O11 9089 2.147 2.946 2.549 0.1459 -0.1705 -0.3402 76DPPE O12 9090 2.202 3.167 2.470 -0.2942 0.3897 0.0510 76DPPE C1 9091 2.278 2.933 2.605 -0.1463 0.0168 0.3877 76DPPE HA 9092 2.366 2.950 2.540 0.2928 0.8028 1.1740 76DPPE HB 9093 2.296 2.833 2.651 -0.0257 -0.8784 -1.4866 76DPPE C2 9094 2.305 3.026 2.724 0.1038 0.0234 0.3265 76DPPE HS 9095 2.332 3.129 2.691 0.8205 -0.4183 -0.5036 76DPPE O21 9096 2.404 2.960 2.803 0.5709 -0.0264 -0.2958 76DPPE C21 9097 2.479 3.039 2.881 0.1048 -0.2003 0.3341 76DPPE O22 9098 2.466 3.160 2.889 0.1319 -0.1450 -0.3654 76DPPE C22 9099 2.563 2.951 2.973 0.3821 0.2099 0.4755 76DPPE H2R 9100 2.648 2.913 2.914 -0.5429 -0.4149 -0.4938 76DPPE H2S 9101 2.497 2.869 3.011 0.5478 1.1293 2.9312 76DPPE C3 9102 2.175 3.035 2.806 0.3324 -0.5906 0.7613 76DPPE HX 9103 2.163 2.934 2.851 -1.0935 -0.3117 1.0431 76DPPE HY 9104 2.082 3.050 2.747 0.1418 0.2910 1.2756 76DPPE O31 9105 2.185 3.106 2.930 -0.2196 0.2537 0.3307 76DPPE C31 9106 2.176 3.237 2.904 -1.1508 0.1218 -0.0267 76DPPE O32 9107 2.158 3.284 2.793 -0.9617 0.2151 -0.0168 76DPPE C32 9108 2.189 3.310 3.037 0.3975 0.2398 -0.2287 76DPPE H2X 9109 2.268 3.252 3.089 0.8409 1.0079 -0.0404 76DPPE H2Y 9110 2.094 3.306 3.094 0.6474 1.7997 0.3435 76DPPE C23 9111 2.602 3.032 3.097 -0.0300 -0.1663 0.8563 76DPPE H3R 9112 2.514 3.076 3.148 -1.4522 0.8413 -2.2103 76DPPE H3S 9113 2.664 3.116 3.059 0.0048 -1.3078 -1.8145 76DPPE C24 9114 2.666 2.943 3.203 0.2536 -1.1569 -0.1353 76DPPE H4R 9115 2.771 2.930 3.168 0.0203 -0.4709 -1.1229 76DPPE H4S 9116 2.624 2.841 3.190 0.3572 -1.3204 0.7666 76DPPE C25 9117 2.679 3.003 3.343 0.5412 -0.5046 -0.4360 76DPPE H5R 9118 2.574 3.005 3.380 -0.1942 0.7708 -2.4306 76DPPE H5S 9119 2.717 3.107 3.338 -2.3693 0.8475 2.5703 76DPPE C26 9120 2.772 2.918 3.429 0.2357 0.0880 0.4913 76DPPE H6R 9121 2.867 2.902 3.374 0.7248 -0.8895 1.5689 76DPPE H6S 9122 2.740 2.812 3.443 0.7020 -0.3835 -1.6218 76DPPE C27 9123 2.806 2.983 3.563 0.5545 0.2631 0.3270 76DPPE H7R 9124 2.861 3.078 3.548 -1.4384 1.7099 1.7191 76DPPE H7S 9125 2.879 2.917 3.616 1.2768 1.7220 1.2072 76DPPE C28 9126 2.695 3.004 3.666 0.5816 -0.3630 0.4905 76DPPE H8R 9127 2.626 2.918 3.651 -0.8304 1.1777 -3.3460 76DPPE H8S 9128 2.625 3.084 3.633 3.0483 1.5103 -0.4524 76DPPE C29 9129 2.735 3.018 3.813 -0.2549 -0.1051 0.7020 76DPPE H9R 9130 2.800 3.107 3.803 -4.3328 3.3776 2.0947 76DPPE H9S 9131 2.791 2.936 3.863 -0.7048 -1.1832 -0.4765 76DPPE C210 9132 2.619 3.060 3.902 -0.5838 0.0349 0.2145 76DPPE H10R 9133 2.547 2.976 3.916 1.0051 -1.4859 -0.4509 76DPPE H10S 9134 2.564 3.137 3.843 1.3483 0.9444 -0.4562 76DPPE C211 9135 2.669 3.115 4.036 0.2215 -0.5377 0.1540 76DPPE H11R 9136 2.728 3.207 4.014 1.1475 -1.2897 -0.5839 76DPPE H11S 9137 2.733 3.040 4.087 1.2556 0.9510 1.1294 76DPPE C212 9138 2.553 3.157 4.127 0.4959 0.2771 0.1362 76DPPE H12R 9139 2.488 3.233 4.079 0.2516 0.2595 0.4446 76DPPE H12S 9140 2.594 3.218 4.210 1.8105 0.3170 -0.5056 76DPPE C213 9141 2.473 3.046 4.194 0.3706 0.2022 -0.1376 76DPPE H13R 9142 2.545 2.973 4.235 0.3085 0.4442 0.4016 76DPPE H13S 9143 2.404 2.989 4.128 -1.8183 0.5116 1.7537 76DPPE C214 9144 2.400 3.106 4.314 0.0685 -0.5638 0.0678 76DPPE H14R 9145 2.327 3.184 4.283 1.2466 0.4627 -0.1932 76DPPE H14S 9146 2.474 3.151 4.384 1.1751 -2.4263 0.1619 76DPPE C215 9147 2.309 3.014 4.396 -1.0552 0.5906 0.1536 76DPPE H15R 9148 2.295 3.069 4.491 -1.9993 -2.1197 1.7160 76DPPE H15S 9149 2.368 2.920 4.408 0.1635 1.2065 -0.7806 76DPPE C216 9150 2.177 2.975 4.329 -0.4659 0.8586 -1.2005 76DPPE H16R 9151 2.105 3.060 4.331 0.1171 1.3867 1.7819 76DPPE H16S 9152 2.128 2.893 4.385 2.8259 -0.5910 -0.2080 76DPPE H16T 9153 2.203 2.952 4.223 2.1971 -0.6191 -0.3199 76DPPE C33 9154 2.229 3.455 3.008 0.3751 0.3259 0.1676 76DPPE H3X 9155 2.157 3.518 2.952 -0.3390 -1.6339 -1.2449 76DPPE H3Y 9156 2.329 3.460 2.960 -0.1861 0.2693 -1.0497 76DPPE C34 9157 2.264 3.516 3.144 0.2077 -0.3296 0.5151 76DPPE H4X 9158 2.322 3.609 3.126 -0.9030 -0.0492 -2.2568 76DPPE H4Y 9159 2.324 3.441 3.199 -2.7880 -2.7047 0.7933 76DPPE C35 9160 2.153 3.587 3.222 -0.0817 0.6331 -0.7220 76DPPE H5X 9161 2.083 3.508 3.258 0.9532 0.0944 0.1780 76DPPE H5Y 9162 2.091 3.657 3.162 0.1932 -0.1158 -1.9218 76DPPE C36 9163 2.210 3.657 3.346 -0.4745 0.1654 -0.2728 76DPPE H6X 9164 2.193 3.766 3.336 -0.9325 0.0671 -0.6087 76DPPE H6Y 9165 2.317 3.631 3.357 -0.9000 -1.2229 1.0418 76DPPE C37 9166 2.158 3.604 3.480 -0.1687 -0.2484 -0.3166 76DPPE H7X 9167 2.151 3.493 3.484 0.4788 -0.2505 1.2812 76DPPE H7Y 9168 2.057 3.645 3.499 -1.0348 -2.6332 0.6467 76DPPE C38 9169 2.238 3.657 3.599 -0.1977 0.0009 -0.4083 76DPPE H8X 9170 2.285 3.752 3.565 0.7155 -0.6199 -0.9218 76DPPE H8Y 9171 2.316 3.583 3.625 1.2618 1.9390 1.0306 76DPPE C39 9172 2.153 3.674 3.725 0.2785 -0.0134 -0.0828 76DPPE H9X 9173 2.076 3.594 3.722 1.9637 -1.6524 -0.7442 76DPPE H9Y 9174 2.106 3.775 3.724 -1.4050 -0.7110 1.9387 76DPPE C310 9175 2.224 3.654 3.859 -0.5036 -0.1687 0.3170 76DPPE H10X 9176 2.282 3.560 3.843 2.1647 1.6489 -1.5490 76DPPE H10Y 9177 2.144 3.637 3.934 -1.6486 -2.5397 -1.3074 76DPPE C311 9178 2.323 3.762 3.900 0.4034 -0.5792 -0.7414 76DPPE H11X 9179 2.271 3.858 3.919 0.8715 -0.0997 -1.7499 76DPPE H11Y 9180 2.400 3.768 3.819 1.6333 -1.9117 0.2776 76DPPE C312 9181 2.403 3.728 4.026 -0.1241 0.4386 -0.1235 76DPPE H12X 9182 2.482 3.804 4.046 -1.1260 1.5624 -0.2956 76DPPE H12Y 9183 2.448 3.628 4.011 -1.0702 0.0422 -0.3941 76DPPE C313 9184 2.324 3.725 4.157 -0.1651 0.5467 -0.1452 76DPPE H13X 9185 2.263 3.633 4.150 2.3157 -1.1047 -1.4580 76DPPE H13Y 9186 2.255 3.812 4.161 -2.5678 -1.2380 -0.6103 76DPPE C314 9187 2.417 3.706 4.278 -0.1639 0.5068 -0.1524 76DPPE H14X 9188 2.482 3.617 4.266 -1.6734 -0.7143 0.4094 76DPPE H14Y 9189 2.492 3.784 4.302 1.1492 -0.2020 -1.7714 76DPPE C315 9190 2.334 3.688 4.405 0.3567 -0.2312 0.0864 76DPPE H15X 9191 2.274 3.594 4.399 1.3337 -0.8433 -0.2128 76DPPE H15Y 9192 2.255 3.766 4.412 -1.5090 -1.9151 -0.9905 76DPPE C316 9193 2.424 3.682 4.528 0.1604 -0.4397 0.2212 76DPPE H16X 9194 2.509 3.612 4.512 -0.0312 -1.1091 1.9444 76DPPE H16Y 9195 2.366 3.639 4.613 -2.0866 1.0480 -0.4828 76DPPE H16Z 9196 2.466 3.779 4.560 -1.0416 -0.0081 0.5347 77DPPE N 9197 1.369 1.281 2.779 0.6343 0.3884 0.6489 77DPPE HN1 9198 1.345 1.278 2.678 0.0993 3.4226 0.5976 77DPPE HN2 9199 1.365 1.379 2.811 0.5182 1.1195 -1.4510 77DPPE HN3 9200 1.459 1.230 2.795 0.0369 -0.3006 1.9589 77DPPE C12 9201 1.266 1.205 2.859 0.0705 0.0079 -0.4224 77DPPE H12A 9202 1.302 1.215 2.963 0.4456 -0.3472 -0.5162 77DPPE H12B 9203 1.275 1.098 2.829 -0.7219 -1.0342 2.7230 77DPPE C11 9204 1.124 1.261 2.847 -0.1997 -0.5238 0.2391 77DPPE H11A 9205 1.051 1.213 2.915 -1.7252 -0.7073 -1.4406 77DPPE H11B 9206 1.127 1.371 2.859 -0.5921 -0.3866 -0.7886 77DPPE P 9207 0.961 1.292 2.656 -0.6254 -0.0313 -0.1817 77DPPE O13 9208 0.941 1.262 2.513 -0.4103 -0.7338 -0.0686 77DPPE O14 9209 0.942 1.436 2.687 0.3820 0.0449 0.0973 77DPPE O11 9210 0.850 1.216 2.743 -0.6231 -0.1798 -0.3101 77DPPE O12 9211 1.095 1.225 2.712 0.0216 1.1521 -0.2749 77DPPE C1 9212 0.845 1.073 2.732 0.0611 -0.2053 -0.3079 77DPPE HA 9213 0.945 1.028 2.751 0.7494 1.6437 0.7705 77DPPE HB 9214 0.803 1.044 2.634 -5.1823 -3.8765 2.5300 77DPPE C2 9215 0.749 1.015 2.837 -0.1774 0.1501 -0.3292 77DPPE HS 9216 0.658 0.977 2.785 -1.7078 0.9187 1.6470 77DPPE O21 9217 0.715 1.104 2.944 0.1833 -0.1435 0.0334 77DPPE C21 9218 0.640 1.208 2.907 0.2233 -0.1674 -0.1186 77DPPE O22 9219 0.584 1.213 2.799 0.0738 0.7381 -0.0043 77DPPE C22 9220 0.638 1.321 3.009 0.2772 0.0785 -0.3907 77DPPE H2R 9221 0.538 1.363 3.032 0.8968 1.4884 -0.1663 77DPPE H2S 9222 0.710 1.401 2.980 0.7651 -0.1382 0.1975 77DPPE C3 9223 0.802 0.883 2.895 -0.5982 0.2845 0.3771 77DPPE HX 9224 0.852 0.825 2.814 0.2055 -0.6460 1.5012 77DPPE HY 9225 0.707 0.845 2.937 -0.9987 -0.2179 -0.9374 77DPPE O31 9226 0.897 0.895 3.001 -0.4969 0.2559 0.2904 77DPPE C31 9227 0.920 0.780 3.064 0.1021 0.2027 -0.0191 77DPPE O32 9228 0.865 0.674 3.040 0.1905 0.1442 0.0355 77DPPE C32 9229 1.016 0.793 3.181 0.2227 0.1937 -0.1172 77DPPE H2X 9230 1.117 0.779 3.136 0.0558 -2.1240 0.0996 77DPPE H2Y 9231 1.001 0.701 3.242 -0.1231 -0.0213 -0.5322 77DPPE C23 9232 0.704 1.277 3.139 -0.3890 -0.1101 -0.1110 77DPPE H3R 9233 0.808 1.244 3.118 -1.7044 -3.9544 -1.4170 77DPPE H3S 9234 0.644 1.195 3.183 1.0598 -1.6736 -0.9207 77DPPE C24 9235 0.708 1.395 3.237 -0.1703 0.3102 -0.6218 77DPPE H4R 9236 0.606 1.432 3.258 0.6043 2.8082 -0.9914 77DPPE H4S 9237 0.777 1.475 3.202 0.3708 -0.6835 -1.9103 77DPPE C25 9238 0.772 1.336 3.363 -1.0240 0.4704 -0.1038 77DPPE H5R 9239 0.858 1.270 3.336 -0.6061 1.3571 -1.0117 77DPPE H5S 9240 0.687 1.287 3.414 -1.2791 -0.4007 -1.3369 77DPPE C26 9241 0.839 1.442 3.450 -0.0848 -0.0925 -0.1239 77DPPE H6R 9242 0.768 1.521 3.483 0.1824 -0.4761 1.4540 77DPPE H6S 9243 0.927 1.477 3.392 -1.6574 1.7075 -1.5628 77DPPE C27 9244 0.890 1.379 3.580 0.4947 0.0496 -0.2782 77DPPE H7R 9245 0.974 1.311 3.558 -1.6502 -2.7862 -0.2884 77DPPE H7S 9246 0.804 1.322 3.622 0.6938 0.8509 1.3093 77DPPE C28 9247 0.952 1.486 3.670 -0.2523 0.2180 0.0480 77DPPE H8R 9248 0.902 1.583 3.650 -0.7574 -0.2572 -1.0504 77DPPE H8S 9249 1.055 1.495 3.630 -0.1876 0.9201 0.3597 77DPPE C29 9250 0.962 1.441 3.816 0.2255 0.4356 0.0871 77DPPE H9R 9251 0.994 1.335 3.808 2.3400 1.0860 -0.6057 77DPPE H9S 9252 0.857 1.440 3.854 -0.1718 -1.5087 -0.9363 77DPPE C210 9253 1.069 1.509 3.901 0.5421 -0.2903 0.2799 77DPPE H10R 9254 1.031 1.608 3.936 -0.2177 -0.4130 -0.1806 77DPPE H10S 9255 1.157 1.547 3.844 -1.3084 3.7352 -0.2546 77DPPE C211 9256 1.110 1.425 4.022 0.4303 -0.3559 0.2719 77DPPE H11R 9257 1.144 1.324 3.990 1.3705 -0.3167 1.1091 77DPPE H11S 9258 1.020 1.410 4.086 0.4667 0.2502 0.4677 77DPPE C212 9259 1.219 1.487 4.109 0.5843 -0.8867 0.4582 77DPPE H12R 9260 1.225 1.423 4.199 -2.6023 2.2415 3.1819 77DPPE H12S 9261 1.196 1.586 4.153 2.5783 -1.0859 2.1191 77DPPE C213 9262 1.352 1.517 4.039 0.5410 -0.4054 0.5811 77DPPE H13R 9263 1.353 1.506 3.929 2.2234 -0.6726 0.5970 77DPPE H13S 9264 1.427 1.443 4.075 0.2595 -0.6800 0.6023 77DPPE C214 9265 1.420 1.647 4.084 -0.1738 0.1185 0.1682 77DPPE H14R 9266 1.423 1.653 4.195 -0.9558 0.6491 0.1648 77DPPE H14S 9267 1.358 1.738 4.069 3.3800 2.6366 -0.4634 77DPPE C215 9268 1.554 1.665 4.013 -0.0812 -0.9579 0.0494 77DPPE H15R 9269 1.533 1.683 3.905 -1.5753 0.4602 0.5456 77DPPE H15S 9270 1.613 1.572 4.030 1.2260 -0.1207 0.2169 77DPPE C216 9271 1.644 1.772 4.074 -0.6639 -0.0242 -0.7042 77DPPE H16R 9272 1.594 1.870 4.057 0.7373 0.6134 -1.3188 77DPPE H16S 9273 1.736 1.784 4.012 -1.1800 1.8107 -1.1782 77DPPE H16T 9274 1.666 1.766 4.183 -3.1965 -0.2223 -0.1390 77DPPE C33 9275 0.994 0.920 3.263 -0.0192 -0.3189 0.6204 77DPPE H3X 9276 0.888 0.935 3.292 0.0107 -2.3545 1.9708 77DPPE H3Y 9277 1.028 1.006 3.201 2.2292 -0.1108 2.0343 77DPPE C34 9278 1.063 0.940 3.398 -0.4769 0.4795 0.7431 77DPPE H4X 9279 1.032 1.032 3.453 -2.1129 1.3892 -1.5517 77DPPE H4Y 9280 1.022 0.853 3.453 -0.4204 0.6208 1.0167 77DPPE C35 9281 1.214 0.916 3.410 -0.5049 -0.0468 0.0691 77DPPE H5X 9282 1.266 0.992 3.349 0.7742 -0.5826 0.4608 77DPPE H5Y 9283 1.216 0.816 3.362 -1.7436 -0.8098 1.5026 77DPPE C36 9284 1.280 0.908 3.548 0.0789 0.3165 -0.1884 77DPPE H6X 9285 1.388 0.887 3.534 -0.4028 -1.2010 -1.9583 77DPPE H6Y 9286 1.245 0.824 3.611 2.1240 -0.0464 0.5376 77DPPE C37 9287 1.254 1.032 3.635 0.2255 0.1916 0.0341 77DPPE H7X 9288 1.146 1.052 3.650 -0.3464 -3.0064 0.9473 77DPPE H7Y 9289 1.287 1.130 3.595 -1.1464 0.4963 -0.3965 77DPPE C38 9290 1.320 0.999 3.769 -0.4581 -0.0133 0.3224 77DPPE H8X 9291 1.422 0.976 3.733 -1.0736 -0.4319 -1.2587 77DPPE H8Y 9292 1.287 0.905 3.818 1.1927 -1.2129 -0.7450 77DPPE C39 9293 1.335 1.114 3.869 0.5307 0.1987 -0.0608 77DPPE H9X 9294 1.230 1.125 3.904 1.4290 1.2479 2.4800 77DPPE H9Y 9295 1.380 1.198 3.811 0.4544 -0.8093 -1.6611 77DPPE C310 9296 1.415 1.061 3.988 -0.4449 -0.5780 0.2634 77DPPE H10X 9297 1.508 1.008 3.961 -0.6908 -0.5571 -0.6602 77DPPE H10Y 9298 1.360 0.974 4.029 -1.7469 -0.8859 -1.9780 77DPPE C311 9299 1.441 1.174 4.088 0.6873 -0.3446 -0.2726 77DPPE H11X 9300 1.339 1.218 4.103 -0.5699 -3.2112 0.3032 77DPPE H11Y 9301 1.509 1.250 4.044 0.3943 0.6865 0.9993 77DPPE C312 9302 1.491 1.134 4.227 -0.3205 -1.4237 -0.2033 77DPPE H12X 9303 1.412 1.073 4.276 0.2876 -0.5214 2.0250 77DPPE H12Y 9304 1.511 1.226 4.285 -0.0038 -2.6911 1.7925 77DPPE C313 9305 1.627 1.065 4.217 0.1232 -0.4990 -0.6632 77DPPE H13X 9306 1.608 0.966 4.169 0.3775 -0.7558 -0.2381 77DPPE H13Y 9307 1.664 1.040 4.318 0.7343 0.7079 -0.5688 77DPPE C314 9308 1.740 1.152 4.160 0.0711 0.5014 0.7254 77DPPE H14X 9309 1.767 1.236 4.228 0.4598 1.8787 -1.0800 77DPPE H14Y 9310 1.703 1.205 4.070 -2.0360 -2.5099 -0.3487 77DPPE C315 9311 1.859 1.062 4.127 -0.4179 0.1924 -0.2079 77DPPE H15X 9312 1.826 0.980 4.059 0.4314 -2.0007 1.8929 77DPPE H15Y 9313 1.877 1.004 4.220 -1.4132 -0.6891 -0.5308 77DPPE C316 9314 1.992 1.121 4.084 -0.2704 -0.2448 -0.3634 77DPPE H16X 9315 2.020 1.228 4.099 0.4424 -0.1007 -2.3390 77DPPE H16Y 9316 2.003 1.125 3.973 1.5423 0.6560 -0.2021 77DPPE H16Z 9317 2.074 1.066 4.135 -0.3286 0.4284 0.4804 78DPPE N 9318 0.670 5.966 2.446 -0.6354 -0.4214 -0.1563 78DPPE HN1 9319 0.701 5.867 2.434 -0.7061 -0.9160 2.9399 78DPPE HN2 9320 0.626 5.999 2.357 0.9971 1.0239 -0.4859 78DPPE HN3 9321 0.756 6.024 2.441 -0.9927 0.1304 -0.0584 78DPPE C12 9322 0.574 5.988 2.560 0.1936 -0.1963 0.5108 78DPPE H12A 9323 0.607 5.925 2.645 -2.2025 -1.9882 0.2431 78DPPE H12B 9324 0.484 5.939 2.515 0.6730 1.0699 -2.0603 78DPPE C11 9325 0.549 6.135 2.593 0.4686 0.1266 -0.6391 78DPPE H11A 9326 0.636 6.195 2.558 0.9110 -0.0267 0.1561 78DPPE H11B 9327 0.534 6.154 2.702 -0.9290 3.0843 -1.2275 78DPPE P 9328 0.407 6.342 2.496 0.0513 -0.1161 -0.0284 78DPPE O13 9329 0.263 6.366 2.472 0.0230 -0.1525 0.1037 78DPPE O14 9330 0.496 6.399 2.393 0.1932 -0.3909 -0.0581 78DPPE O11 9331 0.445 6.404 2.639 -0.2826 0.2158 -0.0831 78DPPE O12 9332 0.436 6.187 2.524 -0.0711 -0.1273 0.0391 78DPPE C1 9333 0.347 6.381 2.741 0.1695 -0.8674 0.1141 78DPPE HA 9334 0.301 6.280 2.737 1.1605 -1.5197 2.7288 78DPPE HB 9335 0.260 6.447 2.722 0.0960 -1.2594 -0.9916 78DPPE C2 9336 0.408 6.405 2.880 -0.1970 -0.1104 0.1493 78DPPE HS 9337 0.465 6.499 2.864 -1.2580 0.8355 1.6524 78DPPE O21 9338 0.498 6.295 2.900 0.2592 0.2217 -0.0672 78DPPE C21 9339 0.598 6.332 2.979 0.0976 0.0869 0.1998 78DPPE O22 9340 0.613 6.442 3.030 0.3032 -0.1762 0.7253 78DPPE C22 9341 0.688 6.210 2.993 -0.1988 -0.1741 -0.1506 78DPPE H2R 9342 0.779 6.232 2.933 -0.2071 0.5123 0.0783 78DPPE H2S 9343 0.633 6.120 2.958 -0.5101 -0.8571 1.9221 78DPPE C3 9344 0.300 6.439 2.984 0.1067 -0.4176 0.5670 78DPPE HX 9345 0.258 6.531 2.939 -2.5962 -1.6821 0.3036 78DPPE HY 9346 0.343 6.485 3.076 -1.7167 1.3681 0.5841 78DPPE O31 9347 0.202 6.338 3.011 -0.0432 -0.2089 0.8097 78DPPE C31 9348 0.077 6.384 3.014 0.0351 0.0313 0.5209 78DPPE O32 9349 0.048 6.500 2.992 -0.1546 -0.1147 0.0006 78DPPE C32 9350 -0.019 6.274 3.059 -0.5077 0.3443 0.1433 78DPPE H2X 9351 0.025 6.231 3.152 0.9338 -3.5838 -2.1009 78DPPE H2Y 9352 -0.027 6.192 2.984 2.9687 -0.6792 0.7395 78DPPE C23 9353 0.743 6.195 3.135 -0.0301 -0.3864 -0.2363 78DPPE H3R 9354 0.666 6.160 3.207 -1.0886 1.0048 -0.6339 78DPPE H3S 9355 0.777 6.293 3.176 -3.2871 -0.2053 2.5134 78DPPE C24 9356 0.871 6.112 3.137 0.5957 0.5604 -0.0107 78DPPE H4R 9357 0.963 6.163 3.102 2.2210 -2.6922 -0.9632 78DPPE H4S 9358 0.855 6.025 3.069 -1.2462 -0.1703 1.2613 78DPPE C25 9359 0.900 6.066 3.280 0.3421 0.4506 0.0071 78DPPE H5R 9360 0.959 5.973 3.270 -0.5097 -0.1348 0.3650 78DPPE H5S 9361 0.805 6.059 3.337 0.3796 0.9025 0.1269 78DPPE C26 9362 0.994 6.171 3.339 0.1991 0.4129 0.3102 78DPPE H6R 9363 0.946 6.270 3.326 -0.7738 -0.2221 -1.1736 78DPPE H6S 9364 1.096 6.164 3.296 0.1067 -0.2110 0.1856 78DPPE C27 9365 1.020 6.155 3.489 -0.1217 -0.2680 0.2951 78DPPE H7R 9366 0.921 6.140 3.538 -0.7537 1.0259 -0.5158 78DPPE H7S 9367 1.070 6.249 3.522 5.0133 -2.1689 -1.1582 78DPPE C28 9368 1.108 6.033 3.516 0.6878 0.1175 -0.5370 78DPPE H8R 9369 1.195 6.030 3.448 0.2347 0.0471 -1.1204 78DPPE H8S 9370 1.051 5.938 3.521 -2.3162 1.7964 -0.6241 78DPPE C29 9371 1.150 6.045 3.663 -0.4139 -0.1320 -0.1923 78DPPE H9R 9372 1.056 6.058 3.722 0.1572 0.6980 0.5609 78DPPE H9S 9373 1.232 6.119 3.676 1.4789 -2.0895 -0.3274 78DPPE C210 9374 1.229 5.927 3.721 0.0717 0.0154 -0.5518 78DPPE H10R 9375 1.316 5.917 3.653 0.2864 0.5693 -0.3620 78DPPE H10S 9376 1.157 5.844 3.705 0.3259 -0.3870 0.3273 78DPPE C211 9377 1.277 5.940 3.865 0.0589 -0.4296 -0.5055 78DPPE H11R 9378 1.178 5.938 3.916 -0.7199 2.0138 -1.7626 78DPPE H11S 9379 1.310 6.042 3.894 -1.8798 -0.0810 0.6987 78DPPE C212 9380 1.378 5.843 3.925 0.4733 0.5162 0.3650 78DPPE H12R 9381 1.484 5.862 3.898 1.0346 -0.6189 1.6506 78DPPE H12S 9382 1.356 5.736 3.902 1.4776 0.3538 0.0773 78DPPE C213 9383 1.385 5.849 4.078 0.4073 -0.1560 0.3989 78DPPE H13R 9384 1.290 5.798 4.104 2.1715 -3.7142 0.4529 78DPPE H13S 9385 1.391 5.957 4.102 -1.1807 -0.2153 1.1973 78DPPE C214 9386 1.512 5.790 4.138 0.5291 -0.5192 -0.2089 78DPPE H14R 9387 1.593 5.856 4.101 0.3596 -1.3029 -2.0697 78DPPE H14S 9388 1.541 5.692 4.092 2.5905 -0.1169 0.1107 78DPPE C215 9389 1.529 5.795 4.290 0.3266 -0.1533 -0.1980 78DPPE H15R 9390 1.442 5.750 4.344 0.1405 1.3365 0.7876 78DPPE H15S 9391 1.530 5.903 4.315 -1.9098 -0.7156 2.9641 78DPPE C216 9392 1.658 5.724 4.332 0.5381 0.3766 0.0479 78DPPE H16R 9393 1.656 5.618 4.301 -2.3295 1.0846 -2.8362 78DPPE H16S 9394 1.666 5.736 4.442 -3.2926 1.0854 0.3923 78DPPE H16T 9395 1.742 5.783 4.289 0.9101 -0.6527 -0.6838 78DPPE C33 9396 -0.147 6.351 3.090 -0.3591 0.3609 0.7241 78DPPE H3X 9397 -0.175 6.369 2.984 1.8939 -3.7935 -0.7869 78DPPE H3Y 9398 -0.137 6.450 3.139 -1.1285 1.2301 -0.7900 78DPPE C34 9399 -0.260 6.282 3.167 -0.3435 -0.4673 0.0191 78DPPE H4X 9400 -0.227 6.247 3.267 -0.7567 -0.4296 0.1750 78DPPE H4Y 9401 -0.299 6.200 3.103 0.8659 -1.3290 0.3685 78DPPE C35 9402 -0.366 6.388 3.199 -0.0350 -0.1364 -0.0572 78DPPE H5X 9403 -0.470 6.362 3.172 -0.5750 2.3593 -0.6318 78DPPE H5Y 9404 -0.359 6.477 3.134 -1.7635 0.1515 0.1070 78DPPE C36 9405 -0.365 6.438 3.344 -0.3465 0.1062 -0.1375 78DPPE H6X 9406 -0.440 6.516 3.369 -0.4748 0.7400 -2.3326 78DPPE H6Y 9407 -0.263 6.477 3.367 0.4202 -2.5400 1.3858 78DPPE C37 9408 -0.387 6.327 3.448 0.2410 0.1987 0.0892 78DPPE H7X 9409 -0.305 6.252 3.445 -0.3520 -0.6165 2.4902 78DPPE H7Y 9410 -0.481 6.274 3.423 0.2939 -0.5216 1.3620 78DPPE C38 9411 -0.401 6.366 3.595 -0.1891 0.5977 -0.0548 78DPPE H8X 9412 -0.404 6.282 3.667 -2.0133 0.7055 0.0345 78DPPE H8Y 9413 -0.491 6.430 3.607 0.0031 0.6762 1.0343 78DPPE C39 9414 -0.279 6.446 3.643 0.1004 0.0488 0.1266 78DPPE H9X 9415 -0.278 6.540 3.584 1.0962 -0.2096 -0.3033 78DPPE H9Y 9416 -0.178 6.400 3.634 0.6955 1.2300 0.6757 78DPPE C310 9417 -0.302 6.498 3.785 -0.5267 -0.6452 0.2819 78DPPE H10X 9418 -0.277 6.422 3.862 0.4290 -1.1120 -0.4713 78DPPE H10Y 9419 -0.409 6.529 3.784 -0.7067 -1.2204 -0.7187 78DPPE C311 9420 -0.227 6.629 3.808 0.2267 -1.0380 0.0825 78DPPE H11X 9421 -0.290 6.710 3.767 -0.7349 -1.4839 0.6518 78DPPE H11Y 9422 -0.137 6.634 3.742 0.0282 -0.5655 -0.1592 78DPPE C312 9423 -0.188 6.659 3.953 0.2327 -0.6726 0.0054 78DPPE H12X 9424 -0.137 6.757 3.957 0.3865 -0.7785 0.6312 78DPPE H12Y 9425 -0.111 6.586 3.985 0.4857 0.2252 1.5312 78DPPE C313 9426 -0.309 6.659 4.046 0.0030 0.4754 -0.2795 78DPPE H13X 9427 -0.341 6.553 4.055 -1.4784 0.8335 -1.0582 78DPPE H13Y 9428 -0.391 6.717 3.997 -1.0641 -0.9281 -0.2176 78DPPE C314 9429 -0.274 6.704 4.188 -0.4558 0.3074 -0.1110 78DPPE H14X 9430 -0.234 6.807 4.193 -0.2923 0.2425 -0.0459 78DPPE H14Y 9431 -0.199 6.627 4.218 -1.8118 -0.2679 2.0656 78DPPE C315 9432 -0.394 6.680 4.281 -0.4968 0.4053 -0.1391 78DPPE H15X 9433 -0.447 6.587 4.254 -1.9931 0.5123 2.2187 78DPPE H15Y 9434 -0.468 6.762 4.265 -0.7475 -0.0391 -1.3857 78DPPE C316 9435 -0.363 6.687 4.430 -0.1492 -0.1613 -0.1829 78DPPE H16X 9436 -0.290 6.770 4.444 -0.1174 -0.0105 -1.1944 78DPPE H16Y 9437 -0.314 6.594 4.467 -0.9776 -0.1502 0.9856 78DPPE H16Z 9438 -0.456 6.710 4.485 -0.2739 2.4790 -1.3247 79DPPE N 9439 4.294 3.056 2.107 0.0906 -0.0718 0.0856 79DPPE HN1 9440 4.269 2.967 2.059 -0.0016 0.2541 -0.4796 79DPPE HN2 9441 4.309 3.126 2.031 1.2021 0.5186 0.8190 79DPPE HN3 9442 4.390 3.044 2.146 0.1999 0.4611 -0.0151 79DPPE C12 9443 4.187 3.100 2.203 0.3099 -0.4691 0.5160 79DPPE H12A 9444 4.236 3.180 2.263 1.5268 0.0746 -1.1410 79DPPE H12B 9445 4.111 3.147 2.138 1.0513 -1.5260 -1.1763 79DPPE C11 9446 4.139 2.985 2.292 -0.7686 -0.4453 -0.0206 79DPPE H11A 9447 4.056 3.032 2.349 0.3856 1.0559 0.4680 79DPPE H11B 9448 4.220 2.955 2.362 -0.0918 0.6742 -0.2927 79DPPE P 9449 3.944 2.853 2.203 -0.1341 -0.3229 0.1030 79DPPE O13 9450 3.928 2.731 2.120 -0.1754 -0.0849 -0.2430 79DPPE O14 9451 3.877 2.979 2.163 0.6473 0.1020 0.1044 79DPPE O11 9452 3.919 2.823 2.358 0.0680 -0.0607 0.1883 79DPPE O12 9453 4.102 2.878 2.204 -0.0992 -0.5245 -0.2120 79DPPE C1 9454 3.976 2.698 2.398 -0.0145 -0.0512 0.3367 79DPPE HA 9455 4.084 2.713 2.415 0.2646 0.3897 -1.5995 79DPPE HB 9456 3.964 2.614 2.326 1.9776 0.4318 -0.6203 79DPPE C2 9457 3.908 2.636 2.521 0.1812 0.0075 0.4743 79DPPE HS 9458 3.821 2.574 2.490 -0.3732 0.5088 1.0036 79DPPE O21 9459 3.859 2.733 2.614 0.0290 0.4134 -0.0262 79DPPE C21 9460 3.730 2.761 2.596 -0.0641 0.2004 0.3111 79DPPE O22 9461 3.661 2.729 2.500 -0.0389 0.4460 0.2099 79DPPE C22 9462 3.682 2.837 2.718 -0.1620 0.6635 -0.0143 79DPPE H2R 9463 3.682 2.946 2.694 1.6946 0.2814 -1.9642 79DPPE H2S 9464 3.746 2.824 2.808 2.0839 2.5054 -1.2327 79DPPE C3 9465 4.001 2.530 2.581 -0.0904 -0.6194 -0.2002 79DPPE HX 9466 4.099 2.572 2.613 -1.0152 0.9842 0.6163 79DPPE HY 9467 4.015 2.473 2.486 -1.9487 -0.8467 -0.3743 79DPPE O31 9468 3.934 2.462 2.687 0.4448 -0.9328 -0.0536 79DPPE C31 9469 3.850 2.361 2.662 -0.1700 -0.2851 -0.6773 79DPPE O32 9470 3.792 2.342 2.557 -0.8951 -0.2180 -0.2923 79DPPE C32 9471 3.828 2.287 2.793 -0.1794 0.1080 -0.4564 79DPPE H2X 9472 3.917 2.290 2.859 -0.6642 -1.9754 0.3599 79DPPE H2Y 9473 3.815 2.184 2.755 1.9531 -0.8302 1.1853 79DPPE C23 9474 3.535 2.812 2.756 -0.1101 -0.0688 -0.2825 79DPPE H3R 9475 3.539 2.713 2.804 0.0915 -0.5945 -1.3581 79DPPE H3S 9476 3.480 2.808 2.659 -2.8826 -0.1316 1.2081 79DPPE C24 9477 3.476 2.917 2.851 -0.0322 -0.4334 0.1687 79DPPE H4R 9478 3.369 2.892 2.865 -0.2451 0.6419 0.5463 79DPPE H4S 9479 3.494 3.018 2.808 -0.8998 -0.1901 0.3782 79DPPE C25 9480 3.543 2.933 2.988 -0.0674 -0.2778 0.1681 79DPPE H5R 9481 3.645 2.975 2.972 -0.9568 2.3355 1.0087 79DPPE H5S 9482 3.559 2.827 3.019 -0.8272 -0.4458 0.0118 79DPPE C26 9483 3.462 3.004 3.096 0.1005 0.3731 -0.1267 79DPPE H6R 9484 3.360 2.961 3.106 -0.8442 2.2330 -1.3134 79DPPE H6S 9485 3.455 3.111 3.070 2.5313 0.6762 0.2044 79DPPE C27 9486 3.534 3.000 3.232 0.0328 0.3677 -0.0907 79DPPE H7R 9487 3.637 3.041 3.233 -0.4724 1.7073 0.9749 79DPPE H7S 9488 3.541 2.891 3.248 -1.0682 -0.0021 -1.8622 79DPPE C28 9489 3.452 3.062 3.346 -0.3961 -0.6517 0.1650 79DPPE H8R 9490 3.347 3.028 3.340 -1.0733 1.4916 -1.0097 79DPPE H8S 9491 3.461 3.172 3.332 2.0414 -0.9243 -1.0023 79DPPE C29 9492 3.495 3.014 3.485 0.5090 0.1243 0.1708 79DPPE H9R 9493 3.490 2.903 3.472 -2.5865 -0.1246 2.1836 79DPPE H9S 9494 3.416 3.029 3.562 -0.7475 1.2543 -1.2696 79DPPE C210 9495 3.634 3.053 3.534 0.6522 -0.0959 -0.0573 79DPPE H10R 9496 3.636 3.161 3.562 -0.4470 -0.7916 3.0871 79DPPE H10S 9497 3.708 3.031 3.454 2.0104 1.5138 0.6948 79DPPE C211 9498 3.673 2.960 3.649 0.1170 -0.5422 -0.2309 79DPPE H11R 9499 3.694 2.855 3.620 2.2298 -0.2909 0.2250 79DPPE H11S 9500 3.598 2.973 3.730 0.1753 -2.6095 0.1949 79DPPE C212 9501 3.813 2.981 3.707 0.2196 -0.3468 -0.5440 79DPPE H12R 9502 3.897 2.952 3.641 -0.5365 1.1038 -2.2141 79DPPE H12S 9503 3.809 2.913 3.795 -0.3284 -0.8322 -0.9424 79DPPE C213 9504 3.845 3.123 3.755 0.1407 -0.4907 -0.0612 79DPPE H13R 9505 3.778 3.204 3.721 -1.8232 -0.9680 2.3697 79DPPE H13S 9506 3.951 3.142 3.730 0.1993 1.3246 1.3345 79DPPE C214 9507 3.838 3.132 3.908 -0.5104 -0.6429 -0.0786 79DPPE H14R 9508 3.903 3.193 3.974 1.2411 -3.1906 0.7204 79DPPE H14S 9509 3.848 3.028 3.947 1.9205 -0.4412 -0.0034 79DPPE C215 9510 3.701 3.176 3.960 -0.2200 0.5030 -0.2621 79DPPE H15R 9511 3.611 3.118 3.929 1.3030 -3.4173 2.0636 79DPPE H15S 9512 3.688 3.283 3.931 0.2258 0.6152 -0.0518 79DPPE C216 9513 3.711 3.169 4.112 -0.0602 -0.8405 -0.3229 79DPPE H16R 9514 3.763 3.262 4.143 -1.7077 -0.3819 1.2553 79DPPE H16S 9515 3.746 3.072 4.152 -2.2537 -1.6939 -0.2941 79DPPE H16T 9516 3.611 3.194 4.154 -0.7370 1.9289 -3.1719 79DPPE C33 9517 3.696 2.334 2.856 -0.0987 -0.4035 0.1045 79DPPE H3X 9518 3.666 2.245 2.915 -0.2855 -0.4441 -0.0500 79DPPE H3Y 9519 3.622 2.361 2.777 -0.5766 0.4352 0.8201 79DPPE C34 9520 3.711 2.461 2.941 0.0074 -0.4880 0.2126 79DPPE H4X 9521 3.734 2.554 2.885 -0.4391 -0.0949 0.6671 79DPPE H4Y 9522 3.800 2.451 3.006 0.4165 -1.1051 -0.4211 79DPPE C35 9523 3.588 2.494 3.025 -0.1569 0.0754 -0.2431 79DPPE H5X 9524 3.540 2.403 3.066 -2.6056 0.9433 -1.0133 79DPPE H5Y 9525 3.512 2.546 2.962 -1.8195 -0.5665 1.1416 79DPPE C36 9526 3.634 2.577 3.145 0.1616 -0.1510 -0.2098 79DPPE H6X 9527 3.568 2.663 3.168 -0.5784 -0.4243 -1.2634 79DPPE H6Y 9528 3.736 2.615 3.121 0.2161 0.7254 1.2978 79DPPE C37 9529 3.635 2.480 3.264 -0.5419 -0.1974 -0.2368 79DPPE H7X 9530 3.683 2.380 3.254 -2.7583 -1.6183 2.1065 79DPPE H7Y 9531 3.529 2.464 3.290 -0.9587 -0.2699 -1.8418 79DPPE C38 9532 3.699 2.553 3.382 -0.0280 0.1298 -0.7095 79DPPE H8X 9533 3.658 2.656 3.397 -1.7510 -0.2878 -2.2492 79DPPE H8Y 9534 3.808 2.571 3.370 0.3186 -0.5841 1.0361 79DPPE C39 9535 3.684 2.474 3.512 -0.3015 0.3737 -0.5889 79DPPE H9X 9536 3.763 2.489 3.589 -0.6953 1.2340 -0.3490 79DPPE H9Y 9537 3.690 2.366 3.484 2.2962 0.5651 -1.0645 79DPPE C310 9538 3.547 2.478 3.579 -0.3293 -0.2118 -0.6028 79DPPE H10X 9539 3.540 2.385 3.639 -2.4794 1.0183 1.2077 79DPPE H10Y 9540 3.473 2.449 3.501 0.9571 -1.8039 -1.2827 79DPPE C311 9541 3.530 2.601 3.669 0.0584 -0.1543 -0.6079 79DPPE H11X 9542 3.431 2.610 3.717 0.2867 0.1539 -0.1924 79DPPE H11Y 9543 3.533 2.696 3.612 1.9932 -0.4118 -1.0190 79DPPE C312 9544 3.624 2.610 3.789 -0.0823 0.8680 -0.5700 79DPPE H12X 9545 3.722 2.656 3.765 0.4731 -0.3677 -0.7143 79DPPE H12Y 9546 3.650 2.506 3.817 1.4671 0.7625 -2.2342 79DPPE C313 9547 3.556 2.677 3.908 0.7526 0.3151 0.2348 79DPPE H13X 9548 3.466 2.620 3.942 -0.0715 1.0314 -0.6873 79DPPE H13Y 9549 3.525 2.773 3.860 0.7152 0.2039 0.0360 79DPPE C314 9550 3.634 2.692 4.039 0.3264 -0.1721 0.5509 79DPPE H14X 9551 3.716 2.763 4.013 0.5660 -0.9116 -0.8040 79DPPE H14Y 9552 3.664 2.591 4.073 -2.4339 -0.5221 2.2510 79DPPE C315 9553 3.560 2.752 4.159 -0.2898 -0.1219 0.1462 79DPPE H15X 9554 3.471 2.688 4.179 0.4068 -0.4519 2.3780 79DPPE H15Y 9555 3.517 2.848 4.122 4.2946 1.3321 -2.0906 79DPPE C316 9556 3.636 2.782 4.288 -0.0835 0.0709 -0.0194 79DPPE H16X 9557 3.569 2.831 4.362 -2.7121 0.6115 -2.5368 79DPPE H16Y 9558 3.720 2.854 4.287 0.3766 -0.3775 2.0757 79DPPE H16Z 9559 3.665 2.683 4.328 0.3834 0.1669 -0.1159 80DPPE N 9560 3.015 3.454 2.161 -0.0044 -0.4877 0.5668 80DPPE HN1 9561 2.915 3.433 2.141 -0.9638 1.1938 3.1462 80DPPE HN2 9562 3.050 3.495 2.072 1.8571 0.0809 1.5153 80DPPE HN3 9563 3.062 3.365 2.188 -1.1994 -1.1625 0.4852 80DPPE C12 9564 3.025 3.553 2.274 0.8473 -0.1876 0.2387 80DPPE H12A 9565 3.131 3.585 2.264 0.3329 0.8669 -3.4328 80DPPE H12B 9566 3.002 3.503 2.371 0.7817 -0.0201 0.3106 80DPPE C11 9567 2.937 3.675 2.248 -0.0786 -0.8380 0.2648 80DPPE H11A 9568 2.960 3.733 2.155 0.2364 0.2377 0.9943 80DPPE H11B 9569 2.952 3.749 2.330 1.4720 -0.4082 -0.3755 80DPPE P 9570 2.707 3.660 2.364 0.2190 -0.1143 0.5318 80DPPE O13 9571 2.580 3.587 2.345 0.7019 -0.9101 0.3057 80DPPE O14 9572 2.701 3.805 2.391 0.5053 0.1062 -0.5208 80DPPE O11 9573 2.773 3.585 2.489 0.1053 -0.5073 0.3573 80DPPE O12 9574 2.801 3.634 2.237 -0.2360 -0.3164 0.2358 80DPPE C1 9575 2.767 3.442 2.488 -0.4373 -0.4860 0.0695 80DPPE HA 9576 2.866 3.398 2.513 0.7329 0.6756 -2.1734 80DPPE HB 9577 2.745 3.413 2.383 2.0291 0.8090 -0.8995 80DPPE C2 9578 2.648 3.390 2.571 -0.5993 0.1033 0.2166 80DPPE HS 9579 2.559 3.448 2.539 -1.6365 -2.0212 -1.0102 80DPPE O21 9580 2.689 3.420 2.704 0.2561 -0.5442 0.1180 80DPPE C21 9581 2.592 3.444 2.794 0.2357 -0.6866 0.1346 80DPPE O22 9582 2.480 3.474 2.757 0.2005 -0.0438 0.7399 80DPPE C22 9583 2.636 3.422 2.938 -0.0877 -0.0063 0.3423 80DPPE H2R 9584 2.713 3.342 2.930 0.7277 0.8173 -0.3418 80DPPE H2S 9585 2.553 3.384 3.000 0.2745 -0.9487 0.2676 80DPPE C3 9586 2.612 3.243 2.543 -0.0303 0.0445 -0.2411 80DPPE HX 9587 2.601 3.220 2.435 0.8901 1.4731 -0.6610 80DPPE HY 9588 2.514 3.216 2.588 -0.0487 -1.9235 -1.3267 80DPPE O31 9589 2.709 3.151 2.595 -0.5469 -0.2805 0.1683 80DPPE C31 9590 2.794 3.090 2.512 -0.4777 0.2806 -0.1764 80DPPE O32 9591 2.813 3.129 2.397 0.0179 0.3490 -0.0730 80DPPE C32 9592 2.878 2.993 2.594 -1.0122 0.3240 0.4181 80DPPE H2X 9593 2.982 2.985 2.557 -0.6822 -2.0642 1.6788 80DPPE H2Y 9594 2.829 2.894 2.583 -0.8558 0.1886 0.9018 80DPPE C23 9595 2.700 3.553 2.986 -0.2086 0.1298 0.1363 80DPPE H3R 9596 2.610 3.617 2.996 -0.1123 0.2145 0.4791 80DPPE H3S 9597 2.776 3.585 2.912 -0.6765 1.3639 0.1727 80DPPE C24 9598 2.764 3.539 3.124 -0.1835 0.7780 0.1916 80DPPE H4R 9599 2.810 3.638 3.143 2.8764 -0.5087 0.1017 80DPPE H4S 9600 2.841 3.459 3.122 0.1072 1.0834 -0.8557 80DPPE C25 9601 2.653 3.504 3.224 0.0761 -0.2990 0.1176 80DPPE H5R 9602 2.612 3.403 3.204 2.2755 -1.1223 -0.5065 80DPPE H5S 9603 2.570 3.577 3.211 -2.1833 -1.9707 3.7040 80DPPE C26 9604 2.704 3.519 3.367 0.8940 0.1897 -0.2177 80DPPE H6R 9605 2.723 3.627 3.384 -2.5128 0.7599 0.7638 80DPPE H6S 9606 2.799 3.463 3.373 0.6807 -0.0369 1.8607 80DPPE C27 9607 2.603 3.496 3.480 1.1228 -0.0064 -0.0511 80DPPE H7R 9608 2.580 3.388 3.470 0.4530 0.0350 0.9329 80DPPE H7S 9609 2.501 3.542 3.476 0.3511 -1.6627 -0.4103 80DPPE C28 9610 2.657 3.514 3.622 -0.1012 -0.3306 0.4715 80DPPE H8R 9611 2.755 3.463 3.629 -1.5937 -3.7960 -1.1571 80DPPE H8S 9612 2.594 3.470 3.702 -0.7063 0.7754 0.6171 80DPPE C29 9613 2.665 3.658 3.671 -0.5320 -0.3497 0.6010 80DPPE H9R 9614 2.560 3.693 3.679 -0.1500 0.3769 3.6504 80DPPE H9S 9615 2.730 3.725 3.610 -1.6229 1.4236 1.2958 80DPPE C210 9616 2.725 3.666 3.811 0.1728 0.4523 0.2642 80DPPE H10R 9617 2.819 3.606 3.819 -0.1046 0.0037 0.2082 80DPPE H10S 9618 2.661 3.600 3.873 -0.7079 -0.2068 -1.3108 80DPPE C211 9619 2.743 3.805 3.873 0.0495 0.5939 -0.0199 80DPPE H11R 9620 2.643 3.846 3.844 -0.5161 -0.2298 0.7173 80DPPE H11S 9621 2.814 3.871 3.819 -0.6410 -0.2930 -2.1351 80DPPE C212 9622 2.757 3.803 4.025 -0.1776 0.6005 0.0024 80DPPE H12R 9623 2.860 3.771 4.054 -0.2572 0.1688 -0.1869 80DPPE H12S 9624 2.685 3.737 4.077 -1.6666 2.0041 -0.2234 80DPPE C213 9625 2.720 3.945 4.070 0.7671 0.7113 0.4799 80DPPE H13R 9626 2.679 3.943 4.173 -1.0823 1.2264 -0.2047 80DPPE H13S 9627 2.636 3.973 4.002 1.4757 -0.6666 -1.0359 80DPPE C214 9628 2.835 4.044 4.055 0.1336 1.3011 -0.7245 80DPPE H14R 9629 2.801 4.148 4.073 -2.0975 0.2781 1.5381 80DPPE H14S 9630 2.880 4.047 3.954 3.6950 1.4049 0.7079 80DPPE C215 9631 2.942 4.027 4.164 -0.7247 0.1345 -0.0302 80DPPE H15R 9632 3.004 4.118 4.177 -1.1060 0.6380 -1.5022 80DPPE H15S 9633 3.003 3.941 4.129 0.0595 0.8266 -0.4279 80DPPE C216 9634 2.888 4.005 4.305 0.4023 -0.0034 0.3945 80DPPE H16R 9635 2.822 4.086 4.342 -1.3657 -1.3109 0.2493 80DPPE H16S 9636 2.977 3.995 4.370 -0.8801 1.4264 2.4896 80DPPE H16T 9637 2.823 3.915 4.300 -0.5785 0.7410 -2.2204 80DPPE C33 9638 2.892 3.029 2.743 0.0032 0.4078 0.3046 80DPPE H3X 9639 2.795 3.009 2.793 -0.4942 1.8106 -0.0686 80DPPE H3Y 9640 2.920 3.135 2.758 -1.1393 0.7129 0.3734 80DPPE C34 9641 2.978 2.933 2.825 -0.1348 0.1192 0.1148 80DPPE H4X 9642 3.079 2.933 2.779 -0.2618 -0.5391 -0.1727 80DPPE H4Y 9643 2.932 2.832 2.832 0.9612 -0.4115 -0.0512 80DPPE C35 9644 2.989 2.972 2.973 0.1684 0.8092 -0.0884 80DPPE H5X 9645 3.044 2.888 3.021 -0.3341 0.7699 0.4180 80DPPE H5Y 9646 2.887 2.983 3.015 0.8227 3.8100 0.9419 80DPPE C36 9647 3.071 3.100 2.994 0.8355 0.3782 -0.0344 80DPPE H6X 9648 3.035 3.174 2.920 -0.4556 -1.4940 -1.3812 80DPPE H6Y 9649 3.177 3.071 2.975 1.1327 0.8592 0.8652 80DPPE C37 9650 3.050 3.146 3.138 -0.3603 0.4212 -0.2127 80DPPE H7X 9651 3.105 3.075 3.203 0.7688 1.5815 0.1452 80DPPE H7Y 9652 2.943 3.157 3.166 0.0245 1.9031 0.7899 80DPPE C38 9653 3.095 3.291 3.153 0.0404 0.2625 0.1576 80DPPE H8X 9654 3.020 3.354 3.099 0.6553 2.6125 1.8472 80DPPE H8Y 9655 3.200 3.316 3.125 0.6698 -1.2855 1.0187 80DPPE C39 9656 3.060 3.346 3.291 0.7332 0.5208 0.2359 80DPPE H9X 9657 2.957 3.322 3.327 0.4622 0.9588 -0.2388 80DPPE H9Y 9658 3.070 3.456 3.284 -0.0703 0.6352 0.7273 80DPPE C310 9659 3.170 3.292 3.382 0.2940 -0.2032 0.3460 80DPPE H10X 9660 3.261 3.339 3.341 -0.5146 1.5652 0.4964 80DPPE H10Y 9661 3.182 3.182 3.374 -3.1081 -0.5445 -2.6804 80DPPE C311 9662 3.143 3.321 3.530 0.4718 0.1907 0.3020 80DPPE H11X 9663 3.239 3.288 3.575 0.5967 1.9860 1.4299 80DPPE H11Y 9664 3.051 3.274 3.572 0.8362 -0.0601 0.8259 80DPPE C312 9665 3.121 3.469 3.564 -0.0131 0.0567 0.5909 80DPPE H12X 9666 3.031 3.501 3.508 -0.3558 0.2260 1.2352 80DPPE H12Y 9667 3.211 3.525 3.530 0.6954 -0.3522 1.7296 80DPPE C313 9668 3.097 3.490 3.713 -0.0321 -0.2285 0.6281 80DPPE H13X 9669 3.169 3.423 3.765 0.5320 0.0707 0.2399 80DPPE H13Y 9670 2.994 3.455 3.733 -0.5437 1.0041 0.2126 80DPPE C314 9671 3.103 3.639 3.747 0.2390 -0.1665 0.3092 80DPPE H14X 9672 3.006 3.681 3.712 0.9155 1.3439 0.1612 80DPPE H14Y 9673 3.184 3.680 3.683 1.0622 -2.3294 -0.1393 80DPPE C315 9674 3.135 3.657 3.895 -0.3010 0.2171 0.3813 80DPPE H15X 9675 3.236 3.611 3.900 -1.1381 -2.0552 -1.8097 80DPPE H15Y 9676 3.064 3.600 3.960 -1.3551 0.3201 -0.6386 80DPPE C316 9677 3.142 3.798 3.954 0.0394 -0.0033 0.8701 80DPPE H16X 9678 3.146 3.807 4.065 0.5301 0.6355 0.8010 80DPPE H16Y 9679 3.048 3.845 3.919 1.0298 -0.1122 -2.1430 80DPPE H16Z 9680 3.222 3.863 3.913 -0.9612 2.9601 3.2349 81DPPE N 9681 4.505 0.710 2.064 -0.6003 -0.0551 -0.0627 81DPPE HN1 9682 4.556 0.652 1.994 1.1229 1.5742 -0.2529 81DPPE HN2 9683 4.461 0.795 2.024 0.0650 0.3287 -0.0068 81DPPE HN3 9684 4.576 0.755 2.125 2.0553 1.0100 -3.5752 81DPPE C12 9685 4.414 0.632 2.155 -0.4876 0.2181 0.2911 81DPPE H12A 9686 4.324 0.693 2.178 -1.6547 -1.2610 -0.1206 81DPPE H12B 9687 4.384 0.541 2.097 0.5418 0.3197 -0.4397 81DPPE C11 9688 4.471 0.574 2.284 0.6099 -0.4076 -0.4594 81DPPE H11A 9689 4.559 0.511 2.257 0.1220 -1.7365 0.9187 81DPPE H11B 9690 4.399 0.515 2.344 0.5006 -0.5119 -0.6927 81DPPE P 9691 4.651 0.665 2.448 0.1028 0.0998 0.5644 81DPPE O13 9692 4.677 0.801 2.499 0.5200 0.4135 -0.4755 81DPPE O14 9693 4.759 0.586 2.384 0.1364 0.5194 0.1055 81DPPE O11 9694 4.586 0.574 2.563 -0.4079 -0.2526 0.0067 81DPPE O12 9695 4.523 0.687 2.354 0.3221 -0.6111 0.0876 81DPPE C1 9696 4.456 0.596 2.616 -0.2968 -0.1073 0.2211 81DPPE HA 9697 4.415 0.497 2.647 -1.4812 -0.5464 -2.4803 81DPPE HB 9698 4.386 0.639 2.541 -0.7474 -1.0402 0.0852 81DPPE C2 9699 4.454 0.687 2.740 -0.1618 -0.1812 0.2765 81DPPE HS 9700 4.500 0.781 2.704 -2.0047 -0.6139 -3.7287 81DPPE O21 9701 4.524 0.614 2.842 -0.3126 -0.0822 0.4508 81DPPE C21 9702 4.609 0.684 2.917 -0.2739 -0.1450 0.4640 81DPPE O22 9703 4.636 0.802 2.900 1.2112 -0.5124 0.0484 81DPPE C22 9704 4.699 0.578 2.980 -0.0877 -0.4082 -0.2341 81DPPE H2R 9705 4.798 0.593 2.932 1.3406 0.1356 2.6501 81DPPE H2S 9706 4.667 0.475 2.953 -2.3254 0.1650 0.0449 81DPPE C3 9707 4.314 0.718 2.794 -0.1755 0.0673 0.0960 81DPPE HX 9708 4.254 0.628 2.770 2.1577 -1.3006 -0.9022 81DPPE HY 9709 4.290 0.808 2.733 0.9404 1.1708 1.1990 81DPPE O31 9710 4.315 0.740 2.936 0.0565 -0.2533 0.1451 81DPPE C31 9711 4.331 0.869 2.968 -0.6940 -0.1221 0.0061 81DPPE O32 9712 4.337 0.962 2.889 0.0482 0.0483 0.2591 81DPPE C32 9713 4.337 0.871 3.120 0.1145 -0.3092 -0.0225 81DPPE H2X 9714 4.414 0.801 3.160 -1.1369 -0.7010 1.8151 81DPPE H2Y 9715 4.233 0.843 3.145 -0.7825 1.6076 -1.4177 81DPPE C23 9716 4.711 0.603 3.131 -0.0282 -0.4289 -0.2355 81DPPE H3R 9717 4.741 0.708 3.152 -1.7785 0.6179 -2.4069 81DPPE H3S 9718 4.798 0.536 3.144 0.8549 0.0163 -3.1349 81DPPE C24 9719 4.590 0.555 3.211 0.5350 -0.9414 0.3093 81DPPE H4R 9720 4.572 0.445 3.202 0.5226 -1.0060 1.0590 81DPPE H4S 9721 4.494 0.594 3.171 0.5147 -2.7261 -1.5725 81DPPE C25 9722 4.613 0.573 3.361 0.7401 -0.1483 0.1868 81DPPE H5R 9723 4.711 0.534 3.398 1.2366 -0.6405 -1.5796 81DPPE H5S 9724 4.536 0.502 3.399 0.9499 -0.8121 -0.6005 81DPPE C26 9725 4.582 0.717 3.400 0.6969 -0.0762 -0.1155 81DPPE H6R 9726 4.480 0.751 3.373 0.7117 -1.3270 -1.9063 81DPPE H6S 9727 4.665 0.773 3.351 1.4565 -1.3640 -0.3508 81DPPE C27 9728 4.584 0.737 3.552 -0.3203 0.5491 -0.1741 81DPPE H7R 9729 4.499 0.674 3.587 -1.7584 1.2727 -2.1947 81DPPE H7S 9730 4.568 0.846 3.567 -0.9431 0.4722 -0.2433 81DPPE C28 9731 4.715 0.700 3.622 -0.0881 0.4510 -0.6576 81DPPE H8R 9732 4.798 0.768 3.590 1.5870 0.1278 2.6282 81DPPE H8S 9733 4.752 0.597 3.607 -0.6637 0.2836 -0.9738 81DPPE C29 9734 4.704 0.727 3.772 -0.3454 -0.4779 -0.5098 81DPPE H9R 9735 4.637 0.648 3.812 0.8177 -1.9889 -1.4298 81DPPE H9S 9736 4.665 0.828 3.793 -0.7922 -0.9982 1.3297 81DPPE C210 9737 4.837 0.717 3.846 -0.5745 -0.4916 -0.0921 81DPPE H10R 9738 4.904 0.785 3.789 0.2342 -2.5907 -1.7944 81DPPE H10S 9739 4.876 0.614 3.832 0.9070 0.2050 -1.4392 81DPPE C211 9740 4.841 0.758 3.993 0.2200 -0.3337 -0.1506 81DPPE H11R 9741 4.774 0.846 4.006 -0.0834 -0.4532 -0.8523 81DPPE H11S 9742 4.949 0.775 4.012 0.2252 1.9401 -1.7747 81DPPE C212 9743 4.794 0.654 4.094 0.5457 -0.3590 -0.0232 81DPPE H12R 9744 4.805 0.552 4.051 0.5727 -0.1138 -0.5980 81DPPE H12S 9745 4.683 0.664 4.103 0.4137 -1.8026 0.2740 81DPPE C213 9746 4.866 0.667 4.229 0.0583 0.7209 0.1484 81DPPE H13R 9747 4.868 0.776 4.249 0.8722 0.9091 -0.8190 81DPPE H13S 9748 4.972 0.635 4.227 -0.3665 -0.8077 0.8215 81DPPE C214 9749 4.796 0.599 4.346 -0.4043 -0.3813 -0.7418 81DPPE H14R 9750 4.860 0.610 4.437 -1.4975 -2.5217 0.3939 81DPPE H14S 9751 4.810 0.488 4.342 -0.2006 -0.4356 0.7937 81DPPE C215 9752 4.659 0.650 4.390 -0.4904 -0.7723 -0.5475 81DPPE H15R 9753 4.598 0.653 4.297 1.2235 -0.2160 -1.6923 81DPPE H15S 9754 4.678 0.757 4.411 1.5125 -0.7584 -2.1087 81DPPE C216 9755 4.595 0.574 4.506 -0.4931 -0.1390 -0.1280 81DPPE H16R 9756 4.555 0.475 4.473 -1.1196 0.3058 -0.7396 81DPPE H16S 9757 4.526 0.635 4.568 -0.1663 -0.1566 0.2541 81DPPE H16T 9758 4.679 0.539 4.570 -0.5420 -0.3180 -0.1599 81DPPE C33 9759 4.381 1.012 3.160 0.5440 -0.5301 0.2968 81DPPE H3X 9760 4.300 1.080 3.126 2.6099 1.5124 -0.8043 81DPPE H3Y 9761 4.475 1.046 3.111 -0.9481 1.4057 -1.3773 81DPPE C34 9762 4.378 1.031 3.312 0.1336 -0.0356 0.2289 81DPPE H4X 9763 4.437 1.123 3.329 0.4381 -0.0077 -0.8654 81DPPE H4Y 9764 4.423 0.941 3.360 -0.3379 0.3741 1.4504 81DPPE C35 9765 4.245 1.043 3.386 0.1365 -0.0856 0.2424 81DPPE H5X 9766 4.174 0.971 3.338 0.7203 -1.7053 1.7099 81DPPE H5Y 9767 4.201 1.143 3.364 0.5310 0.1077 0.3410 81DPPE C36 9768 4.258 1.016 3.536 0.1030 0.4636 0.3466 81DPPE H6X 9769 4.280 0.907 3.546 1.1926 0.5675 -0.6779 81DPPE H6Y 9770 4.164 1.029 3.594 1.0250 -0.0719 2.0244 81DPPE C37 9771 4.361 1.096 3.615 -0.2041 0.6985 0.5099 81DPPE H7X 9772 4.431 1.150 3.549 1.4015 -0.4577 1.1897 81DPPE H7Y 9773 4.418 1.026 3.681 -1.6359 -1.0060 0.0220 81DPPE C38 9774 4.305 1.197 3.716 -0.8747 0.5641 0.2805 81DPPE H8X 9775 4.245 1.269 3.657 -0.2756 -0.3487 -1.5089 81DPPE H8Y 9776 4.384 1.246 3.777 -0.5135 -0.3224 0.5535 81DPPE C39 9777 4.219 1.144 3.831 -0.4307 -0.3515 0.2036 81DPPE H9X 9778 4.283 1.084 3.899 0.2607 1.3502 1.1120 81DPPE H9Y 9779 4.136 1.079 3.795 -1.5006 1.6387 -1.0947 81DPPE C310 9780 4.167 1.266 3.906 -0.9490 -0.2697 -0.2822 81DPPE H10X 9781 4.115 1.333 3.834 1.6330 2.6542 0.3362 81DPPE H10Y 9782 4.253 1.323 3.948 -1.6840 1.4796 -1.0408 81DPPE C311 9783 4.077 1.235 4.026 -0.5952 -0.4929 -0.0754 81DPPE H11X 9784 4.143 1.233 4.115 -0.4390 -1.5898 -0.1974 81DPPE H11Y 9785 4.022 1.139 4.012 0.4137 -0.7736 -2.8865 81DPPE C312 9786 3.982 1.354 4.041 0.2641 0.0852 0.8771 81DPPE H12X 9787 3.943 1.373 3.939 0.1348 -2.4005 0.3828 81DPPE H12Y 9788 4.027 1.450 4.073 0.6691 0.9971 -2.1839 81DPPE C313 9789 3.859 1.327 4.129 0.1730 -0.4124 0.6023 81DPPE H13X 9790 3.821 1.431 4.136 -1.3419 -0.9344 0.3618 81DPPE H13Y 9791 3.888 1.287 4.228 0.0984 2.0879 1.7214 81DPPE C314 9792 3.745 1.247 4.067 -0.0397 0.1255 0.2886 81DPPE H14X 9793 3.785 1.144 4.052 -1.8624 -0.9898 2.5262 81DPPE H14Y 9794 3.725 1.285 3.964 -1.7157 0.7415 0.8061 81DPPE C315 9795 3.618 1.244 4.151 -0.1084 0.5179 0.1996 81DPPE H15X 9796 3.598 1.350 4.177 -2.6356 -0.3335 2.1649 81DPPE H15Y 9797 3.638 1.187 4.244 0.1372 -0.8547 -0.6707 81DPPE C316 9798 3.501 1.176 4.079 -0.0631 0.7106 -0.0543 81DPPE H16X 9799 3.531 1.072 4.056 -0.1692 0.4997 0.7269 81DPPE H16Y 9800 3.485 1.220 3.978 1.8198 0.7005 -0.3942 81DPPE H16Z 9801 3.410 1.192 4.141 0.1810 0.9779 0.2402 82DPPE N 9802 1.453 2.306 2.107 -0.1542 0.1485 0.2242 82DPPE HN1 9803 1.380 2.308 2.182 0.5591 4.4862 1.1128 82DPPE HN2 9804 1.541 2.349 2.143 1.0815 -0.7243 -1.5937 82DPPE HN3 9805 1.417 2.379 2.042 -0.2647 0.9018 1.0944 82DPPE C12 9806 1.467 2.166 2.055 -0.5798 0.1874 0.0007 82DPPE H12A 9807 1.565 2.163 2.001 1.2538 -2.7289 3.0663 82DPPE H12B 9808 1.383 2.150 1.984 -2.0451 -0.8558 1.8906 82DPPE C11 9809 1.487 2.061 2.164 -0.2382 -0.0811 -0.3141 82DPPE H11A 9810 1.583 2.073 2.218 -0.6333 1.4404 0.0928 82DPPE H11B 9811 1.491 1.965 2.107 -2.3788 -0.1801 -0.3667 82DPPE P 9812 1.417 2.002 2.400 0.2051 0.0008 0.1894 82DPPE O13 9813 1.549 2.047 2.448 0.0636 -0.2033 0.7740 82DPPE O14 9814 1.399 1.855 2.393 1.1834 -0.1059 -0.1392 82DPPE O11 9815 1.307 2.055 2.503 -0.2766 0.1671 -0.4005 82DPPE O12 9816 1.379 2.066 2.258 0.0239 -0.4852 0.0146 82DPPE C1 9817 1.327 2.185 2.559 -0.1329 0.0816 -0.2516 82DPPE HA 9818 1.227 2.228 2.581 0.1608 1.0630 -0.7854 82DPPE HB 9819 1.368 2.244 2.474 -0.4829 0.3888 -0.2123 82DPPE C2 9820 1.408 2.199 2.689 -0.0780 0.4288 -0.3221 82DPPE HS 9821 1.513 2.167 2.671 0.0946 1.4709 -1.2934 82DPPE O21 9822 1.344 2.109 2.779 0.3312 0.5541 0.0957 82DPPE C21 9823 1.432 2.042 2.854 -0.3112 0.4503 0.7729 82DPPE O22 9824 1.553 2.058 2.858 -0.2435 0.2283 -0.1094 82DPPE C22 9825 1.360 1.927 2.924 -0.3659 -0.1128 -0.1882 82DPPE H2R 9826 1.321 1.863 2.842 -0.3698 0.7081 -0.8444 82DPPE H2S 9827 1.269 1.965 2.975 -0.4942 1.0302 -1.2075 82DPPE C3 9828 1.387 2.334 2.759 0.0768 0.4639 -0.3425 82DPPE HX 9829 1.278 2.356 2.770 0.2070 0.1380 2.7079 82DPPE HY 9830 1.440 2.412 2.701 -0.4130 0.6143 -0.5896 82DPPE O31 9831 1.448 2.336 2.889 -0.0476 0.5560 -0.2851 82DPPE C31 9832 1.575 2.378 2.894 0.2619 -0.3523 -0.3828 82DPPE O32 9833 1.660 2.378 2.807 0.9300 0.2798 0.2626 82DPPE C32 9834 1.605 2.417 3.038 -0.2118 0.0068 -0.3789 82DPPE H2X 9835 1.513 2.427 3.099 -0.5979 -0.3174 -0.8986 82DPPE H2Y 9836 1.672 2.343 3.086 1.8326 2.1443 0.2577 82DPPE C23 9837 1.456 1.860 3.022 -0.2740 -0.3086 -0.4104 82DPPE H3R 9838 1.536 1.809 2.964 0.5089 2.2455 -1.7503 82DPPE H3S 9839 1.409 1.771 3.070 -2.0941 0.4637 -0.6733 82DPPE C24 9840 1.513 1.946 3.135 -0.1164 -0.6860 -0.2042 82DPPE H4R 9841 1.590 2.005 3.081 -2.3077 0.9483 -1.7178 82DPPE H4S 9842 1.566 1.878 3.206 -1.6248 -2.0263 -0.2944 82DPPE C25 9843 1.429 2.060 3.191 0.3731 -0.3716 -0.1005 82DPPE H5R 9844 1.346 2.003 3.238 0.4975 -0.9386 -0.5678 82DPPE H5S 9845 1.393 2.116 3.102 -1.3282 0.7269 1.1923 82DPPE C26 9846 1.486 2.164 3.288 0.4295 -0.2606 -0.2522 82DPPE H6R 9847 1.396 2.211 3.331 0.3487 -0.3181 -0.3591 82DPPE H6S 9848 1.549 2.245 3.247 1.7198 -0.2919 1.5182 82DPPE C27 9849 1.544 2.103 3.416 0.0111 0.1382 0.1285 82DPPE H7R 9850 1.556 2.192 3.482 -1.1978 1.2945 -1.1689 82DPPE H7S 9851 1.644 2.063 3.387 0.2064 -1.3409 2.5178 82DPPE C28 9852 1.459 1.989 3.473 0.3593 0.0561 0.4945 82DPPE H8R 9853 1.481 1.897 3.415 0.8852 -0.0106 0.7983 82DPPE H8S 9854 1.352 2.020 3.471 0.3611 0.0499 0.3001 82DPPE C29 9855 1.516 1.946 3.608 0.4682 -0.7225 0.2023 82DPPE H9R 9856 1.521 2.035 3.673 0.7859 0.7030 -1.6804 82DPPE H9S 9857 1.620 1.912 3.587 0.3243 -0.0479 -1.7988 82DPPE C210 9858 1.431 1.832 3.662 0.5746 -0.6351 0.5535 82DPPE H10R 9859 1.323 1.848 3.641 0.5394 1.8703 2.1602 82DPPE H10S 9860 1.431 1.838 3.773 -1.4440 2.0878 0.5162 82DPPE C211 9861 1.457 1.692 3.605 0.3472 -0.3148 -0.3422 82DPPE H11R 9862 1.546 1.642 3.648 0.6810 0.2520 -0.3635 82DPPE H11S 9863 1.487 1.695 3.498 -0.2985 -1.0540 -0.5549 82DPPE C212 9864 1.336 1.598 3.605 0.1670 -0.0887 -0.6218 82DPPE H12R 9865 1.251 1.649 3.556 -0.7333 0.6040 1.5151 82DPPE H12S 9866 1.304 1.588 3.711 -2.0407 0.8521 -1.1595 82DPPE C213 9867 1.364 1.464 3.535 -0.2443 -0.4767 -0.0523 82DPPE H13R 9868 1.283 1.389 3.550 1.0760 -1.8114 0.6397 82DPPE H13S 9869 1.449 1.408 3.580 1.3653 0.7843 -1.3919 82DPPE C214 9870 1.381 1.475 3.384 -0.1610 -0.8297 -0.0679 82DPPE H14R 9871 1.432 1.381 3.353 0.2825 -0.7129 0.2926 82DPPE H14S 9872 1.447 1.555 3.344 1.0423 -2.5676 -1.7760 82DPPE C215 9873 1.253 1.473 3.301 -0.2152 -0.0599 -0.0111 82DPPE H15R 9874 1.289 1.505 3.201 0.6376 1.3126 0.7186 82DPPE H15S 9875 1.181 1.544 3.346 -0.2523 -0.3310 0.3680 82DPPE C216 9876 1.185 1.336 3.292 0.5569 -0.4651 0.2764 82DPPE H16R 9877 1.127 1.311 3.383 -1.1864 0.0027 -0.6530 82DPPE H16S 9878 1.265 1.259 3.289 2.8001 1.7641 -2.0423 82DPPE H16T 9879 1.131 1.333 3.195 0.7320 -5.0144 0.1006 82DPPE C33 9880 1.699 2.537 3.040 -0.3122 0.0867 -0.4254 82DPPE H3X 9881 1.796 2.485 3.056 -1.5065 -2.8363 -2.0537 82DPPE H3Y 9882 1.699 2.601 2.949 0.9538 -1.2765 -1.4270 82DPPE C34 9883 1.659 2.624 3.160 0.3652 -0.1604 -0.0153 82DPPE H4X 9884 1.593 2.570 3.230 0.9101 -0.3698 0.3495 82DPPE H4Y 9885 1.603 2.715 3.132 -1.6898 0.2044 4.4971 82DPPE C35 9886 1.774 2.662 3.254 0.0093 -0.6759 0.6373 82DPPE H5X 9887 1.819 2.753 3.210 -1.4807 -1.7550 -3.6253 82DPPE H5Y 9888 1.849 2.580 3.258 3.3985 2.2313 2.2104 82DPPE C36 9889 1.737 2.684 3.401 -0.4844 0.2720 0.3804 82DPPE H6X 9890 1.727 2.587 3.454 2.9236 -0.0936 0.6038 82DPPE H6Y 9891 1.637 2.732 3.403 -0.6331 0.0472 -0.8594 82DPPE C37 9892 1.853 2.755 3.471 0.0725 -0.0865 -0.1658 82DPPE H7X 9893 1.872 2.859 3.437 1.9735 -1.0009 -2.1082 82DPPE H7Y 9894 1.938 2.688 3.445 0.1615 -0.0949 0.1401 82DPPE C38 9895 1.829 2.747 3.622 0.0725 -0.7374 -0.1974 82DPPE H8X 9896 1.792 2.645 3.646 -1.0219 -0.3050 0.0422 82DPPE H8Y 9897 1.747 2.822 3.631 0.7619 -0.1396 1.5155 82DPPE C39 9898 1.956 2.790 3.696 -0.1545 0.2561 -0.3733 82DPPE H9X 9899 1.999 2.883 3.652 3.2671 0.5535 3.1038 82DPPE H9Y 9900 2.021 2.701 3.698 -2.2245 -1.3294 -0.3352 82DPPE C310 9901 1.941 2.824 3.844 -0.0195 -0.0367 -0.2928 82DPPE H10X 9902 1.867 2.907 3.845 -2.9716 -2.4635 0.4915 82DPPE H10Y 9903 2.035 2.853 3.896 0.1720 -0.1522 -0.5733 82DPPE C311 9904 1.886 2.702 3.918 0.5341 -0.5674 -0.7451 82DPPE H11X 9905 1.958 2.618 3.916 1.6511 0.3706 -0.8781 82DPPE H11Y 9906 1.790 2.671 3.870 0.5722 -0.4294 -0.9112 82DPPE C312 9907 1.854 2.722 4.066 -0.2982 -0.5210 -0.9247 82DPPE H12X 9908 1.765 2.783 4.095 1.6675 1.1511 2.2210 82DPPE H12Y 9909 1.938 2.790 4.095 0.1683 -0.6555 -1.9108 82DPPE C313 9910 1.839 2.600 4.157 -0.1224 0.3328 0.2716 82DPPE H13X 9911 1.934 2.542 4.156 -1.1564 -1.4174 0.8689 82DPPE H13Y 9912 1.764 2.527 4.122 -1.6368 1.9905 -0.0628 82DPPE C314 9913 1.814 2.634 4.304 -0.5741 -0.3609 0.3588 82DPPE H14X 9914 1.858 2.736 4.311 2.3887 -1.4551 -0.7284 82DPPE H14Y 9915 1.873 2.569 4.372 -2.6776 -2.3581 0.3703 82DPPE C315 9916 1.671 2.621 4.355 -0.4492 0.4459 0.9488 82DPPE H15X 9917 1.607 2.680 4.287 1.1169 -1.3794 -2.3660 82DPPE H15Y 9918 1.676 2.668 4.456 -0.5818 -3.7397 3.1342 82DPPE C316 9919 1.614 2.480 4.369 0.2778 -0.0026 -0.4282 82DPPE H16X 9920 1.529 2.485 4.442 -0.7583 2.0272 -1.6861 82DPPE H16Y 9921 1.685 2.400 4.398 -0.1791 -0.5741 -0.8491 82DPPE H16Z 9922 1.569 2.444 4.274 0.0067 1.0771 -0.7157 83DPPE N 9923 4.364 2.129 2.288 -0.1796 -0.1627 0.5025 83DPPE HN1 9924 4.435 2.091 2.221 0.2604 -0.7834 1.3103 83DPPE HN2 9925 4.305 2.203 2.244 1.9925 1.1340 -0.4378 83DPPE HN3 9926 4.422 2.168 2.365 1.0808 0.2846 -0.6319 83DPPE C12 9927 4.301 2.007 2.349 -0.0090 -0.6499 -0.2728 83DPPE H12A 9928 4.253 2.038 2.444 2.1308 2.7761 -0.1304 83DPPE H12B 9929 4.226 1.969 2.277 1.0661 -1.2489 -1.1143 83DPPE C11 9930 4.401 1.892 2.366 0.0713 -0.5906 -0.3470 83DPPE H11A 9931 4.432 1.865 2.262 -2.6837 2.7342 -2.2536 83DPPE H11B 9932 4.343 1.813 2.419 0.3411 0.1083 1.0113 83DPPE P 9933 4.617 1.804 2.455 0.1949 -0.1669 0.2375 83DPPE O13 9934 4.698 1.835 2.334 -0.1885 0.6315 0.1835 83DPPE O14 9935 4.558 1.670 2.473 -0.5595 0.1780 0.3575 83DPPE O11 9936 4.705 1.843 2.582 0.4094 0.5134 -0.1181 83DPPE O12 9937 4.507 1.920 2.457 0.4720 0.1371 -1.0287 83DPPE C1 9938 4.820 1.769 2.626 -0.0305 -0.1477 -0.0720 83DPPE HA 9939 4.912 1.832 2.621 0.7792 -1.0320 2.3652 83DPPE HB 9940 4.822 1.679 2.561 -0.3230 0.1101 -0.4469 83DPPE C2 9941 4.804 1.726 2.772 0.2324 0.3876 0.1174 83DPPE HS 9942 4.864 1.634 2.792 -0.4533 0.4716 3.1005 83DPPE O21 9943 4.668 1.704 2.811 0.0849 -0.0351 -0.6194 83DPPE C21 9944 4.631 1.583 2.768 -0.1124 0.0110 -0.5797 83DPPE O22 9945 4.700 1.493 2.723 -0.0358 -0.0494 -0.3421 83DPPE C22 9946 4.483 1.567 2.801 0.0353 0.2182 0.1995 83DPPE H2R 9947 4.444 1.467 2.775 -0.7796 -0.3757 3.3074 83DPPE H2S 9948 4.422 1.649 2.757 0.9690 0.7929 -0.0610 83DPPE C3 9949 4.855 1.840 2.862 0.1791 0.0896 0.5274 83DPPE HX 9950 4.816 1.932 2.816 -2.0266 -1.0966 -0.0995 83DPPE HY 9951 4.966 1.850 2.866 0.0871 1.8516 -0.6629 83DPPE O31 9952 4.810 1.823 2.997 -0.6298 -0.1584 0.2286 83DPPE C31 9953 4.882 1.740 3.072 0.0922 0.5443 0.3202 83DPPE O32 9954 4.960 1.653 3.037 -0.2103 0.6116 -0.5263 83DPPE C32 9955 4.828 1.746 3.214 0.6428 -0.9121 0.6081 83DPPE H2X 9956 4.747 1.822 3.219 0.2501 -1.3751 1.7441 83DPPE H2Y 9957 4.901 1.776 3.292 1.9365 -2.8909 0.2088 83DPPE C23 9958 4.467 1.576 2.953 0.1497 -0.2574 0.2400 83DPPE H3R 9959 4.478 1.683 2.977 1.8277 0.1745 -2.1037 83DPPE H3S 9960 4.549 1.528 3.010 0.1076 -0.0403 0.4854 83DPPE C24 9961 4.334 1.516 2.998 0.0496 -0.0102 0.2744 83DPPE H4R 9962 4.328 1.411 2.960 -1.3437 -0.3699 1.4077 83DPPE H4S 9963 4.255 1.574 2.947 0.7460 1.0294 0.3523 83DPPE C25 9964 4.301 1.531 3.147 0.4316 0.3449 0.3230 83DPPE H5R 9965 4.299 1.640 3.171 -2.1893 0.1774 1.1791 83DPPE H5S 9966 4.377 1.478 3.208 0.6560 -0.4913 -0.6631 83DPPE C26 9967 4.158 1.491 3.180 0.5417 0.0739 0.4743 83DPPE H6R 9968 4.126 1.393 3.138 -0.9527 1.0360 -0.7868 83DPPE H6S 9969 4.089 1.574 3.153 1.4648 0.5614 -0.4140 83DPPE C27 9970 4.136 1.470 3.330 -0.0947 -0.0728 0.3646 83DPPE H7R 9971 4.171 1.367 3.353 0.0603 -0.2956 -0.8075 83DPPE H7S 9972 4.025 1.464 3.335 -0.0766 -2.9185 -0.7839 83DPPE C28 9973 4.188 1.577 3.426 0.3220 0.3454 -0.3254 83DPPE H8R 9974 4.169 1.679 3.385 0.5764 1.8242 2.9615 83DPPE H8S 9975 4.296 1.549 3.430 0.2932 0.2500 -0.2283 83DPPE C29 9976 4.133 1.570 3.568 0.4284 -0.4615 -0.3193 83DPPE H9R 9977 4.206 1.615 3.638 1.0577 -2.6345 0.4927 83DPPE H9S 9978 4.130 1.461 3.589 0.1467 -0.7792 -1.8943 83DPPE C210 9979 3.993 1.626 3.595 0.2912 -0.9602 0.0057 83DPPE H10R 9980 3.944 1.546 3.534 0.9762 -1.1387 -0.3184 83DPPE H10S 9981 3.981 1.730 3.558 -1.3311 -0.8551 0.7360 83DPPE C211 9982 3.945 1.617 3.740 -0.1974 -0.5298 -0.1265 83DPPE H11R 9983 3.968 1.715 3.785 -2.7454 0.6918 -1.2457 83DPPE H11S 9984 4.000 1.536 3.791 1.2539 0.7381 0.3737 83DPPE C212 9985 3.794 1.590 3.737 -0.2676 -0.1296 -0.2787 83DPPE H12R 9986 3.773 1.578 3.846 1.2005 2.8813 0.4463 83DPPE H12S 9987 3.767 1.495 3.686 -1.1893 0.1359 -0.3126 83DPPE C213 9988 3.715 1.703 3.672 -0.0158 0.1145 -0.1621 83DPPE H13R 9989 3.736 1.707 3.563 2.3327 2.3641 0.2853 83DPPE H13S 9990 3.752 1.798 3.716 0.1663 0.2434 -0.5861 83DPPE C214 9991 3.566 1.682 3.700 -0.0292 0.0850 -0.2544 83DPPE H14R 9992 3.544 1.693 3.809 0.1449 0.0531 -0.2157 83DPPE H14S 9993 3.548 1.573 3.690 1.3025 -0.3306 1.4551 83DPPE C215 9994 3.475 1.778 3.623 -0.1651 0.0728 -0.1082 83DPPE H15R 9995 3.508 1.884 3.628 -3.1685 1.3981 -3.7922 83DPPE H15S 9996 3.374 1.782 3.671 0.1566 1.0904 0.5172 83DPPE C216 9997 3.467 1.749 3.474 -0.4648 0.3561 -0.1471 83DPPE H16R 9998 3.429 1.646 3.456 2.9895 -0.9411 -0.7113 83DPPE H16S 9999 3.569 1.750 3.430 -0.1587 -2.2383 0.3376 83DPPE H16T10000 3.398 1.819 3.420 -1.6565 -0.5955 0.0941 83DPPE C3310001 4.745 1.624 3.254 0.2149 -0.9260 -0.3045 83DPPE H3X10002 4.795 1.530 3.223 -0.3234 -1.7751 1.3121 83DPPE H3Y10003 4.649 1.624 3.198 -1.0983 -0.7877 1.8390 83DPPE C3410004 4.715 1.623 3.404 -0.5080 0.5018 -0.4175 83DPPE H4X10005 4.817 1.618 3.448 -0.3804 4.3630 0.0078 83DPPE H4Y10006 4.662 1.525 3.412 0.1944 0.2165 1.0451 83DPPE C3510007 4.628 1.737 3.457 0.4325 0.7550 0.6158 83DPPE H5X10008 4.528 1.749 3.411 0.2849 2.0764 1.2412 83DPPE H5Y10009 4.685 1.832 3.442 0.6883 0.5189 0.0427 83DPPE C3610010 4.610 1.714 3.607 -0.3073 0.4357 0.4826 83DPPE H6X10011 4.561 1.804 3.649 -0.8408 0.6600 -0.5753 83DPPE H6Y10012 4.705 1.694 3.661 0.4812 1.0347 -0.6395 83DPPE C3710013 4.521 1.592 3.634 0.4384 -0.1790 0.2281 83DPPE H7X10014 4.565 1.505 3.582 -2.9709 -0.4719 -2.5497 83DPPE H7Y10015 4.418 1.599 3.593 0.0335 -0.5506 1.1545 83DPPE C3810016 4.501 1.569 3.784 -0.4056 -0.3497 0.0899 83DPPE H8X10017 4.430 1.483 3.784 0.5016 -1.1261 -0.4627 83DPPE H8Y10018 4.455 1.652 3.840 0.7573 0.2115 0.2315 83DPPE C3910019 4.631 1.529 3.854 0.0323 0.9325 0.0268 83DPPE H9X10020 4.710 1.604 3.835 -0.0929 0.9016 -0.6673 83DPPE H9Y10021 4.670 1.440 3.800 3.8962 2.4004 0.0769 83DPPE C31010022 4.622 1.505 4.005 0.1934 0.1504 -0.0828 83DPPE H10X10023 4.721 1.459 4.021 -0.5379 -1.1578 0.8056 83DPPE H10Y10024 4.539 1.433 4.021 -0.5657 0.8787 -0.5968 83DPPE C31110025 4.597 1.633 4.084 -0.3002 -0.0107 0.0239 83DPPE H11X10026 4.487 1.645 4.075 -0.5861 -2.6359 -0.6674 83DPPE H11Y10027 4.655 1.723 4.053 1.0788 -0.7908 0.2527 83DPPE C31210028 4.630 1.620 4.233 -0.5654 0.4608 0.1284 83DPPE H12X10029 4.732 1.576 4.228 -0.9018 -0.3454 0.2622 83DPPE H12Y10030 4.566 1.540 4.276 0.3415 -0.3202 0.0631 83DPPE C31310031 4.634 1.751 4.312 -0.3050 0.4683 0.1039 83DPPE H13X10032 4.530 1.774 4.343 -0.0216 0.1788 1.3198 83DPPE H13Y10033 4.670 1.833 4.247 0.2086 0.7385 0.7183 83DPPE C31410034 4.718 1.735 4.439 -0.2391 0.2181 0.0294 83DPPE H14X10035 4.828 1.723 4.421 -0.1260 -0.0745 0.8569 83DPPE H14Y10036 4.685 1.638 4.481 -0.2271 0.4210 0.5072 83DPPE C31510037 4.693 1.837 4.550 0.1837 0.1601 0.1810 83DPPE H15X10038 4.586 1.847 4.578 -0.9773 -2.7703 -2.5330 83DPPE H15Y10039 4.743 1.928 4.510 -0.9149 0.7602 0.1218 83DPPE C31610040 4.768 1.800 4.678 -0.1355 0.0169 0.3278 83DPPE H16X10041 4.780 1.887 4.746 1.6396 0.1693 -0.1228 83DPPE H16Y10042 4.868 1.767 4.642 -0.4506 -0.9530 0.3155 83DPPE H16Z10043 4.713 1.719 4.730 -1.6352 0.8550 0.1164 84DPPE N10044 5.631 0.899 2.609 0.3185 0.4217 -0.3371 84DPPE HN110045 5.562 0.821 2.613 1.7652 -0.8757 0.5708 84DPPE HN210046 5.582 0.980 2.651 1.2682 1.3714 -1.0024 84DPPE HN310047 5.643 0.906 2.506 -0.2144 0.5592 -0.3916 84DPPE C1210048 5.748 0.838 2.683 0.2793 -0.2838 -0.8472 84DPPE H12A10049 5.799 0.770 2.611 2.0191 0.1389 -0.0688 84DPPE H12B10050 5.700 0.772 2.758 -2.6596 -1.0474 -3.1797 84DPPE C1110051 5.842 0.932 2.758 -0.5368 -0.1730 0.0605 84DPPE H11A10052 5.913 0.874 2.822 0.7003 0.5201 -0.6296 84DPPE H11B10053 5.782 1.003 2.818 -0.4715 0.0600 -0.1481 84DPPE P10054 6.038 0.959 2.590 0.2164 -0.2311 0.6446 84DPPE O1310055 6.018 1.003 2.450 -0.4762 -0.3189 0.7128 84DPPE O1410056 6.058 0.815 2.617 0.8886 -0.1771 0.4469 84DPPE O1110057 6.164 1.044 2.639 -0.2110 0.5122 0.4723 84DPPE O1210058 5.917 1.021 2.674 -0.0255 -0.3107 0.3631 84DPPE C110059 6.154 1.179 2.687 0.9575 0.5801 0.5527 84DPPE HA10060 6.065 1.234 2.649 0.6972 -0.9557 -1.2330 84DPPE HB10061 6.243 1.229 2.644 0.3293 0.3248 -1.1655 84DPPE C210062 6.162 1.190 2.840 0.1757 0.3741 0.6160 84DPPE HS10063 6.272 1.204 2.848 0.3878 -0.0924 -1.1171 84DPPE O2110064 6.126 1.067 2.903 -0.2277 -0.0121 -0.3473 84DPPE C2110065 6.198 1.033 3.010 -0.1326 0.1511 -0.3583 84DPPE O2210066 6.296 1.094 3.048 0.1953 -0.2492 -0.5545 84DPPE C2210067 6.135 0.910 3.074 -0.3106 0.1762 -0.4841 84DPPE H2R10068 6.036 0.897 3.025 0.0567 -0.9975 -0.9644 84DPPE H2S10069 6.122 0.924 3.183 -0.6568 -0.0862 -0.4880 84DPPE C310070 6.072 1.300 2.898 -0.5158 0.0677 0.1375 84DPPE HX10071 5.969 1.259 2.889 -0.4192 -0.4586 1.2597 84DPPE HY10072 6.079 1.389 2.831 -0.6132 -0.5884 -0.7631 84DPPE O3110073 6.102 1.338 3.033 0.0561 -0.3586 0.1353 84DPPE C3110074 6.188 1.439 3.042 -0.4759 0.0819 0.3796 84DPPE O3210075 6.245 1.500 2.952 0.1427 -0.4521 0.4012 84DPPE C3210076 6.217 1.451 3.191 -0.2084 -0.0020 0.3353 84DPPE H2X10077 6.275 1.360 3.218 2.1332 1.6402 1.2265 84DPPE H2Y10078 6.123 1.435 3.248 0.8468 -0.9332 1.8922 84DPPE C2310079 6.212 0.784 3.034 -0.0011 0.0225 0.5774 84DPPE H3R10080 6.261 0.812 2.939 -1.1952 1.4084 0.3486 84DPPE H3S10081 6.150 0.695 3.012 0.1677 0.3271 -1.2586 84DPPE C2410082 6.302 0.742 3.151 -0.0687 0.3203 0.7359 84DPPE H4R10083 6.308 0.632 3.142 -3.3418 0.1412 -0.2869 84DPPE H4S10084 6.242 0.771 3.240 1.8073 0.8422 1.9095 84DPPE C2510085 6.442 0.805 3.145 0.0569 -0.0037 0.1835 84DPPE H5R10086 6.418 0.892 3.081 -0.8752 0.2725 0.8820 84DPPE H5S10087 6.512 0.743 3.084 -0.9997 -1.0200 -0.0376 84DPPE C2610088 6.501 0.839 3.282 0.1754 -0.2527 0.1948 84DPPE H6R10089 6.611 0.834 3.269 0.2004 0.7450 -0.0286 84DPPE H6S10090 6.467 0.773 3.365 -2.7873 -0.3808 -0.9862 84DPPE C2710091 6.463 0.979 3.330 0.4768 0.0764 -0.5253 84DPPE H7R10092 6.357 0.993 3.297 -0.5150 -2.6990 1.1361 84DPPE H7S10093 6.526 1.051 3.273 1.3514 0.1870 0.5718 84DPPE C2810094 6.472 1.008 3.479 0.1914 0.4379 -0.5756 84DPPE H8R10095 6.402 0.961 3.551 -0.7169 1.8724 -0.4817 84DPPE H8S10096 6.439 1.112 3.502 -0.1059 -0.2177 2.4945 84DPPE C2910097 6.620 0.997 3.519 0.1636 0.6846 -0.4010 84DPPE H9R10098 6.682 1.061 3.453 -0.7173 2.0430 0.0488 84DPPE 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C3710134 6.502 1.830 3.632 -0.0406 0.5093 0.7512 84DPPE H7X10135 6.458 1.914 3.575 1.5516 -0.6733 -2.4937 84DPPE H7Y10136 6.612 1.837 3.618 -0.3477 1.7950 -1.4798 84DPPE C3810137 6.484 1.830 3.784 -0.3549 0.2399 0.7135 84DPPE H8X10138 6.543 1.917 3.818 2.4426 -1.0870 -0.4833 84DPPE H8Y10139 6.531 1.740 3.829 0.5084 0.4948 0.3255 84DPPE C3910140 6.339 1.855 3.825 -0.6723 0.1633 -0.3138 84DPPE H9X10141 6.271 1.774 3.790 1.7931 -1.8803 -0.6348 84DPPE H9Y10142 6.301 1.952 3.786 -0.4263 0.9972 1.4196 84DPPE C31010143 6.330 1.853 3.978 -0.2687 -0.0386 -0.2914 84DPPE H10X10144 6.384 1.941 4.019 0.4810 -0.5448 -0.1799 84DPPE H10Y10145 6.373 1.759 4.019 0.9832 1.2359 1.4854 84DPPE C31110146 6.192 1.872 4.042 -0.1028 -0.7170 0.2800 84DPPE H11X10147 6.186 1.831 4.145 -0.4759 -2.3860 -0.3611 84DPPE H11Y10148 6.120 1.808 3.985 -0.7464 0.9951 -0.9123 84DPPE C31210149 6.138 2.013 4.063 0.3569 -0.3827 -0.7115 84DPPE H12X10150 6.131 2.056 3.961 -0.1059 -1.1735 -1.0165 84DPPE H12Y10151 6.219 2.065 4.119 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85DPPE C1210169 0.940 3.393 1.945 -0.3445 -0.3083 -0.1847 85DPPE H12A10170 0.843 3.386 1.891 0.5476 0.8838 -2.0807 85DPPE H12B10171 0.998 3.475 1.896 1.2649 -1.1021 0.3239 85DPPE C1110172 0.938 3.424 2.094 0.9354 0.5241 -0.3236 85DPPE H11A10173 0.874 3.350 2.147 -0.4646 1.8975 0.0040 85DPPE H11B10174 0.883 3.520 2.110 1.0828 0.3232 1.6275 85DPPE P10175 1.152 3.569 2.142 0.3486 -0.1496 -0.1311 85DPPE O1310176 1.066 3.675 2.084 0.1095 -0.2335 0.0717 85DPPE O1410177 1.279 3.541 2.071 0.0502 -0.3375 -0.5980 85DPPE O1110178 1.171 3.600 2.297 -0.2473 0.0938 -0.1029 85DPPE O1210179 1.070 3.432 2.148 0.3638 -0.1065 1.2260 85DPPE C110180 1.290 3.551 2.360 -0.1270 0.2932 -0.1728 85DPPE HA10181 1.308 3.617 2.448 1.1370 -0.4893 0.1866 85DPPE HB10182 1.385 3.556 2.304 0.6899 -0.6428 1.0618 85DPPE C210183 1.269 3.406 2.408 -0.3891 0.3042 -0.2541 85DPPE HS10184 1.210 3.356 2.328 -0.5553 -2.5421 1.5082 85DPPE O2110185 1.189 3.407 2.526 0.3562 0.0859 0.2541 85DPPE C2110186 1.128 3.292 2.556 0.1701 0.1390 0.0834 85DPPE O2210187 1.125 3.193 2.485 0.6576 0.0759 0.1453 85DPPE C2210188 1.073 3.303 2.698 0.2207 0.3460 0.0870 85DPPE H2R10189 0.970 3.344 2.690 -0.4900 -1.5809 -1.4323 85DPPE H2S10190 1.138 3.364 2.764 -1.7340 3.9785 -1.0621 85DPPE C310191 1.401 3.333 2.435 -0.7478 -0.0494 0.5457 85DPPE HX10192 1.479 3.346 2.357 -0.4691 -0.3329 0.7725 85DPPE HY10193 1.390 3.222 2.437 0.1485 -0.1688 -0.5905 85DPPE O3110194 1.462 3.391 2.551 -0.5892 -0.1222 0.4990 85DPPE C3110195 1.454 3.320 2.663 0.5722 -0.3734 0.4391 85DPPE O3210196 1.395 3.213 2.667 -0.4758 0.1919 0.3883 85DPPE C3210197 1.534 3.385 2.774 0.7828 -0.5302 0.3796 85DPPE H2X10198 1.554 3.491 2.746 0.6120 -1.3032 -3.0524 85DPPE H2Y10199 1.631 3.331 2.773 0.2420 -1.5572 -1.3652 85DPPE C2310200 1.073 3.164 2.762 -0.5524 0.3130 0.0198 85DPPE H3R10201 1.176 3.132 2.788 -0.2416 0.4690 -0.9862 85DPPE H3S10202 1.025 3.098 2.686 -0.9559 2.2956 -1.5534 85DPPE C2410203 0.990 3.158 2.890 -0.0989 -0.2779 0.2862 85DPPE H4R10204 0.991 3.053 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0.850 3.193 3.613 0.2115 -1.4259 -0.6070 85DPPE H10S10223 0.735 3.142 3.481 1.4024 0.6115 -2.0694 85DPPE C21110224 0.680 3.297 3.619 -0.2814 -0.2589 0.1448 85DPPE H11R10225 0.723 3.387 3.667 -0.5867 0.3317 -0.6664 85DPPE H11S10226 0.642 3.218 3.689 0.2771 -2.2462 -1.6745 85DPPE C21210227 0.558 3.348 3.542 -0.2857 0.1793 0.4384 85DPPE H12R10228 0.486 3.268 3.511 1.6090 -0.7930 -1.7617 85DPPE H12S10229 0.583 3.377 3.438 -2.2010 0.6743 0.0740 85DPPE C21310230 0.491 3.460 3.621 -0.2986 0.4314 0.0693 85DPPE H13R10231 0.556 3.550 3.626 1.4577 -0.5087 -3.0676 85DPPE H13S10232 0.468 3.432 3.726 -1.1613 1.6109 0.2235 85DPPE C21410233 0.361 3.504 3.553 -0.6196 -0.4566 0.0956 85DPPE H14R10234 0.325 3.429 3.479 0.7931 -0.7905 -0.2830 85DPPE H14S10235 0.279 3.527 3.624 -0.8665 -0.9065 -0.0430 85DPPE C21510236 0.387 3.635 3.478 -0.4650 -0.5621 -0.0342 85DPPE H15R10237 0.460 3.614 3.396 2.7016 -0.3443 2.5033 85DPPE H15S10238 0.434 3.716 3.537 1.5779 2.1824 -4.7874 85DPPE C21610239 0.268 3.703 3.411 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1.354 3.683 3.313 3.7922 0.7886 0.7268 85DPPE C3810258 1.415 3.603 3.494 0.1969 0.1897 -0.4058 85DPPE H8X10259 1.439 3.711 3.488 -2.5058 1.0606 2.0516 85DPPE H8Y10260 1.495 3.535 3.531 0.6765 0.3195 -1.1752 85DPPE C3910261 1.306 3.585 3.599 0.1725 -0.4222 -0.5349 85DPPE H9X10262 1.217 3.642 3.565 0.6656 0.8095 0.1758 85DPPE H9Y10263 1.342 3.622 3.698 1.0178 2.7760 -1.9286 85DPPE C31010264 1.270 3.437 3.615 0.2081 -0.3420 0.3397 85DPPE H10X10265 1.358 3.382 3.657 1.0471 2.5955 2.7448 85DPPE H10Y10266 1.245 3.397 3.515 0.4074 2.1645 -0.7746 85DPPE C31110267 1.138 3.408 3.687 -0.1587 -0.0461 -0.2120 85DPPE H11X10268 1.116 3.300 3.674 -3.5147 0.6742 -1.5391 85DPPE H11Y10269 1.060 3.472 3.641 0.4688 -0.3999 -1.8571 85DPPE C31210270 1.147 3.450 3.833 -0.6819 -0.0314 -0.1805 85DPPE H12X10271 1.147 3.561 3.832 -0.5209 0.0883 2.6890 85DPPE H12Y10272 1.235 3.413 3.891 0.3955 1.3123 -0.9047 85DPPE C31310273 1.031 3.406 3.923 0.1063 -0.4248 0.6670 85DPPE H13X10274 0.941 3.466 3.899 0.3997 0.8117 2.4846 85DPPE H13Y10275 1.057 3.445 4.023 1.6110 -0.0468 0.1640 85DPPE C31410276 0.987 3.259 3.929 -0.1738 -0.3788 -0.0968 85DPPE H14X10277 1.058 3.191 3.981 1.6651 -0.6751 -2.7710 85DPPE H14Y10278 0.967 3.224 3.826 0.1873 0.7350 -0.5622 85DPPE C31510279 0.847 3.243 3.989 -0.0731 0.2113 0.3070 85DPPE H15X10280 0.774 3.311 3.941 -1.9494 -2.8303 -1.4254 85DPPE H15Y10281 0.843 3.278 4.094 -1.5972 -1.1671 0.7441 85DPPE C31610282 0.780 3.106 3.989 0.2774 0.0376 -0.0913 85DPPE H16X10283 0.778 3.074 3.882 2.4047 0.5792 -0.3384 85DPPE H16Y10284 0.678 3.126 4.029 -0.4284 -1.7985 -0.8620 85DPPE H16Z10285 0.834 3.043 4.062 0.0180 1.5355 1.4692 86DPPE N10286 2.027 0.908 2.170 -0.2866 -0.0838 -0.1003 86DPPE HN110287 1.943 0.945 2.120 0.8981 1.2603 -1.2252 86DPPE HN210288 2.055 0.997 2.217 -2.2467 1.0412 -0.9051 86DPPE HN310289 1.995 0.852 2.251 -0.3656 1.2764 0.8454 86DPPE C1210290 2.121 0.851 2.067 -0.6946 -0.7894 -0.0864 86DPPE H12A10291 2.143 0.936 1.999 1.0828 0.5591 2.0380 86DPPE H12B10292 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H11S10468 4.850 4.666 3.261 -1.6259 -0.5741 -0.7903 87DPPE C21210469 4.955 4.546 3.411 0.1437 0.3635 0.4058 87DPPE H12R10470 5.011 4.631 3.454 3.5769 -1.7725 0.5067 87DPPE H12S10471 5.023 4.458 3.413 0.8168 0.8783 1.9431 87DPPE C21310472 4.837 4.507 3.501 -0.4487 -0.9274 -0.8828 87DPPE H13R10473 4.781 4.424 3.454 -0.2955 -1.3810 -0.2840 87DPPE H13S10474 4.770 4.594 3.513 0.5156 0.0253 -2.1510 87DPPE C21410475 4.874 4.455 3.640 -0.0669 0.6559 -0.3674 87DPPE H14R10476 4.950 4.525 3.682 0.8218 0.7767 -2.0925 87DPPE H14S10477 4.924 4.356 3.634 -2.6180 -0.8500 1.3888 87DPPE C21510478 4.749 4.434 3.726 0.4398 -0.6703 0.0892 87DPPE H15R10479 4.687 4.357 3.675 -0.1428 -0.4303 0.4204 87DPPE H15S10480 4.690 4.528 3.735 -1.3338 -1.5834 -1.3831 87DPPE C21610481 4.775 4.389 3.869 0.4523 -0.2236 0.2300 87DPPE H16R10482 4.811 4.284 3.869 -1.6975 -1.0076 0.3527 87DPPE H16S10483 4.683 4.398 3.931 0.1324 -1.4448 -0.0388 87DPPE H16T10484 4.843 4.456 3.926 1.2568 -2.3515 1.9026 87DPPE C3310485 3.897 4.730 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C3910503 3.991 4.811 3.439 0.5929 0.2542 0.5213 87DPPE H9X10504 3.902 4.873 3.414 0.1596 -0.4035 0.4190 87DPPE H9Y10505 4.067 4.892 3.448 -1.0915 1.9123 0.5954 87DPPE C31010506 3.974 4.735 3.571 0.4098 0.2394 0.4900 87DPPE H10X10507 4.040 4.646 3.560 -0.7943 -0.5765 -0.3452 87DPPE H10Y10508 3.871 4.693 3.570 0.2228 0.5287 -2.7461 87DPPE C31110509 3.990 4.808 3.704 0.2399 0.0343 0.6231 87DPPE H11X10510 3.902 4.874 3.718 -1.0377 -0.5200 -3.5532 87DPPE H11Y10511 4.090 4.857 3.700 0.2471 -0.0089 0.2648 87DPPE C31210512 3.997 4.701 3.814 0.0035 -0.0113 0.5935 87DPPE H12X10513 4.078 4.719 3.887 1.4535 -1.7418 -0.4977 87DPPE H12Y10514 4.029 4.615 3.751 2.8453 0.7319 0.8790 87DPPE C31310515 3.858 4.658 3.862 -0.2472 -0.4323 -0.4883 87DPPE H13X10516 3.790 4.641 3.775 -3.6225 2.8909 1.2595 87DPPE H13Y10517 3.809 4.736 3.923 -0.0990 -1.3667 0.8837 87DPPE C31410518 3.859 4.531 3.948 0.1830 -0.2003 -0.1481 87DPPE H14X10519 3.962 4.500 3.976 -0.6101 -1.0440 2.0411 87DPPE H14Y10520 3.805 4.450 3.896 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H6R11783 2.174 1.903 3.149 -0.3155 -0.6077 0.2840 98DPPE H6S11784 2.334 1.856 3.097 0.4983 0.4193 -0.5258 98DPPE C2711785 2.261 1.746 3.277 0.1848 0.2611 -0.6237 98DPPE H7R11786 2.165 1.747 3.332 0.8735 -0.3175 0.6322 98DPPE H7S11787 2.331 1.813 3.330 -0.3481 0.1520 0.2357 98DPPE C2811788 2.286 1.595 3.275 -1.0669 0.0407 -0.1544 98DPPE H8R11789 2.344 1.567 3.185 -0.6821 -0.0134 0.1069 98DPPE H8S11790 2.192 1.537 3.265 -0.8931 0.1343 -2.8760 98DPPE C2911791 2.374 1.547 3.391 -0.6030 -0.0920 -0.5591 98DPPE H9R11792 2.363 1.438 3.405 1.0671 -0.1152 0.8950 98DPPE H9S11793 2.349 1.604 3.483 1.3558 1.2993 -0.8346 98DPPE C21011794 2.519 1.578 3.355 -0.4434 -0.2585 -0.0693 98DPPE H10R11795 2.526 1.685 3.328 -1.2780 -0.2354 -0.2080 98DPPE H10S11796 2.555 1.525 3.264 1.2832 -0.3724 0.6436 98DPPE C21111797 2.617 1.541 3.467 0.1069 -0.3211 -0.5647 98DPPE H11R11798 2.720 1.551 3.427 0.0885 -2.1132 -1.1467 98DPPE H11S11799 2.602 1.434 3.490 -0.3511 -0.4125 -1.2419 98DPPE C21211800 2.598 1.628 3.591 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4.045 3.269 0.1831 -0.3452 0.1037 99DPPE H10X11959 4.933 4.054 3.307 -0.1377 0.5509 0.7833 99DPPE H10Y11960 4.809 3.938 3.243 3.3024 -0.9905 -0.1936 99DPPE C31111961 4.727 4.088 3.373 -0.1310 -0.5078 -0.1375 99DPPE H11X11962 4.628 4.068 3.327 0.2185 -1.6204 -0.4423 99DPPE H11Y11963 4.742 4.192 3.407 -2.3379 -0.1971 0.0617 99DPPE C31211964 4.732 4.006 3.503 0.4966 0.5815 0.5329 99DPPE H12X11965 4.820 4.044 3.559 1.3522 -0.9153 0.2564 99DPPE H12Y11966 4.754 3.902 3.472 0.1880 1.2198 -2.0910 99DPPE C31311967 4.601 4.012 3.582 -0.0150 -0.7863 -0.1878 99DPPE H13X11968 4.506 3.970 3.543 -0.0306 -0.2921 -0.6936 99DPPE H13Y11969 4.595 4.118 3.614 0.0375 -1.9844 4.6292 99DPPE C31411970 4.638 3.947 3.715 -0.5839 -0.1317 0.2966 99DPPE H14X11971 4.720 3.997 3.772 -1.2142 -0.8073 1.8580 99DPPE H14Y11972 4.689 3.854 3.682 0.2555 1.0077 -1.8096 99DPPE C31511973 4.520 3.934 3.811 -0.5401 -0.0088 0.3685 99DPPE H15X11974 4.464 4.030 3.821 1.0805 0.9195 0.7379 99DPPE H15Y11975 4.565 3.895 3.905 -1.3683 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H4X12062 3.767 4.262 2.991 0.6993 0.0357 -1.6408 100DPPE H4Y12063 3.788 4.100 3.082 -2.9026 -0.0482 2.3130 100DPPE C3512064 3.600 4.178 3.105 -0.0001 -0.4623 0.0512 100DPPE H5X12065 3.541 4.086 3.125 -3.1277 1.2138 -0.8625 100DPPE H5Y12066 3.530 4.244 3.050 0.3522 0.1917 0.3734 100DPPE C3612067 3.672 4.248 3.220 0.0301 0.7267 -0.6737 100DPPE H6X12068 3.724 4.339 3.185 1.4802 1.0482 2.0492 100DPPE H6Y12069 3.761 4.198 3.264 1.0991 0.2516 -3.1938 100DPPE C3712070 3.573 4.295 3.327 0.3327 -0.7103 0.2670 100DPPE H7X12071 3.497 4.351 3.268 0.7573 -0.4415 -0.0277 100DPPE H7Y12072 3.632 4.365 3.390 1.1487 -1.2442 0.1159 100DPPE C3812073 3.500 4.183 3.402 -0.5531 -0.1305 0.2935 100DPPE H8X12074 3.579 4.118 3.446 1.3096 -0.9419 -3.7263 100DPPE H8Y12075 3.438 4.124 3.331 -0.0766 -0.6761 0.3235 100DPPE C3912076 3.407 4.226 3.515 -0.1445 0.1643 0.5207 100DPPE H9X12077 3.374 4.131 3.561 -2.8080 0.7527 -0.0221 100DPPE H9Y12078 3.320 4.280 3.471 0.2763 0.1158 -0.4097 100DPPE C31012079 3.470 4.311 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3.580 5.963 2.721 0.2367 0.1810 0.4293 101DPPE O3212132 3.600 5.871 2.643 0.2681 0.1726 0.4471 101DPPE C3212133 3.661 5.995 2.846 0.2503 0.4096 0.3621 101DPPE H2X12134 3.623 6.092 2.884 0.4430 0.4731 0.4042 101DPPE H2Y12135 3.769 6.010 2.824 0.7102 -0.7781 1.6765 101DPPE C2312136 3.314 6.516 2.765 -0.5465 -0.0326 0.0280 101DPPE H3R12137 3.313 6.627 2.773 -0.1820 0.1120 -1.6256 101DPPE H3S12138 3.404 6.459 2.799 -0.1916 -0.2669 -1.2490 101DPPE C2412139 3.193 6.481 2.852 -0.3210 0.0675 0.3840 101DPPE H4R12140 3.194 6.370 2.859 -0.7999 0.1662 2.6377 101DPPE H4S12141 3.098 6.503 2.798 -0.9422 0.4864 1.6176 101DPPE C2512142 3.208 6.530 2.996 -0.0276 0.5131 0.2053 101DPPE H5R12143 3.224 6.640 2.988 1.1098 0.4797 1.6558 101DPPE H5S12144 3.294 6.483 3.047 -0.7416 -1.8414 -0.6313 101DPPE C2612145 3.076 6.508 3.072 0.0487 -0.1233 0.1562 101DPPE H6R12146 2.998 6.544 3.002 0.1584 -0.0208 0.0843 101DPPE H6S12147 3.076 6.573 3.161 0.7569 -0.0201 0.0894 101DPPE C2712148 3.040 6.366 3.116 0.3557 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101DPPE C21312166 2.574 6.187 3.626 0.1234 -0.6156 0.5210 101DPPE H13R12167 2.467 6.186 3.656 -0.4118 1.4960 -1.0687 101DPPE H13S12168 2.586 6.296 3.607 -4.4538 0.3450 1.8907 101DPPE C21412169 2.672 6.129 3.730 0.7573 -0.5458 -0.0297 101DPPE H14R12170 2.778 6.140 3.700 1.0362 2.7302 1.6657 101DPPE H14S12171 2.653 6.020 3.737 1.5098 -0.6151 1.0871 101DPPE C21512172 2.649 6.203 3.862 -0.4687 -0.4328 -0.2852 101DPPE H15R12173 2.644 6.310 3.835 -0.2019 -0.6277 -1.1392 101DPPE H15S12174 2.550 6.167 3.896 0.8162 -3.6319 0.4901 101DPPE C21612175 2.742 6.187 3.982 -0.5437 -0.1032 -0.1848 101DPPE H16R12176 2.752 6.281 4.041 0.0513 1.3454 -2.4680 101DPPE H16S12177 2.849 6.173 3.954 0.1418 -0.1711 2.2383 101DPPE H16T12178 2.705 6.106 4.049 -0.6575 1.8816 2.3296 101DPPE C3312179 3.638 5.883 2.948 0.3632 0.1401 0.0945 101DPPE H3X12180 3.659 5.778 2.918 1.0177 0.3441 -0.1874 101DPPE H3Y12181 3.531 5.890 2.975 0.2120 -1.6836 0.0404 101DPPE C3412182 3.706 5.900 3.084 -0.3868 -0.4018 0.5430 101DPPE H4X12183 3.710 5.806 3.143 -1.8869 -1.0314 -0.3066 101DPPE H4Y12184 3.643 5.973 3.139 0.9349 2.1634 -1.1634 101DPPE C3512185 3.850 5.951 3.080 -0.4795 -0.1754 -0.0044 101DPPE H5X12186 3.869 6.032 3.006 -0.5005 -0.0725 0.1025 101DPPE H5Y12187 3.917 5.867 3.052 0.9085 0.2503 1.8416 101DPPE C3612188 3.911 5.995 3.214 0.3750 -0.3604 -0.3233 101DPPE H6X12189 4.018 6.014 3.192 -0.4755 4.4496 -1.6395 101DPPE H6Y12190 3.900 5.914 3.289 -1.5759 0.9594 0.9215 101DPPE C3712191 3.873 6.132 3.271 0.1161 -0.7254 0.3964 101DPPE H7X12192 3.775 6.125 3.324 -0.6284 -3.0041 -1.1357 101DPPE H7Y12193 3.860 6.206 3.189 0.2089 2.2872 2.9231 101DPPE C3812194 3.984 6.186 3.361 -0.2506 -0.3342 0.6220 101DPPE H8X12195 3.959 6.290 3.390 1.4910 1.8310 -4.5028 101DPPE H8Y12196 4.086 6.192 3.316 -0.7103 -3.3465 -1.1643 101DPPE C3912197 4.000 6.099 3.486 0.4364 -0.4706 0.4446 101DPPE H9X12198 4.051 6.004 3.457 -0.9604 -1.2507 0.4433 101DPPE H9Y12199 3.900 6.076 3.529 -0.2651 2.2305 0.4725 101DPPE C31012200 4.071 6.159 3.608 0.6201 -0.3738 0.2916 101DPPE H10X12201 4.073 6.269 3.619 1.0094 -0.3300 -0.1662 101DPPE H10Y12202 4.173 6.115 3.604 -0.1609 -2.3323 0.8558 101DPPE C31112203 4.002 6.121 3.739 -0.1489 -0.1882 -0.0509 101DPPE H11X12204 4.007 6.010 3.739 0.1371 -0.2252 -2.5140 101DPPE H11Y12205 3.897 6.156 3.741 -0.5676 -1.3867 1.3744 101DPPE C31212206 4.083 6.171 3.859 0.5873 -0.4360 -0.4365 101DPPE H12X12207 4.082 6.280 3.877 -0.5637 -0.5878 0.6117 101DPPE H12Y12208 4.188 6.144 3.833 1.7414 2.7589 0.5298 101DPPE C31312209 4.057 6.094 3.989 -0.4227 0.0774 -0.3246 101DPPE H13X12210 4.138 6.116 4.060 -0.1813 -2.0067 0.1121 101DPPE H13Y12211 4.065 5.984 3.975 -1.1104 0.0511 -0.6375 101DPPE C31412212 3.923 6.127 4.056 -0.3471 -0.6113 0.1724 101DPPE H14X12213 3.890 6.044 4.122 0.3153 -0.9062 0.1509 101DPPE H14Y12214 3.844 6.126 3.977 -0.8856 -0.7576 0.7092 101DPPE C31512215 3.920 6.267 4.115 0.4446 -0.5392 0.0488 101DPPE H15X12216 3.916 6.346 4.037 1.3073 0.0591 0.5927 101DPPE H15Y12217 4.016 6.284 4.170 -0.8051 -0.9399 2.5039 101DPPE C31612218 3.801 6.299 4.205 0.0474 -0.2842 -0.5661 101DPPE H16X12219 3.830 6.286 4.311 2.9090 0.8060 -1.1344 101DPPE H16Y12220 3.711 6.236 4.186 -0.3235 -0.1912 0.7761 101DPPE H16Z12221 3.774 6.407 4.204 -2.4059 -0.7858 1.4484 102DPPE N12222 3.197 1.255 2.168 0.1727 0.0791 -0.2516 102DPPE HN112223 3.129 1.208 2.104 -2.7549 0.5207 2.3281 102DPPE HN212224 3.186 1.356 2.145 -1.4398 -0.1297 -0.5310 102DPPE HN312225 3.291 1.226 2.133 -0.1348 1.2259 -2.1536 102DPPE C1212226 3.199 1.240 2.318 -0.3705 0.2196 -0.2312 102DPPE H12A12227 3.281 1.300 2.363 -3.3243 4.0940 0.5517 102DPPE H12B12228 3.222 1.135 2.347 -0.0675 1.0676 2.9829 102DPPE C1112229 3.081 1.299 2.396 -0.1886 0.0531 0.1697 102DPPE H11A12230 3.090 1.409 2.387 0.6789 -0.2030 -3.2969 102DPPE H11B12231 3.091 1.278 2.505 0.3922 2.5328 0.6569 102DPPE P12232 2.827 1.341 2.341 -0.0219 -0.4642 0.0865 102DPPE O1312233 2.714 1.246 2.327 -0.0115 -0.4161 -0.3159 102DPPE O1412234 2.837 1.452 2.244 0.1477 -0.3026 0.2898 102DPPE O1112235 2.819 1.406 2.487 -0.3522 -0.1197 -0.0819 102DPPE O1212236 2.957 1.248 2.346 0.1823 -0.2131 -0.4885 102DPPE C112237 2.716 1.498 2.524 0.4256 0.4901 0.6061 102DPPE HA12238 2.673 1.460 2.620 1.6637 0.8945 1.3442 102DPPE HB12239 2.630 1.496 2.455 -0.3246 0.5204 1.5160 102DPPE C212240 2.779 1.634 2.555 0.2512 0.6529 0.2410 102DPPE HS12241 2.839 1.675 2.470 0.5827 1.2286 0.7437 102DPPE O2112242 2.869 1.611 2.664 -0.2070 0.0138 0.4869 102DPPE C2112243 2.951 1.711 2.695 -0.1254 -0.0637 0.5196 102DPPE O2212244 2.960 1.813 2.629 -0.1090 -0.4049 -0.0088 102DPPE C2212245 3.033 1.687 2.821 0.0599 -0.5492 0.3070 102DPPE H2R12246 2.996 1.594 2.870 -4.1765 0.9371 0.2771 102DPPE H2S12247 2.996 1.758 2.898 -0.9065 3.0205 -3.1633 102DPPE C312248 2.667 1.735 2.584 -0.0977 0.2840 0.1706 102DPPE HX12249 2.591 1.732 2.502 -2.7004 1.8294 2.3680 102DPPE HY12250 2.711 1.836 2.569 -0.4525 0.4345 0.1191 102DPPE O3112251 2.599 1.723 2.709 0.0238 -0.3879 0.1729 102DPPE C3112252 2.494 1.642 2.727 0.3991 -0.9468 -0.0983 102DPPE O3212253 2.446 1.580 2.634 0.2358 -0.1623 -0.5518 102DPPE C3212254 2.452 1.639 2.874 0.1812 -0.4539 -0.1495 102DPPE H2X12255 2.355 1.587 2.889 0.3846 -0.1658 2.6114 102DPPE H2Y12256 2.434 1.742 2.911 -0.8962 0.3203 -2.5903 102DPPE C2312257 3.184 1.676 2.798 0.0598 0.5598 -0.2603 102DPPE H3R12258 3.232 1.775 2.784 1.1076 0.1071 0.0202 102DPPE H3S12259 3.194 1.610 2.709 -1.4710 -0.5752 0.3831 102DPPE C2412260 3.248 1.597 2.912 -0.1566 0.3123 -0.3102 102DPPE H4R12261 3.185 1.507 2.926 0.5187 -0.2176 -0.5907 102DPPE H4S12262 3.251 1.661 3.002 2.1602 -0.9696 0.6073 102DPPE C2512263 3.383 1.533 2.879 -0.2080 -0.1454 0.3462 102DPPE H5R12264 3.456 1.612 2.850 0.7225 -1.1693 -0.2214 102DPPE H5S12265 3.378 1.449 2.807 1.2821 -1.7609 2.0046 102DPPE C2612266 3.446 1.466 3.001 -0.2317 -0.5839 0.1199 102DPPE H6R12267 3.445 1.356 2.987 -0.1892 -0.7324 1.1942 102DPPE H6S12268 3.375 1.490 3.084 0.5279 2.1867 0.0415 102DPPE C2712269 3.595 1.493 3.019 -0.3854 0.1784 0.2607 102DPPE H7R12270 3.617 1.602 3.031 -1.3628 0.3409 0.6661 102DPPE H7S12271 3.646 1.458 2.927 -2.1026 0.6312 -0.9131 102DPPE C2812272 3.666 1.443 3.145 -0.6226 0.2054 0.4065 102DPPE H8R12273 3.767 1.489 3.141 0.6496 -2.4600 -0.3932 102DPPE H8S12274 3.686 1.334 3.138 -0.6025 -0.0772 3.3998 102DPPE C2912275 3.593 1.493 3.270 -0.6820 0.1577 0.3908 102DPPE H9R12276 3.484 1.474 3.275 -1.1300 2.1232 -0.7417 102DPPE H9S12277 3.605 1.603 3.271 0.3681 0.1041 -1.3475 102DPPE C21012278 3.674 1.445 3.390 0.4875 0.1457 -0.3773 102DPPE H10R12279 3.631 1.494 3.481 1.4087 -0.1038 0.2029 102DPPE H10S12280 3.780 1.474 3.376 0.7826 -0.7971 -0.2103 102DPPE C21112281 3.675 1.292 3.402 -0.2816 0.1370 -0.3715 102DPPE H11R12282 3.743 1.238 3.334 -0.4583 -2.4557 1.3830 102DPPE H11S12283 3.572 1.271 3.367 -0.0860 0.6217 -1.2526 102DPPE C21212284 3.707 1.247 3.545 -0.3469 0.3987 -0.2723 102DPPE H12R12285 3.640 1.286 3.624 1.2373 0.5482 1.0577 102DPPE H12S12286 3.802 1.294 3.577 0.2544 -1.5909 1.0808 102DPPE C21312287 3.725 1.097 3.571 0.4208 0.5518 0.1156 102DPPE H13R12288 3.776 1.060 3.479 -3.1074 -2.0276 -1.0444 102DPPE H13S12289 3.631 1.039 3.576 1.7713 -1.8646 -0.8403 102DPPE C21412290 3.810 1.061 3.693 0.5601 0.1156 -0.1100 102DPPE H14R12291 3.746 1.051 3.783 -1.5507 0.7915 -1.4756 102DPPE H14S12292 3.890 1.138 3.695 0.3468 0.6399 -4.1323 102DPPE C21512293 3.874 0.922 3.679 -0.1009 -0.1712 -0.3391 102DPPE H15R12294 3.941 0.908 3.767 -0.7229 -0.3401 0.1184 102DPPE H15S12295 3.928 0.925 3.582 -1.1217 -3.6054 -1.1378 102DPPE C21612296 3.774 0.807 3.678 -0.2097 -0.0744 -0.5560 102DPPE H16R12297 3.723 0.806 3.776 0.6539 0.6262 -0.0899 102DPPE H16S12298 3.823 0.708 3.660 -0.8333 -0.2035 -1.6901 102DPPE H16T12299 3.700 0.813 3.595 -0.9631 -0.9888 0.0315 102DPPE C3312300 2.561 1.571 2.957 0.2990 -1.0094 -0.7507 102DPPE H3X12301 2.551 1.601 3.063 0.9637 -0.2323 -0.9016 102DPPE H3Y12302 2.660 1.604 2.919 -0.3329 -1.9400 -3.3977 102DPPE C3412303 2.559 1.418 2.944 0.0256 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102DPPE C31012321 2.554 1.140 3.429 1.0097 -0.0021 -0.4729 102DPPE H10X12322 2.456 1.164 3.477 0.7770 -1.9475 0.1029 102DPPE H10Y12323 2.616 1.231 3.415 2.3882 -0.8073 0.2817 102DPPE C31112324 2.623 1.031 3.511 -0.1454 -0.0412 0.4693 102DPPE H11X12325 2.702 0.991 3.444 0.0190 1.0072 0.0172 102DPPE H11Y12326 2.554 0.944 3.517 -2.1499 1.5042 1.0084 102DPPE C31212327 2.704 1.065 3.636 -0.5974 0.7331 0.5607 102DPPE H12X12328 2.645 1.127 3.707 -0.7628 -0.3123 1.3630 102DPPE H12Y12329 2.800 1.115 3.610 -0.3001 0.2505 0.7014 102DPPE C31312330 2.746 0.938 3.710 0.1449 0.6573 0.0248 102DPPE H13X12331 2.812 0.885 3.638 0.1157 1.3626 -0.5285 102DPPE H13Y12332 2.654 0.878 3.728 0.4839 0.8006 2.6930 102DPPE C31412333 2.817 0.959 3.844 -0.3306 0.0026 0.3899 102DPPE H14X12334 2.822 0.865 3.903 0.7300 -0.8075 -0.9134 102DPPE H14Y12335 2.762 1.035 3.904 -0.4721 1.4181 -1.4471 102DPPE C31512336 2.963 1.004 3.835 -0.2189 -0.4260 0.0155 102DPPE H15X12337 2.958 1.105 3.789 1.3985 -0.8645 -1.2099 102DPPE H15Y12338 3.020 0.933 3.771 4.3076 1.5500 1.4470 102DPPE C31612339 3.026 1.018 3.974 -0.3489 0.4794 -0.0142 102DPPE H16X12340 3.056 0.915 4.001 -0.3990 0.0472 -1.5309 102DPPE H16Y12341 3.115 1.084 3.972 -0.4524 0.7919 2.2511 102DPPE H16Z12342 2.945 1.053 4.042 -2.5535 0.5352 -2.5114 103DPPE N12343 4.241 5.663 1.976 0.0813 0.3528 -0.6485 103DPPE HN112344 4.205 5.760 1.966 1.9178 1.4560 2.1591 103DPPE HN212345 4.242 5.609 1.887 -2.5766 -0.9161 -0.0075 103DPPE HN312346 4.181 5.614 2.045 2.6379 -1.2079 0.5980 103DPPE C1212347 4.376 5.651 2.042 -0.0025 -0.2595 -0.5846 103DPPE H12A12348 4.377 5.700 2.141 0.8281 -3.5865 1.2209 103DPPE H12B12349 4.395 5.542 2.048 -3.0411 -0.8650 -0.5581 103DPPE C1112350 4.484 5.722 1.960 0.0633 0.0422 -0.2384 103DPPE H11A12351 4.455 5.829 1.967 -1.9060 -0.5340 1.4834 103DPPE H11B12352 4.487 5.703 1.851 -0.3097 1.1548 -0.4509 103DPPE P12353 4.717 5.806 1.996 0.3916 0.5323 -0.0004 103DPPE O1312354 4.748 5.807 1.851 -0.1954 0.3125 -0.1297 103DPPE O1412355 4.835 5.781 2.082 0.4689 1.0851 0.0538 103DPPE O1112356 4.641 5.938 2.044 -0.2958 0.0502 0.2587 103DPPE O1212357 4.606 5.696 2.031 0.1818 0.6799 -0.2008 103DPPE C112358 4.710 6.063 2.039 0.0710 -0.1628 -0.0744 103DPPE HA12359 4.673 6.125 1.954 -3.4394 5.4147 4.7066 103DPPE HB12360 4.819 6.045 2.026 -0.3207 -2.7353 -0.2216 103DPPE C212361 4.683 6.138 2.171 0.1606 0.1993 -0.2561 103DPPE HS12362 4.770 6.207 2.174 -1.3050 2.0828 2.0972 103DPPE O2112363 4.677 6.054 2.286 0.3865 0.3320 -0.1454 103DPPE C2112364 4.796 6.020 2.337 0.1180 0.3495 0.5073 103DPPE O2212365 4.903 6.058 2.293 0.0817 -0.4969 -0.3648 103DPPE C2212366 4.771 5.909 2.438 -0.5548 0.1383 0.1195 103DPPE H2R12367 4.874 5.883 2.473 0.3569 2.3622 -0.7494 103DPPE H2S12368 4.723 5.824 2.386 0.4595 -1.8407 2.2171 103DPPE C312369 4.554 6.222 2.163 0.1837 0.2624 0.0253 103DPPE HX12370 4.478 6.143 2.142 0.3455 0.6072 -2.0994 103DPPE HY12371 4.552 6.294 2.079 -1.0375 1.8516 1.3552 103DPPE O3112372 4.539 6.295 2.285 0.3928 0.4075 -0.0362 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4.741 5.869 3.006 -0.1643 0.0589 0.0238 103DPPE H7R12391 4.637 5.883 2.969 0.3664 1.9521 -0.9008 103DPPE H7S12392 4.782 5.969 3.029 2.7168 -0.4615 -2.2773 103DPPE C2812393 4.756 5.794 3.138 0.5981 0.1129 -0.0295 103DPPE H8R12394 4.834 5.717 3.120 -0.7804 -1.0129 -1.4271 103DPPE H8S12395 4.657 5.749 3.162 0.8184 -0.9675 -1.0685 103DPPE C2912396 4.797 5.877 3.260 0.0733 0.2696 0.0442 103DPPE H9R12397 4.737 5.969 3.270 -0.4487 0.1325 -1.5662 103DPPE H9S12398 4.902 5.909 3.243 -0.1680 1.4256 0.6419 103DPPE C21012399 4.798 5.787 3.384 0.7203 -0.4927 -0.5057 103DPPE H10R12400 4.865 5.706 3.348 -0.0578 0.0759 -3.4380 103DPPE H10S12401 4.697 5.743 3.397 0.9580 -2.0229 -3.1487 103DPPE C21112402 4.853 5.846 3.515 -0.3301 0.2815 -0.4046 103DPPE H11R12403 4.921 5.931 3.494 -1.2502 0.9945 -0.5632 103DPPE H11S12404 4.921 5.766 3.550 1.8422 1.9392 -0.6255 103DPPE C21212405 4.748 5.900 3.612 -0.5206 0.1646 -0.5445 103DPPE H12R12406 4.704 5.812 3.662 -1.6316 0.9678 -0.0690 103DPPE H12S12407 4.662 5.930 3.548 0.0625 -1.8524 -2.4087 103DPPE C21312408 4.792 6.001 3.718 0.3031 -0.4224 -0.3166 103DPPE H13R12409 4.702 6.032 3.775 0.7261 -0.8588 0.6087 103DPPE H13S12410 4.831 6.090 3.663 -0.9581 1.3588 1.5187 103DPPE C21412411 4.920 5.972 3.796 0.1719 0.0532 0.0812 103DPPE H14R12412 4.948 6.066 3.848 -1.1372 -0.2783 1.4739 103DPPE H14S12413 5.008 5.946 3.733 1.5175 -1.4786 2.4132 103DPPE C21512414 4.917 5.857 3.898 -0.1004 -0.0148 -0.0023 103DPPE H15R12415 5.020 5.837 3.934 -0.2407 -0.8196 -0.0375 103DPPE H15S12416 4.890 5.771 3.833 -0.4885 -0.6147 0.9329 103DPPE C21612417 4.811 5.888 4.003 -0.0279 0.6063 -0.1046 103DPPE H16R12418 4.852 5.949 4.086 -1.7847 0.3591 1.0175 103DPPE H16S12419 4.775 5.798 4.058 0.8088 2.4120 3.7050 103DPPE H16T12420 4.733 5.954 3.959 0.8459 1.3635 -0.5457 103DPPE C3312421 4.444 6.241 2.628 -0.1170 -0.3254 0.1028 103DPPE H3X12422 4.467 6.133 2.630 3.4882 0.3301 0.2411 103DPPE H3Y12423 4.337 6.254 2.600 -0.0391 1.2520 0.4393 103DPPE C3412424 4.472 6.300 2.766 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103DPPE C31012442 4.441 6.228 3.507 -0.0992 0.2480 0.0015 103DPPE H10X12443 4.333 6.252 3.520 0.0954 0.3784 1.6367 103DPPE H10Y12444 4.487 6.328 3.494 -0.6236 0.3834 -0.8937 103DPPE C31112445 4.490 6.170 3.640 0.0572 0.3109 -0.0290 103DPPE H11X12446 4.601 6.163 3.646 0.1533 1.7806 0.2070 103DPPE H11Y12447 4.453 6.066 3.628 -1.5083 0.7477 0.7728 103DPPE C31212448 4.423 6.235 3.761 0.1813 0.0251 0.1958 103DPPE H12X12449 4.337 6.296 3.725 2.2934 2.7700 -0.5835 103DPPE H12Y12450 4.391 6.169 3.844 0.5624 -1.4753 -0.8080 103DPPE C31312451 4.510 6.341 3.828 0.1404 0.2407 -0.0873 103DPPE H13X12452 4.440 6.400 3.891 -1.6928 -2.1875 0.2998 103DPPE H13Y12453 4.555 6.406 3.750 -0.8610 0.9252 -0.1109 103DPPE C31412454 4.612 6.280 3.925 0.2340 -0.0234 -0.3513 103DPPE H14X12455 4.694 6.224 3.875 -0.0305 -0.5223 -0.2373 103DPPE H14Y12456 4.559 6.225 4.006 1.6239 -1.8017 -0.5757 103DPPE C31512457 4.688 6.392 3.997 -0.0027 0.0416 -0.1998 103DPPE H15X12458 4.619 6.465 4.043 2.1106 0.3707 2.7274 103DPPE H15Y12459 4.736 6.436 3.907 0.0699 1.3891 0.4899 103DPPE C31612460 4.794 6.345 4.096 0.1050 0.1613 -0.2588 103DPPE H16X12461 4.849 6.252 4.067 4.2953 2.2100 0.3389 103DPPE H16Y12462 4.748 6.316 4.193 0.4748 -1.4463 -0.5322 103DPPE H16Z12463 4.871 6.424 4.107 0.1795 0.0596 -0.0340 104DPPE N12464 3.609 3.721 2.082 -0.8241 -0.3911 -0.4758 104DPPE HN112465 3.514 3.718 2.042 -0.2288 -0.4214 -1.9238 104DPPE HN212466 3.610 3.700 2.184 1.1442 -0.8276 -0.5289 104DPPE HN312467 3.657 3.813 2.072 -1.4235 -0.0531 -0.2569 104DPPE C1212468 3.706 3.630 2.011 -0.1675 -0.4037 0.4196 104DPPE H12A12469 3.662 3.527 2.010 0.2718 -0.5874 -0.3471 104DPPE H12B12470 3.709 3.662 1.905 -0.9977 1.1085 0.8295 104DPPE C1112471 3.853 3.633 2.056 -0.0203 -0.3917 -0.0592 104DPPE H11A12472 3.898 3.733 2.039 1.8941 -1.3501 -0.8712 104DPPE H11B12473 3.908 3.569 1.984 -1.6296 -0.7114 -1.0746 104DPPE P12474 3.910 3.460 2.216 0.0628 -0.4833 -0.1781 104DPPE O1312475 4.055 3.455 2.184 -0.0052 -0.1736 -0.5420 104DPPE O1412476 3.823 3.371 2.135 -0.4310 0.3668 -0.5956 104DPPE O1112477 3.897 3.433 2.373 -0.0365 -0.9348 -0.2632 104DPPE O1212478 3.855 3.609 2.197 0.1808 -0.4257 -0.0685 104DPPE C112479 3.799 3.513 2.439 0.3946 -0.3494 -0.3271 104DPPE HA12480 3.749 3.444 2.511 1.4173 -2.6079 -1.6837 104DPPE HB12481 3.722 3.550 2.369 1.7014 0.3889 -1.4261 104DPPE C212482 3.867 3.621 2.525 -0.3933 -0.1163 0.0131 104DPPE HS12483 3.891 3.706 2.458 -0.0821 -1.8792 -2.2100 104DPPE O2112484 3.980 3.569 2.597 -0.0116 0.0210 -0.4823 104DPPE C2112485 4.095 3.605 2.540 0.1596 0.1227 -0.0762 104DPPE O2212486 4.108 3.671 2.438 -0.5696 0.3777 -0.0098 104DPPE C2212487 4.211 3.553 2.623 0.1588 0.2815 0.0266 104DPPE H2R12488 4.235 3.447 2.597 2.0261 0.4496 0.9125 104DPPE H2S12489 4.188 3.567 2.731 -1.3379 -3.7223 0.4182 104DPPE C312490 3.776 3.669 2.639 -0.1621 0.5021 -0.0586 104DPPE HX12491 3.735 3.577 2.686 -2.0927 0.5779 -1.4780 104DPPE HY12492 3.683 3.715 2.599 0.1509 1.0983 -0.1056 104DPPE O3112493 3.844 3.758 2.729 0.3922 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C2712511 4.385 3.669 3.022 -0.0371 0.1228 0.4300 104DPPE H7R12512 4.413 3.571 3.066 -0.9842 -0.8975 -1.1524 104DPPE H7S12513 4.275 3.666 3.029 -0.0289 -0.3647 0.3808 104DPPE C2812514 4.451 3.777 3.110 -0.0371 0.5638 -0.1041 104DPPE H8R12515 4.403 3.873 3.084 -0.9500 -0.3097 -1.8319 104DPPE H8S12516 4.559 3.790 3.091 -0.1777 0.7012 -0.8466 104DPPE C2912517 4.436 3.751 3.260 -0.2786 -0.4047 -0.2835 104DPPE H9R12518 4.327 3.753 3.282 -0.8421 -2.1730 -2.5393 104DPPE H9S12519 4.482 3.837 3.313 -1.3117 -0.4963 0.8082 104DPPE C21012520 4.497 3.619 3.306 -0.2681 -0.4434 -0.4077 104DPPE H10R12521 4.429 3.533 3.288 -0.4915 -0.5246 0.7546 104DPPE H10S12522 4.516 3.624 3.415 -0.2807 -2.9767 -0.2407 104DPPE C21112523 4.640 3.590 3.258 -0.0248 0.5529 -0.3040 104DPPE H11R12524 4.710 3.659 3.309 1.2959 -2.3992 2.2267 104DPPE H11S12525 4.651 3.614 3.150 0.8602 0.6537 -0.1981 104DPPE C21212526 4.683 3.444 3.271 -0.1977 0.5009 -0.3027 104DPPE H12R12527 4.636 3.392 3.184 1.0865 0.9852 -1.3295 104DPPE H12S12528 4.643 3.404 3.366 3.5225 0.4625 1.4286 104DPPE C21312529 4.835 3.422 3.267 -0.3142 -0.3608 -0.1464 104DPPE H13R12530 4.859 3.314 3.277 1.4857 0.0558 0.2907 104DPPE H13S12531 4.872 3.470 3.360 -2.8398 2.2994 -0.3642 104DPPE C21412532 4.911 3.473 3.145 -0.0897 -0.5242 -0.0750 104DPPE H14R12533 4.886 3.578 3.118 0.9489 0.2842 1.8910 104DPPE H14S12534 4.871 3.412 3.062 1.1342 -0.0241 -1.0660 104DPPE C21512535 5.062 3.454 3.164 0.0159 0.3501 -0.0062 104DPPE H15R12536 5.083 3.346 3.178 -0.7378 -0.0531 -1.7624 104DPPE H15S12537 5.097 3.505 3.257 -0.3752 0.3193 0.1609 104DPPE C21612538 5.151 3.494 3.047 0.7813 -0.7187 0.2067 104DPPE H16R12539 5.237 3.549 3.090 0.0319 2.2152 -1.7899 104DPPE H16S12540 5.091 3.570 2.993 -1.5250 -2.6264 -0.1092 104DPPE H16T12541 5.174 3.416 2.970 -1.7052 0.8632 -2.2922 104DPPE C3312542 3.933 3.708 3.041 0.4296 0.5228 -0.4792 104DPPE H3X12543 3.967 3.618 2.986 -0.8736 -0.3314 0.0933 104DPPE H3Y12544 3.840 3.677 3.092 -1.0618 1.8897 -2.2392 104DPPE C3412545 4.039 3.752 3.143 0.5644 -0.4034 -0.2149 104DPPE H4X12546 4.134 3.795 3.105 1.4032 -0.6740 1.4733 104DPPE H4Y12547 4.074 3.658 3.192 -0.3808 -2.1065 -2.5948 104DPPE C3512548 3.995 3.844 3.257 -0.0588 -0.8143 -0.1154 104DPPE H5X12549 3.902 3.904 3.242 1.5529 1.9633 0.3060 104DPPE H5Y12550 4.079 3.917 3.263 2.1035 -3.2767 1.3376 104DPPE C3612551 3.976 3.781 3.395 0.0168 -0.4508 0.0619 104DPPE H6X12552 4.074 3.729 3.396 1.2914 1.3378 -4.7217 104DPPE H6Y12553 3.893 3.708 3.390 0.2092 -0.5906 -1.9561 104DPPE C3712554 3.967 3.885 3.507 0.5880 -0.5724 0.2218 104DPPE H7X12555 3.930 3.829 3.596 0.6636 1.1869 1.4184 104DPPE H7Y12556 3.889 3.959 3.482 0.9109 -0.6826 -1.1860 104DPPE C3812557 4.099 3.952 3.547 0.5012 -0.2670 0.0000 104DPPE H8X12558 4.151 4.009 3.467 1.8172 -1.0003 0.2955 104DPPE H8Y12559 4.177 3.882 3.584 0.2571 0.3563 1.7577 104DPPE C3912560 4.090 4.048 3.666 -0.1309 0.3875 -0.5708 104DPPE H9X12561 4.011 4.123 3.643 -2.8365 -1.0865 2.9916 104DPPE H9Y12562 4.188 4.099 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108DPPE C2612992 3.775 0.437 2.668 0.1207 -0.1643 0.0210 108DPPE H6R12993 3.881 0.466 2.654 -0.5774 2.0456 -1.0623 108DPPE H6S12994 3.761 0.345 2.608 1.5357 -1.6972 1.8885 108DPPE C2712995 3.723 0.400 2.807 0.2588 -0.6232 -0.0488 108DPPE H7R12996 3.612 0.390 2.798 0.2332 -1.7592 1.1478 108DPPE H7S12997 3.729 0.491 2.870 -2.5327 -3.3760 4.8935 108DPPE C2812998 3.790 0.286 2.885 0.4948 -0.4014 0.0705 108DPPE H8R12999 3.770 0.188 2.837 -1.0060 0.2973 -0.7869 108DPPE H8S13000 3.736 0.290 2.982 -0.6661 0.2654 -0.5746 108DPPE C2913001 3.942 0.294 2.900 0.5160 0.1461 -0.3888 108DPPE H9R13002 3.992 0.290 2.800 -0.8333 1.6230 -1.1643 108DPPE H9S13003 3.974 0.207 2.962 -0.0529 -0.7265 -1.2703 108DPPE C21013004 3.987 0.414 2.982 0.0077 0.0229 0.0700 108DPPE H10R13005 3.920 0.413 3.071 -1.4828 0.5885 -1.0043 108DPPE H10S13006 3.969 0.511 2.931 -2.4358 0.6505 1.8990 108DPPE C21113007 4.136 0.406 3.016 -0.0368 0.5690 0.4056 108DPPE H11R13008 4.194 0.412 2.922 0.5725 -0.0033 0.7371 108DPPE H11S13009 4.151 0.305 3.059 -0.7593 0.7509 1.1076 108DPPE C21213010 4.179 0.518 3.112 0.3618 0.3870 0.4391 108DPPE H12R13011 4.136 0.615 3.079 0.2465 -0.3245 -1.6650 108DPPE H12S13012 4.290 0.518 3.103 0.4316 -0.5760 1.0654 108DPPE C21313013 4.131 0.512 3.257 -0.2638 -0.5994 0.2058 108DPPE H13R13014 4.136 0.414 3.308 -1.3096 -0.5353 0.4545 108DPPE H13S13015 4.033 0.558 3.279 -0.0773 0.2599 -0.6602 108DPPE C21413016 4.224 0.592 3.350 -0.1477 -0.6327 0.1189 108DPPE H14R13017 4.247 0.695 3.315 1.4006 -0.9442 0.1531 108DPPE H14S13018 4.324 0.545 3.341 0.3495 0.5801 -1.0978 108DPPE C21513019 4.187 0.593 3.498 0.2355 -0.2099 0.2124 108DPPE H15R13020 4.077 0.576 3.502 0.4332 -1.4120 1.2029 108DPPE H15S13021 4.208 0.697 3.533 3.9182 -0.7962 0.0885 108DPPE C21613022 4.267 0.499 3.587 0.1595 -0.0922 0.4062 108DPPE H16R13023 4.363 0.547 3.616 -0.7366 0.4869 2.6449 108DPPE H16S13024 4.296 0.409 3.528 2.3834 -1.0270 2.7136 108DPPE H16T13025 4.204 0.468 3.673 -0.2554 -2.5286 -0.6840 108DPPE C3313026 3.355 0.903 2.704 0.3581 0.0962 -0.3855 108DPPE H3X13027 3.319 0.817 2.765 0.1035 0.8811 0.5956 108DPPE H3Y13028 3.263 0.940 2.654 -0.8697 -1.9403 0.2110 108DPPE C3413029 3.421 1.010 2.791 0.3965 -0.2489 0.0152 108DPPE H4X13030 3.393 1.108 2.748 -2.3810 -0.8885 0.1532 108DPPE H4Y13031 3.532 1.008 2.790 0.4142 0.5575 -0.5794 108DPPE C3513032 3.373 1.008 2.936 0.1311 0.0263 -0.0682 108DPPE H5X13033 3.278 0.952 2.926 -1.3512 2.5935 -1.4936 108DPPE H5Y13034 3.338 1.110 2.963 1.5442 1.0973 -2.0570 108DPPE C3613035 3.487 0.965 3.028 -0.1880 -0.8723 -0.0785 108DPPE H6X13036 3.569 1.041 3.027 -0.7082 -0.2275 -3.2524 108DPPE H6Y13037 3.522 0.871 2.981 -1.4715 0.0189 -3.0371 108DPPE C3713038 3.449 0.958 3.176 0.1361 0.0222 0.0579 108DPPE H7X13039 3.416 1.061 3.203 -2.0744 -0.6160 0.0262 108DPPE H7Y13040 3.542 0.935 3.232 0.6937 -1.9076 -1.5438 108DPPE C3813041 3.335 0.858 3.201 0.0166 0.0430 -0.4018 108DPPE H8X13042 3.362 0.756 3.167 2.4085 -0.2223 1.9810 108DPPE H8Y13043 3.241 0.892 3.152 0.8654 4.8988 0.7695 108DPPE C3913044 3.307 0.850 3.351 -0.2911 0.4065 -0.4366 108DPPE H9X13045 3.261 0.940 3.396 -1.7508 0.1828 -1.4266 108DPPE H9Y13046 3.398 0.805 3.396 -0.8461 -1.0623 -0.7197 108DPPE C31013047 3.213 0.733 3.383 0.0802 0.2153 -0.0294 108DPPE H10X13048 3.255 0.639 3.341 0.0658 0.3701 -0.3935 108DPPE H10Y13049 3.112 0.744 3.339 -0.2728 -4.1760 -0.7852 108DPPE C31113050 3.167 0.713 3.527 0.1030 -0.0817 -0.0626 108DPPE H11X13051 3.132 0.806 3.577 -1.2888 -0.5041 -0.1916 108DPPE H11Y13052 3.258 0.681 3.581 1.0216 0.7340 -1.0802 108DPPE C31213053 3.048 0.618 3.544 0.4091 -0.3803 0.4323 108DPPE H12X13054 3.086 0.521 3.505 -0.6347 -0.7014 0.1868 108DPPE H12Y13055 2.964 0.641 3.475 -0.9515 -1.0625 1.8091 108DPPE C31313056 2.994 0.629 3.687 -0.1028 0.7653 0.1607 108DPPE H13X13057 2.931 0.720 3.696 0.4703 1.3234 -1.0909 108DPPE H13Y13058 3.082 0.644 3.754 -0.7499 0.9172 0.9876 108DPPE C31413059 2.908 0.508 3.722 -0.1192 0.7136 -0.0576 108DPPE H14X13060 2.980 0.438 3.768 0.6401 1.3451 -0.2641 108DPPE H14Y13061 2.869 0.447 3.637 0.4618 -0.8609 0.7674 108DPPE C31513062 2.791 0.526 3.818 -0.2533 0.1228 -0.1070 108DPPE H15X13063 2.734 0.434 3.845 0.8249 -1.5202 -3.0195 108DPPE H15Y13064 2.711 0.598 3.790 1.0718 1.0347 -1.6629 108DPPE C31613065 2.838 0.576 3.955 0.0342 -0.0929 -0.1260 108DPPE H16X13066 2.753 0.571 4.026 0.3659 -0.7318 0.2311 108DPPE H16Y13067 2.878 0.679 3.945 0.8662 -0.2048 1.6542 108DPPE H16Z13068 2.918 0.506 3.986 0.4444 0.2764 -0.3412 109DPPE N13069 1.607 3.795 2.141 0.0101 0.5197 -0.0777 109DPPE HN113070 1.625 3.887 2.187 -0.6977 0.0988 1.0895 109DPPE HN213071 1.597 3.717 2.208 -1.5601 0.4133 -0.3792 109DPPE HN313072 1.690 3.770 2.085 0.6397 1.4010 0.4401 109DPPE C1213073 1.484 3.801 2.053 -0.0938 -0.0188 0.0308 109DPPE H12A13074 1.437 3.703 2.076 1.9306 -0.7292 1.4170 109DPPE H12B13075 1.519 3.800 1.948 1.4297 3.4054 0.3990 109DPPE C1113076 1.387 3.918 2.072 -0.6371 -0.4158 -0.2657 109DPPE H11A13077 1.308 3.892 1.998 -1.2118 -1.6780 0.7491 109DPPE H11B13078 1.441 4.012 2.047 0.5151 -1.5346 -2.2345 109DPPE P13079 1.250 4.052 2.245 -0.0692 -0.2767 -0.2353 109DPPE O1313080 1.105 4.031 2.224 -0.0776 -0.2450 -0.2066 109DPPE O1413081 1.314 4.172 2.187 0.2573 -0.0281 0.6185 109DPPE O1113082 1.269 4.060 2.404 -0.0364 0.3273 -0.2690 109DPPE O1213083 1.335 3.922 2.206 0.6017 0.0218 0.2139 109DPPE C113084 1.400 4.097 2.447 -0.1594 -0.0271 0.4292 109DPPE HA13085 1.384 4.187 2.510 2.6630 1.0467 -0.2096 109DPPE HB13086 1.466 4.129 2.363 1.2829 0.5157 1.7183 109DPPE C213087 1.469 3.982 2.521 0.2170 -0.2318 -0.2277 109DPPE HS13088 1.478 3.906 2.441 -1.3106 1.4891 -2.1643 109DPPE O2113089 1.380 3.937 2.623 0.0215 -0.1279 -0.3525 109DPPE C2113090 1.402 3.808 2.650 -0.6384 -0.1877 -0.0943 109DPPE O2213091 1.475 3.733 2.589 -0.3525 -0.1098 0.1518 109DPPE C2213092 1.331 3.765 2.778 -0.0516 0.1785 0.3592 109DPPE H2R13093 1.407 3.762 2.859 0.4362 -0.3784 -0.1106 109DPPE H2S13094 1.311 3.656 2.769 2.8210 -0.6409 2.3455 109DPPE C313095 1.602 4.034 2.580 -0.1030 0.4975 -0.1382 109DPPE HX13096 1.656 4.074 2.491 1.1404 2.3508 1.3722 109DPPE HY13097 1.664 3.950 2.617 -0.3119 0.1936 -0.4718 109DPPE O3113098 1.592 4.150 2.663 0.0448 0.2334 0.2461 109DPPE C3113099 1.583 4.105 2.789 0.0374 0.3777 0.2979 109DPPE O3213100 1.561 3.990 2.825 -0.4446 0.3458 -0.0859 109DPPE C3213101 1.601 4.221 2.885 -0.7584 0.6807 0.0936 109DPPE H2X13102 1.524 4.301 2.884 0.8513 2.2966 0.1857 109DPPE H2Y13103 1.700 4.269 2.867 -0.0125 -0.8660 -0.1832 109DPPE C2313104 1.207 3.845 2.818 -0.1568 0.0894 0.2113 109DPPE H3R13105 1.128 3.820 2.744 1.6195 -2.1136 -1.1052 109DPPE H3S13106 1.230 3.953 2.810 2.2933 -0.4624 -1.0226 109DPPE C2413107 1.175 3.806 2.963 -1.1505 0.1378 0.0099 109DPPE H4R13108 1.109 3.885 3.005 -2.6204 -1.5706 1.0353 109DPPE H4S13109 1.265 3.793 3.026 -0.1433 -1.5414 -1.6472 109DPPE C2513110 1.101 3.672 2.967 -0.5126 -0.2337 -0.4803 109DPPE H5R13111 1.168 3.590 2.932 1.3611 1.6056 -1.3905 109DPPE H5S13112 1.027 3.686 2.885 0.4428 -1.4618 -1.6050 109DPPE C2613113 1.029 3.647 3.099 0.1966 -0.1377 -0.0675 109DPPE H6R13114 1.108 3.639 3.176 -0.3384 -4.4615 0.2698 109DPPE H6S13115 0.975 3.549 3.099 1.3026 -0.7841 -1.7277 109DPPE C2713116 0.940 3.765 3.140 0.2008 -0.1933 0.1026 109DPPE H7R13117 0.870 3.793 3.059 1.3299 0.7259 -0.5836 109DPPE H7S13118 0.994 3.859 3.160 -1.6414 0.7803 0.7477 109DPPE C2813119 0.863 3.726 3.267 0.3544 -0.3176 0.1582 109DPPE H8R13120 0.822 3.626 3.246 -0.1957 -0.0284 -0.1642 109DPPE H8S13121 0.774 3.792 3.277 1.5427 1.3415 0.2468 109DPPE C2913122 0.938 3.724 3.401 -0.2494 -0.2476 0.4976 109DPPE H9R13123 0.989 3.820 3.421 -0.2666 0.4546 -2.4201 109DPPE H9S13124 1.019 3.649 3.389 -0.6438 -0.6337 0.1831 109DPPE C21013125 0.841 3.695 3.515 -0.6085 -0.3153 0.1781 109DPPE H10R13126 0.829 3.584 3.511 -0.2752 -0.3888 0.9706 109DPPE H10S13127 0.751 3.759 3.508 -0.8270 -0.6927 -0.6305 109DPPE C21113128 0.905 3.727 3.650 -0.2777 0.0668 -0.0731 109DPPE H11R13129 0.915 3.837 3.663 -2.2818 -0.0483 3.7094 109DPPE H11S13130 0.999 3.668 3.661 1.4442 2.1632 -2.3444 109DPPE C21213131 0.828 3.682 3.774 0.0543 0.3350 0.2336 109DPPE H12R13132 0.916 3.683 3.843 1.5111 0.1944 -1.5337 109DPPE H12S13133 0.805 3.575 3.757 -0.9359 0.1861 2.2481 109DPPE C21313134 0.708 3.765 3.820 -0.4579 -0.4340 0.3000 109DPPE H13R13135 0.623 3.751 3.750 -1.0221 -0.3771 0.9605 109DPPE H13S13136 0.740 3.871 3.827 0.8558 -0.8920 1.9688 109DPPE C21413137 0.665 3.722 3.961 -0.1068 -0.5356 0.3798 109DPPE H14R13138 0.648 3.612 3.956 -0.7661 -0.4099 -0.7121 109DPPE H14S13139 0.564 3.765 3.979 -1.6384 -2.7986 -2.0219 109DPPE C21513140 0.762 3.744 4.077 -0.1029 -0.7110 0.4089 109DPPE H15R13141 0.793 3.848 4.096 1.3552 -0.5005 -2.5539 109DPPE H15S13142 0.855 3.694 4.043 -0.1440 -0.9246 0.6040 109DPPE C21613143 0.721 3.678 4.209 0.3397 -0.3474 0.7297 109DPPE H16R13144 0.764 3.746 4.285 -0.1523 0.9408 -0.1026 109DPPE H16S13145 0.750 3.572 4.223 0.1613 -0.9435 -2.5610 109DPPE H16T13146 0.612 3.681 4.226 0.2250 2.3299 -0.0914 109DPPE C3313147 1.601 4.164 3.027 -1.4038 0.3031 -0.0561 109DPPE H3X13148 1.672 4.081 3.044 -1.7939 -0.2505 -1.0544 109DPPE H3Y13149 1.505 4.110 3.046 0.3312 -2.4418 1.5021 109DPPE C3413150 1.621 4.271 3.135 0.1413 -0.1451 0.1247 109DPPE H4X13151 1.534 4.340 3.125 0.7343 0.6452 0.2943 109DPPE H4Y13152 1.718 4.321 3.114 -1.4062 3.1024 0.0085 109DPPE C3513153 1.622 4.209 3.274 0.3794 -0.2169 0.0897 109DPPE H5X13154 1.717 4.154 3.293 -0.0306 -0.4635 1.6026 109DPPE H5Y13155 1.541 4.133 3.279 -0.4255 0.6493 0.4116 109DPPE C3613156 1.618 4.314 3.385 -0.1886 -0.1923 0.0474 109DPPE H6X13157 1.526 4.375 3.385 -0.4460 -0.5785 -0.1933 109DPPE H6Y13158 1.697 4.389 3.362 -0.0837 0.0423 1.0912 109DPPE C3713159 1.633 4.249 3.523 0.4662 -0.1281 0.0125 109DPPE H7X13160 1.716 4.176 3.525 1.0104 0.4734 2.3335 109DPPE H7Y13161 1.538 4.193 3.541 0.4597 -0.2517 -0.3904 109DPPE C3813162 1.638 4.344 3.642 0.4897 -0.0841 -0.0237 109DPPE H8X13163 1.543 4.401 3.643 -0.8116 -2.1220 -1.3125 109DPPE H8Y13164 1.720 4.417 3.626 2.6001 -2.3075 0.0705 109DPPE C3913165 1.632 4.288 3.784 0.4535 0.7847 0.3241 109DPPE H9X13166 1.700 4.200 3.783 -1.5750 -0.8629 -0.4356 109DPPE H9Y13167 1.531 4.253 3.817 1.3203 0.0024 2.3550 109DPPE C31013168 1.670 4.382 3.899 0.0058 0.8077 0.4571 109DPPE H10X13169 1.658 4.324 3.993 1.8449 0.8929 0.7769 109DPPE H10Y13170 1.615 4.478 3.897 -0.7079 0.4041 0.1970 109DPPE C31113171 1.818 4.419 3.897 0.3333 -0.4899 -0.3712 109DPPE H11X13172 1.827 4.520 3.942 -0.3210 0.5662 -2.4945 109DPPE H11Y13173 1.861 4.436 3.796 0.0537 3.3591 0.0197 109DPPE C31213174 1.911 4.334 3.984 0.6478 0.2017 -0.0200 109DPPE H12X13175 2.008 4.387 3.981 0.6794 0.1785 0.5591 109DPPE H12Y13176 1.914 4.229 3.947 -2.1354 0.5461 -1.4814 109DPPE C31313177 1.882 4.342 4.134 0.5913 0.4898 -0.0465 109DPPE H13X13178 1.800 4.269 4.155 0.5480 0.5861 0.1154 109DPPE H13Y13179 1.846 4.441 4.168 -0.2560 -0.3284 1.5590 109DPPE C31413180 2.001 4.313 4.225 0.0761 -0.5022 0.3343 109DPPE H14X13181 2.090 4.363 4.181 0.1624 -1.3132 -0.4444 109DPPE H14Y13182 2.018 4.206 4.248 -0.2499 -0.4027 1.0714 109DPPE C31513183 1.975 4.379 4.361 0.2490 -0.0664 0.1569 109DPPE H15X13184 1.870 4.348 4.376 -0.0874 0.6211 -0.6903 109DPPE H15Y13185 1.974 4.489 4.343 -0.5638 -0.4835 -2.9498 109DPPE C31613186 2.060 4.328 4.477 -0.1016 -0.7020 0.1386 109DPPE H16X13187 2.170 4.342 4.468 -0.3650 0.0162 -2.7990 109DPPE H16Y13188 2.025 4.225 4.499 -4.2396 0.5651 0.3649 109DPPE H16Z13189 2.035 4.392 4.565 0.0702 -0.4218 -0.0133 110DPPE N13190 5.516 1.925 2.329 -0.1524 -0.4205 -0.2967 110DPPE HN113191 5.554 1.887 2.419 1.7720 0.1640 -0.8126 110DPPE HN213192 5.425 1.973 2.341 -0.6429 -1.0028 -1.5974 110DPPE HN313193 5.482 1.842 2.277 0.8090 0.1443 -1.8831 110DPPE C1213194 5.621 1.998 2.249 -0.1107 0.0222 0.1563 110DPPE H12A13195 5.594 1.993 2.142 3.6133 -0.6329 -0.9028 110DPPE H12B13196 5.711 1.933 2.250 0.8631 1.3170 0.3059 110DPPE C1113197 5.657 2.133 2.311 -0.2084 0.1972 -0.1690 110DPPE H11A13198 5.571 2.204 2.304 -0.4126 0.2475 2.1732 110DPPE H11B13199 5.738 2.160 2.239 -0.5207 -0.7880 -0.9110 110DPPE P13200 5.798 2.237 2.491 -0.1066 0.0357 -0.2369 110DPPE O1313201 5.770 2.358 2.410 0.5314 0.0685 -0.4139 110DPPE O1413202 5.936 2.185 2.494 -0.3672 -0.6511 0.1427 110DPPE O1113203 5.749 2.260 2.642 0.3331 0.1535 -0.1117 110DPPE O1213204 5.710 2.112 2.442 0.6890 -0.3771 -0.6182 110DPPE C113205 5.832 2.356 2.708 0.0540 0.5793 -0.3772 110DPPE HA13206 5.820 2.446 2.644 -0.3861 0.9886 0.2629 110DPPE HB13207 5.935 2.314 2.708 0.9745 2.7185 -0.5036 110DPPE C213208 5.782 2.389 2.850 -0.0634 0.4062 -0.3774 110DPPE HS13209 5.790 2.290 2.902 0.4672 0.6310 -0.0192 110DPPE O2113210 5.648 2.439 2.851 -0.1845 0.0809 -0.1027 110DPPE C2113211 5.589 2.423 2.970 0.5671 0.1189 0.2882 110DPPE O2213212 5.626 2.354 3.063 0.8386 0.3668 0.3639 110DPPE C2213213 5.467 2.514 2.975 0.5470 0.1130 -0.0620 110DPPE H2R13214 5.389 2.489 2.899 1.0501 -4.1796 0.5888 110DPPE H2S13215 5.506 2.616 2.958 -0.8746 0.3681 -2.1619 110DPPE C313216 5.872 2.495 2.916 0.2335 -0.2029 0.2065 110DPPE HX13217 5.830 2.591 2.880 -1.4222 -0.2503 1.8152 110DPPE HY13218 5.976 2.475 2.883 -0.0948 -0.7098 -0.5473 110DPPE O3113219 5.864 2.485 3.059 0.0250 -0.1566 0.1981 110DPPE C3113220 5.932 2.387 3.119 0.2333 -0.0379 0.1590 110DPPE O3213221 6.007 2.311 3.060 0.0223 -0.0664 -0.0839 110DPPE C3213222 5.898 2.385 3.267 0.3392 0.1180 0.1848 110DPPE H2X13223 5.788 2.379 3.276 0.4776 -0.4118 1.7400 110DPPE H2Y13224 5.930 2.479 3.318 -0.9357 0.0426 1.1717 110DPPE C2313225 5.414 2.504 3.118 -0.2015 -0.0594 -0.3436 110DPPE H3R13226 5.488 2.538 3.193 0.2446 2.1990 -1.7314 110DPPE H3S13227 5.390 2.396 3.129 -1.3073 0.1954 -0.0880 110DPPE C2413228 5.284 2.578 3.148 -0.0069 0.2539 -0.2676 110DPPE H4R13229 5.207 2.538 3.078 -0.6742 0.7540 0.1650 110DPPE H4S13230 5.298 2.687 3.136 -0.7334 0.5800 1.5399 110DPPE C2513231 5.223 2.564 3.288 0.0599 -0.4887 -0.3086 110DPPE H5R13232 5.131 2.625 3.284 0.6717 0.5984 1.0458 110DPPE H5S13233 5.290 2.618 3.358 -1.1937 -0.3030 0.7810 110DPPE C2613234 5.190 2.421 3.330 -0.4783 -0.2395 0.1242 110DPPE H6R13235 5.283 2.362 3.346 0.0736 1.0098 1.8037 110DPPE H6S13236 5.117 2.379 3.257 -0.2881 3.9262 -2.8207 110DPPE C2713237 5.121 2.409 3.466 -0.4498 -0.1977 0.1421 110DPPE H7R13238 5.101 2.301 3.481 0.2617 -0.6352 -1.7540 110DPPE H7S13239 5.038 2.482 3.457 -1.2473 -0.9191 1.3406 110DPPE C2813240 5.213 2.444 3.583 -0.1017 -0.3133 -0.0952 110DPPE H8R13241 5.245 2.548 3.563 -0.0893 -0.9603 -4.3223 110DPPE H8S13242 5.301 2.377 3.574 0.2458 0.1591 -0.2628 110DPPE C2913243 5.150 2.428 3.721 -0.3240 -0.7377 -0.2447 110DPPE H9R13244 5.227 2.442 3.800 0.2118 -0.3521 -0.8296 110DPPE H9S13245 5.101 2.328 3.727 -1.8297 0.0381 1.6144 110DPPE C21013246 5.034 2.525 3.746 0.2913 -0.0300 -0.1244 110DPPE H10R13247 4.944 2.517 3.682 0.8669 0.4095 -1.0092 110DPPE H10S13248 5.072 2.624 3.711 -2.7225 -0.0056 -3.9963 110DPPE C21113249 4.981 2.513 3.889 -0.0453 0.2903 -0.2227 110DPPE H11R13250 5.076 2.496 3.944 -0.1933 -1.6216 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1.0883 110DPPE C3313268 5.980 2.280 3.342 -0.5492 -0.7099 0.0110 110DPPE H3X13269 6.082 2.311 3.314 -0.9557 0.1824 -0.5166 110DPPE H3Y13270 5.969 2.177 3.300 0.8490 0.2709 -3.0314 110DPPE C3413271 5.967 2.290 3.494 0.0627 0.7569 -0.0140 110DPPE H4X13272 5.867 2.259 3.533 0.2663 -2.2439 -1.5652 110DPPE H4Y13273 5.963 2.400 3.507 -1.7105 0.5923 1.2535 110DPPE C3513274 6.081 2.232 3.578 -0.4219 -0.2962 -0.0568 110DPPE H5X13275 6.178 2.268 3.537 -1.7862 2.4219 -1.1583 110DPPE H5Y13276 6.058 2.124 3.587 -1.3027 -0.3432 -2.1991 110DPPE C3613277 6.090 2.301 3.715 0.3020 -0.6991 0.1030 110DPPE H6X13278 6.126 2.238 3.799 -2.2345 -0.0662 1.7842 110DPPE H6Y13279 5.986 2.327 3.746 -0.2628 -1.9186 -0.6869 110DPPE C3713280 6.169 2.432 3.716 -0.4907 -0.2184 0.2664 110DPPE H7X13281 6.116 2.503 3.649 -0.8142 -1.4061 -0.7762 110DPPE H7Y13282 6.268 2.413 3.670 -0.1858 0.9451 0.4326 110DPPE C3813283 6.187 2.492 3.855 0.1092 -0.3998 0.2661 110DPPE H8X13284 6.248 2.422 3.916 1.6894 1.9400 1.5354 110DPPE H8Y13285 6.088 2.503 3.903 0.2678 -0.8970 0.7206 110DPPE C3913286 6.253 2.630 3.851 -0.6544 -0.0186 0.6533 110DPPE H9X13287 6.167 2.695 3.823 -0.5014 -0.6991 -1.5667 110DPPE H9Y13288 6.340 2.642 3.783 -1.1245 -1.8430 -0.3410 110DPPE C31013289 6.299 2.659 3.994 0.1178 0.0527 0.3958 110DPPE H10X13290 6.353 2.576 4.045 -1.3271 -1.5639 -0.6020 110DPPE H10Y13291 6.215 2.689 4.061 1.3259 2.6703 0.8896 110DPPE C31113292 6.385 2.785 4.009 -0.1973 0.3502 -0.2493 110DPPE H11X13293 6.342 2.881 3.975 0.9817 0.4531 -1.5647 110DPPE H11Y13294 6.482 2.770 3.955 -0.8854 -1.1773 -1.1484 110DPPE C31213295 6.425 2.812 4.155 0.6022 0.1071 -0.4163 110DPPE H12X13296 6.443 2.708 4.191 -1.9629 -1.1973 -2.4736 110DPPE H12Y13297 6.336 2.854 4.207 0.9358 -1.1142 1.2298 110DPPE C31313298 6.531 2.920 4.177 0.2695 0.3542 -0.0181 110DPPE H13X13299 6.507 2.996 4.099 0.0992 0.0395 -0.2770 110DPPE H13Y13300 6.634 2.885 4.156 0.4892 1.7060 -1.3319 110DPPE C31413301 6.518 2.979 4.317 0.0769 0.1761 0.0408 110DPPE H14X13302 6.498 2.903 4.396 0.0161 1.8689 1.7377 110DPPE H14Y13303 6.436 3.055 4.317 0.8157 1.3014 4.6564 110DPPE C31513304 6.643 3.056 4.360 0.1467 -0.0957 0.3254 110DPPE H15X13305 6.671 3.127 4.280 -0.1145 -0.0941 0.2346 110DPPE H15Y13306 6.730 2.987 4.363 0.2946 0.1066 1.1284 110DPPE C31613307 6.632 3.130 4.493 -0.2901 0.4355 -0.0050 110DPPE H16X13308 6.576 3.062 4.561 -2.1023 3.4863 1.7940 110DPPE H16Y13309 6.569 3.221 4.483 1.1833 1.5022 0.0653 110DPPE H16Z13310 6.729 3.171 4.529 0.0070 1.8336 -2.2235 111DPPE N13311 3.264 5.121 1.938 -0.2837 -0.4637 0.2231 111DPPE HN113312 3.276 5.117 1.835 1.8175 2.0748 0.2768 111DPPE HN213313 3.217 5.213 1.946 1.2671 0.5504 -1.5231 111DPPE HN313314 3.197 5.050 1.976 2.9401 -2.8588 1.9148 111DPPE C1213315 3.397 5.119 2.009 0.0481 -0.1572 -0.3791 111DPPE H12A13316 3.380 5.101 2.118 0.5206 -0.7227 -0.3955 111DPPE H12B13317 3.450 5.036 1.959 1.5906 1.3549 -1.3517 111DPPE C1113318 3.467 5.254 1.994 0.3581 -0.1883 0.6660 111DPPE H11A13319 3.507 5.253 1.890 -1.0648 2.0192 0.0405 111DPPE H11B13320 3.555 5.262 2.061 -0.0467 -2.2987 1.5085 111DPPE P13321 3.390 5.455 2.136 0.0026 -0.3279 -0.1905 111DPPE O1313322 3.328 5.588 2.115 -0.1386 -0.3797 -0.1079 111DPPE O1413323 3.530 5.465 2.180 -0.1703 -0.0285 0.2981 111DPPE O1113324 3.320 5.394 2.266 0.1485 -0.2698 -0.0853 111DPPE O1213325 3.371 5.359 2.008 -0.2088 -0.6105 0.0502 111DPPE C113326 3.177 5.403 2.271 0.1385 -0.6714 0.4164 111DPPE HA13327 3.131 5.310 2.310 -2.1686 0.5918 0.8478 111DPPE HB13328 3.121 5.425 2.178 -0.3709 -1.8213 0.4379 111DPPE C213329 3.135 5.514 2.369 0.0272 -0.1280 -0.2435 111DPPE HS13330 3.154 5.608 2.312 0.3404 0.1587 0.3337 111DPPE O2113331 3.222 5.501 2.481 0.2848 0.5786 -0.3522 111DPPE C2113332 3.221 5.603 2.567 -0.0178 0.0801 0.2557 111DPPE O2213333 3.169 5.712 2.545 -0.1867 -0.1117 -0.3295 111DPPE C2213334 3.310 5.575 2.687 0.3466 0.1793 0.0118 111DPPE H2R13335 3.411 5.600 2.649 -0.4017 1.5843 -1.1524 111DPPE H2S13336 3.307 5.467 2.713 0.0860 -0.4131 -2.2858 111DPPE C313337 2.983 5.514 2.394 0.1252 0.7475 0.3935 111DPPE HX13338 2.955 5.497 2.288 -1.4708 -0.3032 0.9427 111DPPE HY13339 2.941 5.608 2.436 0.2122 -0.1258 2.5183 111DPPE O3113340 2.943 5.398 2.467 0.1518 0.4180 -0.1121 111DPPE C3113341 2.927 5.421 2.597 0.0853 -0.2101 -0.0043 111DPPE O3213342 2.974 5.517 2.656 0.6548 -0.2889 -0.3271 111DPPE C3213343 2.855 5.305 2.664 0.1308 -0.1816 0.0948 111DPPE H2X13344 2.901 5.205 2.651 0.6027 0.0000 0.3676 111DPPE H2Y13345 2.748 5.310 2.632 0.5032 3.4690 -1.0493 111DPPE C2313346 3.259 5.648 2.812 0.3122 0.3656 -0.1092 111DPPE H3R13347 3.150 5.629 2.824 0.2172 1.9354 1.9481 111DPPE H3S13348 3.282 5.755 2.796 -1.0484 0.2905 -3.3872 111DPPE C2413349 3.339 5.606 2.935 -0.0945 0.2814 0.1295 111DPPE H4R13350 3.439 5.641 2.902 -0.9240 2.3920 -0.2921 111DPPE H4S13351 3.347 5.495 2.942 1.8931 0.4703 4.6831 111DPPE C2513352 3.305 5.664 3.072 -0.1359 0.4028 0.0675 111DPPE H5R13353 3.227 5.599 3.116 1.0770 -0.6882 0.7001 111DPPE H5S13354 3.266 5.768 3.070 -0.4049 0.3620 1.7349 111DPPE C2613355 3.420 5.667 3.174 -0.0331 -0.0747 -0.0311 111DPPE H6R13356 3.501 5.711 3.113 0.7542 -1.4880 -0.0341 111DPPE H6S13357 3.463 5.573 3.214 3.9158 1.8447 0.7294 111DPPE C2713358 3.388 5.768 3.285 -0.0197 0.2189 -0.2946 111DPPE H7R13359 3.295 5.743 3.340 0.1514 0.2037 -0.0121 111DPPE H7S13360 3.370 5.870 3.244 -1.0856 -0.4700 -1.6165 111DPPE C2813361 3.503 5.758 3.385 -0.0230 -0.3225 -0.3463 111DPPE H8R13362 3.599 5.789 3.338 -0.8530 -1.2189 -2.7794 111DPPE H8S13363 3.529 5.657 3.423 3.0424 0.5360 0.1484 111DPPE C2913364 3.475 5.826 3.519 0.3725 0.4308 -0.6407 111DPPE H9R13365 3.385 5.780 3.563 -0.1949 2.3890 0.3459 111DPPE H9S13366 3.441 5.927 3.488 -0.4540 -0.2299 -1.9665 111DPPE C21013367 3.586 5.843 3.623 -0.3036 -0.2913 0.2110 111DPPE H10R13368 3.685 5.876 3.585 -0.7311 1.0346 0.2042 111DPPE H10S13369 3.601 5.744 3.673 2.2869 1.5505 3.4894 111DPPE C21113370 3.560 5.948 3.731 0.1347 0.1460 -0.1054 111DPPE H11R13371 3.606 5.911 3.825 -0.8788 -1.2310 -0.1226 111DPPE H11S13372 3.451 5.951 3.755 0.0769 -0.9871 -0.1847 111DPPE C21213373 3.615 6.086 3.695 0.1487 0.2510 0.3055 111DPPE H12R13374 3.576 6.125 3.598 -0.6211 -0.2618 0.4009 111DPPE H12S13375 3.725 6.079 3.680 0.1455 -1.4760 0.9544 111DPPE C21313376 3.569 6.189 3.798 -0.4514 -0.0609 0.3520 111DPPE H13R13377 3.601 6.155 3.899 1.9514 2.0131 0.3924 111DPPE H13S13378 3.458 6.194 3.788 -0.5174 1.6216 1.5130 111DPPE C21413379 3.618 6.333 3.783 -0.2658 -0.2053 -0.4892 111DPPE H14R13380 3.608 6.368 3.678 1.5619 2.4108 0.1052 111DPPE H14S13381 3.724 6.334 3.814 -0.4877 -0.7411 0.3184 111DPPE C21513382 3.560 6.439 3.878 -0.2087 0.0056 -0.6875 111DPPE H15R13383 3.572 6.394 3.979 -0.1989 -1.9167 -1.4931 111DPPE H15S13384 3.450 6.448 3.865 -0.3854 1.1674 1.3025 111DPPE C21613385 3.624 6.577 3.869 0.5064 -0.2480 0.2598 111DPPE H16R13386 3.558 6.646 3.926 2.3072 1.6137 0.2186 111DPPE H16S13387 3.632 6.615 3.765 1.2189 -1.9728 -0.3526 111DPPE H16T13388 3.721 6.595 3.921 0.5513 1.5870 -0.3651 111DPPE C3313389 2.850 5.330 2.814 -0.0621 0.0680 0.0480 111DPPE H3X13390 2.762 5.272 2.849 -0.1238 -0.9105 -1.6299 111DPPE H3Y13391 2.830 5.438 2.832 -1.7289 -0.2760 0.4748 111DPPE C3413392 2.983 5.280 2.870 0.3702 0.4891 -0.5936 111DPPE H4X13393 3.077 5.328 2.835 1.9760 -1.3352 0.9512 111DPPE H4Y13394 2.982 5.170 2.857 0.1702 0.7757 -3.6521 111DPPE C3513395 2.987 5.310 3.020 -0.6549 -0.4329 -0.3753 111DPPE H5X13396 2.901 5.257 3.068 -1.7683 0.4975 -1.2807 111DPPE H5Y13397 2.969 5.418 3.038 0.3801 -0.6259 2.3230 111DPPE C3613398 3.121 5.272 3.084 -0.4008 0.5411 -0.3085 111DPPE H6X13399 3.184 5.333 3.016 -0.6100 1.1497 0.0387 111DPPE H6Y13400 3.140 5.163 3.070 1.1764 0.7226 0.3259 111DPPE C3713401 3.151 5.327 3.223 0.7218 0.5495 -0.5476 111DPPE H7X13402 3.061 5.292 3.278 0.8376 -0.3668 -0.9329 111DPPE H7Y13403 3.153 5.438 3.224 -0.3441 0.5903 1.1517 111DPPE C3813404 3.275 5.270 3.292 0.1783 -0.7215 -0.5940 111DPPE H8X13405 3.366 5.310 3.242 -1.1488 2.2088 -0.8522 111DPPE H8Y13406 3.267 5.166 3.254 -0.9013 -0.3452 -1.4406 111DPPE C3913407 3.288 5.259 3.444 0.8183 0.0241 -0.5894 111DPPE H9X13408 3.375 5.196 3.471 -0.6696 -2.1907 -0.6956 111DPPE H9Y13409 3.199 5.201 3.477 -0.9568 2.3473 -1.0322 111DPPE C31013410 3.302 5.396 3.511 0.2004 -0.1040 -0.1868 111DPPE H10X13411 3.218 5.460 3.474 -0.1148 0.0167 0.7251 111DPPE H10Y13412 3.399 5.445 3.486 0.7679 -0.6011 0.9685 111DPPE C31113413 3.297 5.379 3.663 0.0278 -0.0016 -0.1806 111DPPE H11X13414 3.380 5.306 3.676 1.4865 1.3773 -1.3833 111DPPE H11Y13415 3.209 5.331 3.710 1.3154 -1.4776 0.8234 111DPPE C31213416 3.314 5.505 3.747 -0.2557 0.0770 -0.2391 111DPPE H12X13417 3.219 5.563 3.747 -0.4454 -0.2235 0.6352 111DPPE H12Y13418 3.380 5.579 3.696 0.3010 -1.1587 -1.3462 111DPPE C31313419 3.375 5.485 3.886 -0.2255 -0.2266 -0.2967 111DPPE H13X13420 3.484 5.470 3.871 -0.3207 -0.3717 -0.8938 111DPPE H13Y13421 3.344 5.383 3.920 0.0764 -0.6278 -1.1991 111DPPE C31413422 3.322 5.587 3.987 0.0812 -0.4054 0.0472 111DPPE H14X13423 3.212 5.597 3.978 -0.2335 -1.5191 2.2269 111DPPE H14Y13424 3.361 5.690 3.973 -1.6995 0.3288 0.2814 111DPPE C31513425 3.357 5.547 4.130 -0.6161 0.2430 0.4055 111DPPE H15X13426 3.289 5.465 4.161 -1.5685 0.4421 -1.0464 111DPPE H15Y13427 3.343 5.627 4.206 -0.4538 1.4418 -0.7814 111DPPE C31613428 3.504 5.508 4.147 -0.3841 0.8736 -0.1014 111DPPE H16X13429 3.521 5.502 4.256 -0.6254 1.9261 0.0060 111DPPE H16Y13430 3.538 5.415 4.096 -0.0830 1.0352 -0.1957 111DPPE H16Z13431 3.567 5.587 4.102 1.1081 0.0721 0.5061 112DPPE N13432 1.347 5.395 1.926 0.4347 0.5106 0.1750 112DPPE HN113433 1.350 5.449 1.836 -0.5786 0.9950 0.4235 112DPPE HN213434 1.289 5.310 1.921 0.3684 0.5266 0.7052 112DPPE HN313435 1.313 5.463 1.997 0.9413 1.3841 -0.3923 112DPPE C1213436 1.484 5.350 1.972 0.0674 -0.1935 0.5742 112DPPE H12A13437 1.479 5.239 1.984 -0.3091 -0.4942 -1.8929 112DPPE H12B13438 1.556 5.359 1.888 0.1612 2.0595 0.8338 112DPPE C1113439 1.526 5.429 2.096 0.4243 0.0503 0.2996 112DPPE H11A13440 1.534 5.539 2.083 -1.1259 -0.0762 -2.6991 112DPPE H11B13441 1.619 5.383 2.136 -0.4323 -2.1005 -0.0138 112DPPE P13442 1.416 5.293 2.297 0.3730 -0.0559 0.1047 112DPPE O1313443 1.540 5.311 2.376 0.6459 -0.1128 -0.3045 112DPPE O1413444 1.410 5.164 2.224 0.1728 -0.2210 0.4076 112DPPE O1113445 1.290 5.308 2.395 0.6928 -0.0423 0.5160 112DPPE O1213446 1.420 5.412 2.191 0.3456 0.0374 0.2091 112DPPE C113447 1.268 5.435 2.458 0.4911 0.1006 0.1613 112DPPE HA13448 1.168 5.410 2.501 -0.0976 4.0755 1.5357 112DPPE HB13449 1.253 5.516 2.384 -1.3259 -1.7250 -1.6221 112DPPE C213450 1.358 5.467 2.578 -0.1884 0.4319 0.5912 112DPPE HS13451 1.457 5.502 2.541 0.3022 -0.2166 1.2435 112DPPE O2113452 1.369 5.350 2.661 -0.3914 0.2279 0.3345 112DPPE C2113453 1.497 5.317 2.677 -0.2792 0.7865 0.6563 112DPPE O2213454 1.595 5.388 2.663 0.4412 -0.2783 0.0846 112DPPE C2213455 1.512 5.166 2.695 -0.0989 0.7250 0.0261 112DPPE H2R13456 1.528 5.121 2.595 -0.8972 -0.5737 0.4675 112DPPE H2S13457 1.420 5.122 2.737 1.2460 -1.4586 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H5S13475 1.670 4.970 3.007 -0.0739 0.0594 -1.8186 112DPPE C2613476 1.656 5.104 3.175 -0.1993 -0.0521 0.0395 112DPPE H6R13477 1.553 5.064 3.189 0.0000 -0.7964 -0.5579 112DPPE H6S13478 1.672 5.214 3.182 -1.6139 0.1407 0.6438 112DPPE C2713479 1.757 5.033 3.265 -0.0996 0.0934 0.0426 112DPPE H7R13480 1.863 5.062 3.248 1.0752 -2.5738 2.0974 112DPPE H7S13481 1.755 4.926 3.235 -3.3248 0.4214 -1.3026 112DPPE C2813482 1.721 5.034 3.414 0.0807 -0.1012 0.0890 112DPPE H8R13483 1.781 4.968 3.479 -2.5715 -3.7353 -0.8421 112DPPE H8S13484 1.620 4.988 3.409 1.1349 -2.5043 -3.3270 112DPPE C2913485 1.715 5.173 3.477 0.5850 0.1043 -0.3053 112DPPE H9R13486 1.631 5.233 3.434 -0.1594 0.3728 1.4353 112DPPE H9S13487 1.804 5.233 3.448 0.6466 -0.5881 -1.6316 112DPPE C21013488 1.700 5.163 3.629 -0.0935 -0.2667 -0.3903 112DPPE H10R13489 1.639 5.074 3.652 -1.6277 1.0461 0.8735 112DPPE H10S13490 1.667 5.263 3.665 0.9791 0.7784 -2.1487 112DPPE C21113491 1.839 5.148 3.692 -0.0172 0.5314 -0.3549 112DPPE H11R13492 1.893 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114DPPE H16T13751 1.014 4.518 4.273 2.0492 0.5734 2.2495 114DPPE C3313752 0.610 4.541 2.945 -0.2053 0.6345 0.0990 114DPPE H3X13753 0.615 4.508 3.051 0.1117 -2.6410 -0.8494 114DPPE H3Y13754 0.502 4.538 2.917 -0.1925 -0.7462 0.1550 114DPPE C3413755 0.672 4.681 2.933 0.3243 0.3912 -0.0113 114DPPE H4X13756 0.610 4.745 2.999 0.0365 0.2112 -0.1057 114DPPE H4Y13757 0.668 4.717 2.828 3.0098 0.8842 -0.0260 114DPPE C3513758 0.817 4.705 2.974 0.3796 0.4200 -0.2207 114DPPE H5X13759 0.839 4.810 2.948 3.7775 -0.6273 -2.3376 114DPPE H5Y13760 0.882 4.650 2.902 0.2382 -0.9214 0.6409 114DPPE C3613761 0.848 4.712 3.124 -0.1447 0.5138 -0.1173 114DPPE H6X13762 0.811 4.615 3.164 2.3159 -0.9393 -1.1393 114DPPE H6Y13763 0.784 4.796 3.158 0.2491 -0.5547 3.6850 114DPPE C3713764 0.994 4.744 3.157 0.0299 0.3243 -0.7010 114DPPE H7X13765 1.012 4.844 3.114 0.6885 0.3443 -0.3860 114DPPE H7Y13766 1.068 4.683 3.101 1.7121 2.9113 -1.4527 114DPPE C3813767 1.030 4.760 3.304 -0.3171 0.2500 -0.6053 114DPPE H8X13768 0.967 4.834 3.356 2.1570 1.6959 0.5413 114DPPE H8Y13769 1.136 4.794 3.301 -0.0872 -0.2896 0.5853 114DPPE C3913770 1.006 4.627 3.376 -0.3584 0.2411 -0.6356 114DPPE H9X13771 1.013 4.532 3.320 0.2618 -0.6796 0.9141 114DPPE H9Y13772 0.903 4.641 3.417 0.0151 3.5438 -0.5299 114DPPE C31013773 1.108 4.608 3.489 -0.7426 0.6623 -0.2147 114DPPE H10X13774 1.118 4.709 3.533 -0.1457 0.5761 -0.1481 114DPPE H10Y13775 1.207 4.569 3.458 -1.2921 0.0702 -1.2758 114DPPE C31113776 1.062 4.512 3.600 -0.1416 -0.1474 -0.6607 114DPPE H11X13777 1.054 4.406 3.566 2.9415 -0.9775 0.7732 114DPPE H11Y13778 0.961 4.531 3.641 -1.2195 -1.8439 -2.3428 114DPPE C31213779 1.173 4.508 3.706 -0.5041 0.3466 -0.2580 114DPPE H12X13780 1.209 4.610 3.729 -0.9376 0.5233 -0.3597 114DPPE H12Y13781 1.266 4.464 3.664 -0.1794 1.3469 -0.6135 114DPPE C31313782 1.142 4.439 3.839 0.2065 -0.5680 -0.5556 114DPPE H13X13783 1.107 4.334 3.825 1.3416 -0.8258 -1.5917 114DPPE H13Y13784 1.062 4.501 3.885 1.2202 -0.4351 1.1200 114DPPE C31413785 1.266 4.442 3.929 0.0464 -0.8324 -0.3253 114DPPE H14X13786 1.292 4.547 3.954 -1.0190 -1.3522 3.6906 114DPPE H14Y13787 1.345 4.394 3.869 -0.7678 -1.2590 -1.0819 114DPPE C31513788 1.243 4.365 4.060 0.1766 0.3210 0.3956 114DPPE H15X13789 1.223 4.260 4.028 2.9120 -0.2457 0.2746 114DPPE H15Y13790 1.149 4.413 4.094 -0.3091 0.1614 -0.6711 114DPPE C31613791 1.343 4.349 4.174 -0.1150 0.7717 0.7143 114DPPE H16X13792 1.309 4.281 4.256 1.1829 0.3068 0.8976 114DPPE H16Y13793 1.373 4.447 4.218 0.0845 1.4946 -0.9815 114DPPE H16Z13794 1.432 4.296 4.135 1.8979 3.4370 1.4005 115DPPE N13795 5.468 0.001 2.023 0.1726 0.3690 0.3103 115DPPE HN113796 5.367 0.008 2.001 -0.2435 2.5639 2.4183 115DPPE HN213797 5.493 0.073 2.094 -3.2274 0.9152 1.1231 115DPPE HN313798 5.514 0.027 1.934 0.2418 0.5553 0.3981 115DPPE C1213799 5.490 -0.146 2.051 -0.2998 0.2073 -0.1632 115DPPE H12A13800 5.458 -0.210 1.966 0.1114 -0.8212 0.4491 115DPPE H12B13801 5.416 -0.177 2.128 0.3987 -1.0446 0.0246 115DPPE C1113802 5.637 -0.179 2.077 -0.5218 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115DPPE C21113854 5.927 0.072 3.689 -0.3481 0.0360 -0.2927 115DPPE H11R13855 5.921 -0.024 3.745 1.3684 1.0913 1.8276 115DPPE H11S13856 5.826 0.100 3.653 -1.5900 0.3073 3.0621 115DPPE C21213857 5.984 0.172 3.789 -0.4657 -0.3417 0.1564 115DPPE H12R13858 5.902 0.193 3.860 0.5891 -1.6667 1.8554 115DPPE H12S13859 6.007 0.269 3.740 -0.1104 -1.1464 -1.3152 115DPPE C21313860 6.105 0.120 3.867 -0.1179 -0.0156 -0.1599 115DPPE H13R13861 6.200 0.105 3.811 0.2141 -0.1372 0.4288 115DPPE H13S13862 6.086 0.020 3.912 0.1505 -0.0027 -0.0143 115DPPE C21413863 6.152 0.230 3.962 -0.0629 0.0583 -0.2735 115DPPE H14R13864 6.093 0.224 4.055 2.6842 -1.4609 1.4861 115DPPE H14S13865 6.131 0.333 3.924 -0.7093 1.0398 2.5579 115DPPE C21513866 6.302 0.224 3.993 -0.1753 -0.0734 0.2475 115DPPE H15R13867 6.356 0.236 3.897 -0.2202 3.0288 0.5180 115DPPE H15S13868 6.325 0.124 4.036 -1.0327 0.0855 1.1199 115DPPE C21613869 6.341 0.328 4.097 0.0662 -0.0430 0.1276 115DPPE H16R13870 6.291 0.425 4.075 1.6919 1.1085 1.2091 115DPPE H16S13871 6.451 0.338 4.106 0.2353 -0.3686 -1.4294 115DPPE H16T13872 6.320 0.298 4.202 2.9441 0.8817 1.0517 115DPPE C3313873 5.247 -0.425 2.669 -0.1468 -0.5397 -0.8965 115DPPE H3X13874 5.354 -0.417 2.698 -0.0336 0.2262 -1.4934 115DPPE H3Y13875 5.235 -0.527 2.628 2.5193 -1.1985 -0.2007 115DPPE C3413876 5.170 -0.408 2.801 0.2158 -0.4851 -0.6920 115DPPE H4X13877 5.077 -0.467 2.791 -1.3768 2.1404 -3.3480 115DPPE H4Y13878 5.151 -0.299 2.816 -1.8306 -0.7979 -0.7728 115DPPE C3513879 5.244 -0.469 2.920 -0.0321 -0.1625 -0.3722 115DPPE H5X13880 5.341 -0.423 2.947 -1.1274 0.1168 3.8701 115DPPE H5Y13881 5.259 -0.578 2.908 1.6121 -0.0189 0.1505 115DPPE C3613882 5.151 -0.459 3.041 0.3099 -0.0388 -0.1178 115DPPE H6X13883 5.061 -0.524 3.031 0.5144 -0.6178 1.4447 115DPPE H6Y13884 5.125 -0.352 3.053 0.3143 -0.3271 4.2163 115DPPE C3713885 5.227 -0.497 3.168 0.5204 -0.1781 -0.2847 115DPPE H7X13886 5.314 -0.427 3.171 0.5877 -0.1886 -1.5228 115DPPE H7Y13887 5.266 -0.600 3.158 0.8936 -0.1599 0.8066 115DPPE C3813888 5.144 -0.471 3.294 0.0375 -0.1522 -0.6094 115DPPE H8X13889 5.039 -0.505 3.280 -1.4227 3.5222 0.2452 115DPPE H8Y13890 5.115 -0.364 3.303 -0.6150 -0.4524 1.4947 115DPPE C3913891 5.205 -0.526 3.423 0.1206 0.0732 -0.5517 115DPPE H9X13892 5.301 -0.475 3.446 -0.8756 0.8624 2.2903 115DPPE H9Y13893 5.238 -0.631 3.407 1.4420 0.5664 -1.2490 115DPPE C31013894 5.119 -0.497 3.546 -0.3970 -0.7633 -0.7101 115DPPE H10X13895 5.018 -0.543 3.530 -0.7644 0.0883 -0.8800 115DPPE H10Y13896 5.105 -0.387 3.537 -2.0144 -0.9893 -1.2932 115DPPE C31113897 5.183 -0.529 3.681 -0.3764 0.2027 -0.4831 115DPPE H11X13898 5.289 -0.499 3.667 0.2887 -2.1404 -1.0246 115DPPE H11Y13899 5.168 -0.639 3.693 2.6879 -0.2723 -0.0600 115DPPE C31213900 5.130 -0.467 3.810 -0.0403 0.5987 -0.5350 115DPPE H12X13901 5.020 -0.473 3.810 -0.0535 0.2426 1.3650 115DPPE H12Y13902 5.151 -0.358 3.815 -2.3314 1.0225 2.0408 115DPPE C31313903 5.186 -0.546 3.929 -0.5602 0.4721 -0.3741 115DPPE H13X13904 5.296 -0.545 3.940 -0.3604 -1.2081 -1.7861 115DPPE H13Y13905 5.165 -0.654 3.916 -1.7204 0.8941 -2.5409 115DPPE C31413906 5.127 -0.497 4.062 0.1840 0.7931 -0.1578 115DPPE H14X13907 5.105 -0.577 4.136 -2.8814 1.1428 -0.5472 115DPPE H14Y13908 5.029 -0.451 4.040 -1.5792 -2.1180 0.9828 115DPPE C31513909 5.226 -0.399 4.125 0.3691 0.3038 0.3241 115DPPE H15X13910 5.246 -0.322 4.048 -1.2788 0.8613 0.4109 115DPPE H15Y13911 5.322 -0.449 4.151 0.7171 1.9337 2.4486 115DPPE C31613912 5.183 -0.319 4.247 -0.3240 0.0100 0.2748 115DPPE H16X13913 5.102 -0.246 4.226 -0.6866 -0.3145 0.5103 115DPPE H16Y13914 5.273 -0.264 4.281 1.0022 -0.9354 -1.5376 115DPPE H16Z13915 5.144 -0.389 4.325 2.2366 1.9416 3.5411 116DPPE N13916 1.579 0.447 2.516 -0.0368 0.0464 0.1201 116DPPE HN113917 1.490 0.418 2.562 -1.9986 1.1891 -2.6695 116DPPE HN213918 1.633 0.362 2.490 1.7112 0.7457 1.2922 116DPPE HN313919 1.624 0.498 2.595 -0.1044 -0.7987 0.7256 116DPPE C1213920 1.568 0.546 2.403 0.4610 -0.6583 -0.5526 116DPPE H12A13921 1.520 0.500 2.313 -0.6767 -1.7731 0.5676 116DPPE H12B13922 1.500 0.631 2.424 -0.8920 -1.4535 -1.5548 116DPPE C1113923 1.707 0.566 2.342 0.4105 0.5914 -0.2788 116DPPE H11A13924 1.710 0.664 2.291 -0.4717 1.1175 0.6502 116DPPE H11B13925 1.716 0.479 2.273 -0.7108 1.2533 -1.2963 116DPPE P13926 1.952 0.592 2.386 -0.0617 0.2548 -0.9417 116DPPE O1313927 1.972 0.737 2.371 -0.1347 0.2772 -0.8260 116DPPE O1413928 1.975 0.520 2.259 0.3354 -0.1146 -0.6640 116DPPE O1113929 2.052 0.540 2.499 -0.2870 -0.3565 -1.0176 116DPPE O1213930 1.806 0.564 2.446 0.2924 0.0083 -0.1738 116DPPE C113931 2.101 0.406 2.509 0.6992 0.0551 -0.0096 116DPPE HA13932 2.202 0.396 2.554 0.3778 0.2909 0.7812 116DPPE HB13933 2.110 0.356 2.410 -1.3340 -1.3447 0.4409 116DPPE C213934 2.007 0.320 2.595 0.2296 0.4317 -0.1457 116DPPE HS13935 1.905 0.316 2.550 0.2849 -2.0821 -0.1404 116DPPE O2113936 1.998 0.387 2.722 -0.3527 0.2133 -0.0683 116DPPE C2113937 1.903 0.346 2.806 -0.1957 0.2152 0.1099 116DPPE O2213938 1.806 0.277 2.776 -0.2364 0.1696 0.3411 116DPPE C2213939 1.922 0.404 2.945 -0.2442 0.6383 -0.0579 116DPPE H2R13940 1.875 0.504 2.953 -1.5054 0.1427 -0.8579 116DPPE H2S13941 2.031 0.399 2.964 -0.3907 -0.1782 0.6729 116DPPE C313942 2.055 0.175 2.612 -0.6841 0.1013 -0.2863 116DPPE HX13943 2.088 0.151 2.508 -0.5434 0.9791 -0.4546 116DPPE HY13944 1.968 0.115 2.645 0.1126 0.6577 3.2169 116DPPE O3113945 2.158 0.172 2.712 -0.1960 0.0306 -0.7828 116DPPE C3113946 2.224 0.057 2.704 0.2140 0.2167 -0.1343 116DPPE O3213947 2.184 -0.032 2.630 -0.4319 0.0046 0.4622 116DPPE C3213948 2.352 0.063 2.787 0.1811 -0.1701 -0.0527 116DPPE H2X13949 2.339 0.133 2.873 0.2960 -0.8532 0.5268 116DPPE H2Y13950 2.437 0.091 2.722 -0.9359 1.6585 -0.8034 116DPPE C2313951 1.828 0.321 3.034 -0.4474 0.2713 -0.6057 116DPPE H3R13952 1.844 0.215 3.008 0.7466 0.3637 -0.3385 116DPPE H3S13953 1.722 0.349 3.019 -0.9514 -0.1845 1.7194 116DPPE C2413954 1.857 0.342 3.183 -0.4605 0.2067 -0.5941 116DPPE H4R13955 1.967 0.355 3.190 -0.3496 -1.3845 2.3122 116DPPE H4S13956 1.848 0.244 3.235 2.5456 0.1214 -0.0465 116DPPE C2513957 1.791 0.465 3.247 0.1690 0.0976 0.2843 116DPPE H5R13958 1.682 0.450 3.244 0.0699 0.7919 -1.5398 116DPPE H5S13959 1.815 0.553 3.182 1.5584 -1.1324 -0.9716 116DPPE C2613960 1.840 0.497 3.388 0.4285 0.6336 0.0793 116DPPE H6R13961 1.949 0.518 3.394 -0.0512 3.2484 0.8910 116DPPE H6S13962 1.810 0.409 3.450 -0.0195 2.6768 2.9276 116DPPE C2713963 1.772 0.621 3.446 0.2786 0.6985 -0.2354 116DPPE H7R13964 1.663 0.616 3.423 -0.0756 -0.0741 1.4148 116DPPE H7S13965 1.817 0.706 3.390 2.9850 -1.5314 -1.7268 116DPPE C2813966 1.798 0.632 3.596 0.2202 -0.0483 -0.1628 116DPPE H8R13967 1.905 0.656 3.615 0.3058 -0.2312 -0.4139 116DPPE H8S13968 1.774 0.537 3.647 0.7424 0.3523 0.8619 116DPPE C2913969 1.710 0.748 3.645 -0.2400 -0.3413 -0.2892 116DPPE H9R13970 1.606 0.741 3.607 -0.8178 3.2309 0.2712 116DPPE H9S13971 1.747 0.845 3.606 -1.5946 0.5254 0.4833 116DPPE C21013972 1.694 0.761 3.797 0.3568 -0.4864 -0.2099 116DPPE H10R13973 1.642 0.860 3.799 3.0002 0.9945 1.2851 116DPPE H10S13974 1.787 0.776 3.856 -0.3531 -0.3254 0.8887 116DPPE C21113975 1.622 0.652 3.875 -0.0598 0.0823 0.2113 116DPPE H11R13976 1.677 0.557 3.861 0.5339 0.4896 -0.2198 116DPPE H11S13977 1.530 0.629 3.818 0.0748 1.2685 -0.5003 116DPPE C21213978 1.586 0.671 4.023 -0.0087 0.4581 0.1761 116DPPE H12R13979 1.533 0.580 4.059 0.4948 0.7201 1.6396 116DPPE H12S13980 1.525 0.763 4.026 -0.0568 0.4614 -0.7428 116DPPE C21313981 1.709 0.679 4.114 -0.0747 -0.0585 0.3177 116DPPE H13R13982 1.781 0.759 4.084 -1.3666 1.0528 0.0838 116DPPE H13S13983 1.757 0.580 4.103 -0.6650 -0.8830 3.9377 116DPPE C21413984 1.676 0.684 4.263 0.0489 -0.5093 0.3604 116DPPE H14R13985 1.627 0.781 4.286 1.2483 0.1883 0.0400 116DPPE H14S13986 1.775 0.672 4.311 -0.0385 -1.4798 0.3187 116DPPE C21513987 1.576 0.573 4.299 -0.5784 -0.1741 -0.3202 116DPPE H15R13988 1.615 0.483 4.247 3.2464 -0.5416 2.7519 116DPPE H15S13989 1.477 0.603 4.258 -2.7424 -1.3002 3.5822 116DPPE C21613990 1.560 0.545 4.448 -0.3944 -0.3587 -0.3345 116DPPE H16R13991 1.664 0.543 4.487 -0.6739 1.5180 0.6398 116DPPE H16S13992 1.513 0.446 4.467 -1.0711 -0.1079 -0.7091 116DPPE H16T13993 1.505 0.628 4.497 1.2504 0.8379 -0.4227 116DPPE C3313994 2.372 -0.072 2.855 0.0437 0.0322 0.3990 116DPPE H3X13995 2.417 -0.146 2.785 1.2427 0.9370 0.1888 116DPPE H3Y13996 2.271 -0.106 2.886 -0.2170 1.8760 1.7187 116DPPE C3413997 2.445 -0.065 2.989 -0.0081 -1.1128 0.4985 116DPPE H4X13998 2.386 0.003 3.055 1.1959 1.3481 -0.8348 116DPPE H4Y13999 2.542 -0.012 2.976 -0.4917 -0.4831 -0.6923 116DPPE C3514000 2.455 -0.200 3.061 0.0275 -1.0735 0.5661 116DPPE H5X14001 2.526 -0.273 3.017 1.2951 -1.3152 2.8502 116DPPE H5Y14002 2.352 -0.236 3.045 -0.4186 0.6396 -0.7984 116DPPE C3614003 2.482 -0.200 3.212 0.1247 0.6010 0.5698 116DPPE H6X14004 2.380 -0.177 3.251 -0.4977 -1.5575 0.3468 116DPPE H6Y14005 2.550 -0.127 3.259 1.4352 0.1271 -0.5374 116DPPE C3714006 2.535 -0.336 3.256 -0.9982 0.0491 0.2669 116DPPE H7X14007 2.630 -0.355 3.202 -1.0843 1.0207 -0.2474 116DPPE H7Y14008 2.460 -0.414 3.232 -2.7588 2.1191 -1.3700 116DPPE C3814009 2.574 -0.342 3.404 0.6230 -0.1634 -0.1493 116DPPE H8X14010 2.489 -0.290 3.452 2.8429 1.5986 2.1342 116DPPE H8Y14011 2.668 -0.283 3.410 1.0188 -0.6815 -1.0119 116DPPE C3914012 2.607 -0.480 3.462 0.3482 -0.0105 0.3801 116DPPE H9X14013 2.683 -0.524 3.394 -0.2030 1.2743 -1.1425 116DPPE H9Y14014 2.515 -0.541 3.471 -0.5819 0.9699 -1.8236 116DPPE C31014015 2.653 -0.443 3.603 0.6871 0.0193 0.2636 116DPPE H10X14016 2.565 -0.417 3.666 -0.6425 -2.4443 -0.4356 116DPPE H10Y14017 2.725 -0.359 3.602 0.1012 0.5429 0.8192 116DPPE C31114018 2.736 -0.549 3.676 0.3356 -0.3074 0.1960 116DPPE H11X14019 2.821 -0.579 3.610 1.5201 0.6363 1.2427 116DPPE H11Y14020 2.673 -0.638 3.692 -2.0651 1.6074 2.3058 116DPPE C31214021 2.792 -0.500 3.809 0.2488 -0.2702 0.2183 116DPPE H12X14022 2.712 -0.485 3.885 -1.1436 0.9620 -1.4092 116DPPE H12Y14023 2.841 -0.401 3.793 -1.9433 1.2204 1.9997 116DPPE C31314024 2.894 -0.590 3.880 0.4939 0.2953 0.5937 116DPPE H13X14025 2.933 -0.535 3.968 0.3864 -1.4180 1.7571 116DPPE H13Y14026 2.980 -0.618 3.816 1.9147 3.4230 0.9570 116DPPE C31414027 2.829 -0.705 3.957 -0.1546 0.5052 0.3696 116DPPE H14X14028 2.790 -0.776 3.880 -0.4649 0.0132 0.9716 116DPPE H14Y14029 2.737 -0.661 4.002 0.5080 3.9611 -1.3279 116DPPE C31514030 2.927 -0.787 4.041 -0.3078 0.0927 0.1486 116DPPE H15X14031 2.888 -0.876 4.095 1.2770 -1.3042 -0.9041 116DPPE H15Y14032 2.943 -0.715 4.124 1.2536 -0.6245 0.4982 116DPPE C31614033 3.060 -0.817 3.974 -0.1725 0.1831 0.3761 116DPPE H16X14034 3.043 -0.883 3.886 1.6808 2.3446 -1.7657 116DPPE H16Y14035 3.132 -0.859 4.047 -1.1527 -5.0197 -1.2244 116DPPE H16Z14036 3.104 -0.717 3.952 -0.8398 0.8685 1.9858 117DPPE N14037 4.918 2.003 2.361 -0.5334 0.0350 0.1976 117DPPE HN114038 5.001 1.947 2.332 -0.2391 1.3841 -1.7222 117DPPE HN214039 4.929 2.024 2.462 0.3611 -0.5953 0.2507 117DPPE HN314040 4.838 1.941 2.337 -0.3064 -0.7896 1.4678 117DPPE C1214041 4.912 2.128 2.277 0.4590 0.2056 0.3589 117DPPE H12A14042 5.004 2.183 2.304 0.2354 0.0096 1.5553 117DPPE H12B14043 4.910 2.093 2.171 0.1995 -0.0932 0.4600 117DPPE C1114044 4.776 2.196 2.301 -0.2233 -1.2300 0.6728 117DPPE H11A14045 4.692 2.138 2.258 0.8648 -1.3422 -1.4589 117DPPE H11B14046 4.782 2.289 2.241 -1.3186 -2.8790 -2.2340 117DPPE P14047 4.661 2.322 2.486 -0.1686 0.3680 0.1738 117DPPE O1314048 4.526 2.276 2.445 -0.1352 0.0755 0.3838 117DPPE O1414049 4.704 2.456 2.440 -0.3615 0.3492 -0.0643 117DPPE O1114050 4.662 2.303 2.645 0.0399 -0.0997 0.1200 117DPPE O1214051 4.768 2.211 2.442 -0.0970 0.2940 0.5309 117DPPE C114052 4.645 2.172 2.698 0.0194 0.1071 0.6359 117DPPE HA14053 4.732 2.163 2.767 -0.2086 0.1344 0.9280 117DPPE HB14054 4.653 2.095 2.618 1.0692 -0.0517 0.8751 117DPPE C214055 4.513 2.159 2.776 -0.3753 -0.1546 -0.0664 117DPPE HS14056 4.432 2.162 2.700 -1.6964 1.3985 1.3124 117DPPE O2114057 4.497 2.267 2.868 -0.0241 0.3755 -0.6185 117DPPE C2114058 4.372 2.314 2.872 -0.2304 -0.1916 -0.2559 117DPPE O2214059 4.271 2.273 2.816 -0.3614 -0.1572 -0.0442 117DPPE C2214060 4.366 2.438 2.960 -0.5531 -0.4826 0.1356 117DPPE H2R14061 4.343 2.526 2.897 -2.0167 -1.0196 -0.1233 117DPPE H2S14062 4.468 2.452 3.001 -0.8758 0.9250 0.5073 117DPPE C314063 4.507 2.022 2.846 -0.0025 0.0132 0.2972 117DPPE HX14064 4.596 2.015 2.912 -0.3631 -0.7231 0.7150 117DPPE HY14065 4.508 1.939 2.773 -3.3751 -2.3978 2.6475 117DPPE O3114066 4.393 2.003 2.931 0.0761 -0.7032 0.2429 117DPPE C3114067 4.290 1.945 2.868 0.1589 -0.4179 -0.1631 117DPPE O3214068 4.273 1.936 2.748 -0.0588 0.6354 -0.2223 117DPPE C3214069 4.189 1.892 2.969 0.0162 -0.3372 -0.2626 117DPPE H2X14070 4.242 1.855 3.060 0.9679 -2.7615 -1.7150 117DPPE H2Y14071 4.125 1.815 2.922 -0.0166 -0.1327 -0.5542 117DPPE C2314072 4.266 2.420 3.074 -0.2868 -0.4991 0.3675 117DPPE H3R14073 4.264 2.310 3.083 1.1139 -0.7144 -1.4555 117DPPE H3S14074 4.170 2.470 3.046 1.0368 1.9725 -0.0066 117DPPE C2414075 4.316 2.494 3.198 0.1443 -0.3134 0.0832 117DPPE H4R14076 4.319 2.605 3.201 0.9899 -0.3257 0.0544 117DPPE H4S14077 4.423 2.470 3.213 1.3407 2.4857 -2.6365 117DPPE C2514078 4.241 2.434 3.317 -0.3473 0.0526 -0.0415 117DPPE H5R14079 4.284 2.474 3.411 1.6074 -0.4964 -0.6612 117DPPE H5S14080 4.231 2.324 3.321 0.6058 -0.0483 -0.1692 117DPPE C2614081 4.094 2.477 3.324 -0.3272 0.2050 -0.4578 117DPPE H6R14082 4.040 2.464 3.228 -0.8392 -0.9604 -0.0348 117DPPE H6S14083 4.096 2.581 3.362 2.1269 0.9645 -2.4440 117DPPE C2714084 4.024 2.391 3.430 0.0543 0.1698 -0.2322 117DPPE H7R14085 4.049 2.283 3.417 -1.1022 -0.1276 -0.0886 117DPPE H7S14086 3.915 2.411 3.423 0.0657 1.2177 1.8749 117DPPE C2814087 4.051 2.431 3.575 0.4213 0.0420 -0.2644 117DPPE H8R14088 4.159 2.428 3.600 -0.0641 2.0385 2.5324 117DPPE H8S14089 4.003 2.353 3.639 -1.0213 1.9948 1.1508 117DPPE C2914090 4.005 2.573 3.609 0.3760 -0.1008 0.2840 117DPPE H9R14091 3.935 2.577 3.695 -0.4649 -1.6386 -0.2956 117DPPE H9S14092 3.939 2.614 3.530 -0.4758 0.2412 1.1573 117DPPE C21014093 4.109 2.681 3.639 0.0825 0.1860 0.2623 117DPPE H10R14094 4.051 2.776 3.646 0.1516 0.2233 0.3297 117DPPE H10S14095 4.161 2.703 3.543 -1.6101 -1.1067 -1.0195 117DPPE C21114096 4.207 2.679 3.756 0.3555 0.0994 0.0307 117DPPE H11R14097 4.284 2.603 3.729 1.6402 1.4580 -0.2681 117DPPE H11S14098 4.162 2.657 3.855 0.2541 0.7259 0.1245 117DPPE C21214099 4.274 2.814 3.781 -0.0492 0.1980 0.5803 117DPPE H12R14100 4.297 2.871 3.689 -1.7056 -0.9630 -0.6168 117DPPE H12S14101 4.369 2.783 3.829 0.4601 -0.2560 -0.6782 117DPPE C21314102 4.191 2.893 3.882 -0.1917 0.0570 0.5739 117DPPE H13R14103 4.154 2.827 3.963 -3.3615 1.6701 0.6051 117DPPE H13S14104 4.094 2.918 3.833 -0.7678 -1.5686 0.8386 117DPPE C21414105 4.268 3.019 3.921 0.8320 -0.5441 0.5142 117DPPE H14R14106 4.204 3.105 3.950 1.8886 -0.0511 1.4730 117DPPE H14S14107 4.333 3.049 3.836 -1.2159 1.1575 -0.5488 117DPPE C21514108 4.349 2.987 4.047 0.2395 -0.4042 0.9337 117DPPE H15R14109 4.429 2.913 4.024 1.3448 -0.3342 4.1125 117DPPE H15S14110 4.283 2.941 4.124 -0.1207 -0.5716 0.5342 117DPPE C21614111 4.409 3.110 4.115 0.1022 0.0978 0.1611 117DPPE H16R14112 4.469 3.086 4.206 -0.4305 -0.0477 0.4784 117DPPE H16S14113 4.328 3.178 4.148 1.5790 0.6375 3.0242 117DPPE H16T14114 4.461 3.172 4.039 0.4495 -0.4754 -0.0819 117DPPE C3314115 4.082 1.999 2.993 -0.1795 -0.5609 -0.1321 117DPPE H3X14116 4.049 2.020 2.889 0.2591 0.0400 -0.1581 117DPPE H3Y14117 4.127 2.089 3.041 0.4917 0.0755 -1.8717 117DPPE C3414118 3.961 1.950 3.072 -0.2225 0.0991 0.2153 117DPPE H4X14119 3.885 1.889 3.018 0.3691 -1.3717 1.0020 117DPPE H4Y14120 3.907 2.044 3.097 2.5158 1.9123 -0.2604 117DPPE C3514121 3.994 1.884 3.206 0.6809 0.0672 -0.0211 117DPPE H5X14122 4.043 1.952 3.278 -1.0385 -0.9549 2.2195 117DPPE H5Y14123 4.070 1.804 3.190 -0.2239 -0.6225 -1.0035 117DPPE C3614124 3.869 1.831 3.276 0.4829 -0.5755 -0.8390 117DPPE H6X14125 3.898 1.798 3.378 -0.6433 -0.0578 -0.3378 117DPPE H6Y14126 3.832 1.739 3.226 0.2358 -0.9841 0.0810 117DPPE C3714127 3.761 1.938 3.292 0.3246 -0.8310 -0.1547 117DPPE H7X14128 3.662 1.894 3.317 -0.4116 1.5799 1.4768 117DPPE H7Y14129 3.737 1.987 3.195 0.8978 -0.5556 -0.1650 117DPPE C3814130 3.787 2.057 3.384 -0.2207 -0.5113 -0.4064 117DPPE H8X14131 3.709 2.135 3.370 0.2228 -0.1053 -0.6442 117DPPE H8Y14132 3.891 2.096 3.377 -1.0572 2.2574 0.9859 117DPPE C3914133 3.780 2.012 3.530 0.3721 0.3743 -0.0953 117DPPE H9X14134 3.845 1.923 3.549 -0.6113 0.0427 1.9709 117DPPE H9Y14135 3.676 1.984 3.555 0.1573 0.5004 -0.8485 117DPPE C31014136 3.824 2.120 3.629 -0.3389 0.3441 0.2543 117DPPE H10X14137 3.770 2.217 3.625 1.1478 1.1830 -0.1383 117DPPE H10Y14138 3.930 2.145 3.608 -0.8167 2.2525 -0.0894 117DPPE C31114139 3.823 2.061 3.770 0.1475 -0.4437 -0.0649 117DPPE H11X14140 3.880 1.966 3.770 -1.2055 -1.2991 0.3922 117DPPE H11Y14141 3.716 2.044 3.797 -0.9116 2.0649 -2.1856 117DPPE C31214142 3.868 2.172 3.866 -1.0454 0.4352 -0.5007 117DPPE H12X14143 3.800 2.260 3.866 -2.5231 -0.6502 -1.6253 117DPPE H12Y14144 3.973 2.203 3.851 -1.4928 1.6356 -1.3504 117DPPE C31314145 3.860 2.114 4.007 0.2197 0.4483 -0.4179 117DPPE H13X14146 3.917 2.019 3.993 -1.5245 -0.6369 -0.4823 117DPPE H13Y14147 3.753 2.088 4.020 0.2869 -0.6359 -1.7699 117DPPE C31414148 3.929 2.197 4.115 0.0513 0.2049 -0.1212 117DPPE H14X14149 3.885 2.298 4.100 -1.2999 -0.2025 0.9604 117DPPE H14Y14150 4.040 2.189 4.105 0.2989 0.2941 2.0638 117DPPE C31514151 3.898 2.157 4.260 -0.1181 0.4286 -0.0953 117DPPE H15X14152 3.790 2.148 4.282 0.3315 -0.1937 2.0123 117DPPE H15Y14153 3.939 2.241 4.320 -1.6312 0.2410 1.2678 117DPPE C31614154 3.975 2.035 4.312 -0.4807 -0.0757 -0.7216 117DPPE H16X14155 3.918 1.990 4.396 2.2732 0.0281 1.3175 117DPPE H16Y14156 4.073 2.064 4.356 -1.2247 0.1499 0.8521 117DPPE H16Z14157 3.989 1.959 4.233 -0.3386 1.0319 -1.8023 118DPPE N14158 2.545 1.171 2.138 -0.4845 -0.2426 0.1239 118DPPE HN114159 2.592 1.244 2.195 0.6527 -1.2851 0.5588 118DPPE HN214160 2.441 1.173 2.143 -0.4848 -1.2452 0.8023 118DPPE HN314161 2.576 1.083 2.185 -0.2128 1.7613 4.1013 118DPPE C1214162 2.605 1.151 2.001 0.1383 0.4860 0.2836 118DPPE H12A14163 2.559 1.229 1.936 -0.8601 -0.0469 0.3282 118DPPE H12B14164 2.569 1.050 1.972 4.8355 -0.4074 -3.7822 118DPPE C1114165 2.758 1.153 2.007 0.1574 -0.0423 0.0113 118DPPE H11A14166 2.782 1.255 2.044 -0.6461 0.6020 -1.1864 118DPPE H11B14167 2.791 1.145 1.901 -0.6229 -1.1778 -0.1737 118DPPE P14168 2.951 1.002 2.026 -0.3353 0.2538 -0.1712 118DPPE O1314169 3.031 1.126 2.022 0.0382 0.0164 -0.1991 118DPPE O1414170 2.923 0.930 1.899 -0.3421 -0.1092 0.0358 118DPPE O1114171 3.010 0.901 2.135 -0.1289 -0.1644 -0.6609 118DPPE O1214172 2.811 1.048 2.088 -0.4148 -0.2964 0.0620 118DPPE C114173 2.920 0.809 2.195 0.1370 -0.1083 -0.1658 118DPPE HA14174 2.985 0.726 2.231 -1.1474 -1.4704 -0.8474 118DPPE HB14175 2.839 0.773 2.128 -0.9048 2.8110 -0.6134 118DPPE C214176 2.848 0.857 2.322 0.4263 0.1083 -0.0837 118DPPE HS14177 2.780 0.942 2.299 0.9642 0.8215 0.8699 118DPPE O2114178 2.945 0.891 2.422 0.1290 -0.1532 0.2994 118DPPE C2114179 2.893 0.968 2.518 0.5020 0.2236 0.2063 118DPPE O2214180 2.775 0.992 2.540 0.2970 -0.1839 -0.4291 118DPPE C2214181 3.007 1.024 2.601 0.5200 0.4334 0.0388 118DPPE H2R14182 3.099 1.057 2.548 -0.1594 2.6231 0.1384 118DPPE H2S14183 3.036 0.928 2.649 -0.6862 -0.1165 -0.2917 118DPPE C314184 2.759 0.744 2.375 0.6481 0.0339 0.1345 118DPPE HX14185 2.698 0.707 2.289 -0.1896 5.0923 -1.8140 118DPPE HY14186 2.685 0.797 2.439 -1.3030 -0.0899 -1.8804 118DPPE O3114187 2.828 0.640 2.445 0.2191 -0.3960 -0.0708 118DPPE C3114188 2.816 0.516 2.395 -0.1712 -0.4105 0.0542 118DPPE O3214189 2.784 0.493 2.280 0.2248 -0.3290 -0.0746 118DPPE C3214190 2.852 0.410 2.499 0.3055 0.1323 0.4539 118DPPE H2X14191 2.962 0.408 2.519 0.7260 -4.4907 -1.1140 118DPPE H2Y14192 2.816 0.316 2.452 1.2696 0.4354 -0.9589 118DPPE C2314193 2.956 1.126 2.702 -0.7169 -0.5707 0.4549 118DPPE H3R14194 2.859 1.099 2.750 -0.1940 -1.5801 0.9607 118DPPE H3S14195 2.933 1.217 2.642 3.1386 1.6020 1.8937 118DPPE C2414196 3.057 1.165 2.810 -0.6101 0.0605 0.1305 118DPPE H4R14197 3.150 1.205 2.764 1.3784 -2.0989 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H10R14215 3.029 1.368 3.568 -1.4214 1.0741 -1.4951 118DPPE H10S14216 3.172 1.391 3.454 -0.4915 1.0228 0.3402 118DPPE C21114217 3.170 1.203 3.545 -0.4379 0.3692 0.1527 118DPPE H11R14218 3.231 1.167 3.459 1.6246 -1.2576 2.2024 118DPPE H11S14219 3.100 1.131 3.592 1.1496 -1.3827 -0.0525 118DPPE C21214220 3.276 1.257 3.641 -0.1083 0.0236 -0.0151 118DPPE H12R14221 3.223 1.290 3.733 -1.2820 0.8110 -0.9621 118DPPE H12S14222 3.343 1.334 3.597 -0.5061 -0.6540 -1.8997 118DPPE C21314223 3.379 1.148 3.673 -0.2340 -0.0957 -0.0129 118DPPE H13R14224 3.452 1.192 3.745 -1.5985 0.7775 0.8893 118DPPE H13S14225 3.437 1.126 3.581 -0.8993 1.0811 -0.7343 118DPPE C21414226 3.314 1.020 3.724 -0.5667 0.0128 -0.1680 118DPPE H14R14227 3.267 0.963 3.640 3.8694 -1.6024 -1.8222 118DPPE H14S14228 3.241 1.040 3.805 1.1179 -1.0817 1.6947 118DPPE C21514229 3.412 0.915 3.776 -0.3340 0.3897 0.1524 118DPPE H15R14230 3.490 0.976 3.827 -1.0821 1.2139 0.3307 118DPPE H15S14231 3.461 0.867 3.689 0.8272 1.3457 0.2379 118DPPE C21614232 3.351 0.818 3.877 -0.1253 0.2994 0.1915 118DPPE H16R14233 3.429 0.739 3.890 1.4080 1.2592 -2.3362 118DPPE H16S14234 3.259 0.771 3.837 -0.4469 2.8856 -2.4366 118DPPE H16T14235 3.342 0.874 3.973 -1.0610 1.8583 -0.7577 118DPPE C3314236 2.783 0.427 2.634 -0.2773 0.1965 0.1500 118DPPE H3X14237 2.691 0.489 2.631 1.0280 2.1952 -0.2044 118DPPE H3Y14238 2.861 0.481 2.692 -1.3652 1.7856 0.2042 118DPPE C3414239 2.772 0.294 2.709 0.3265 0.1574 0.1690 118DPPE H4X14240 2.872 0.245 2.716 1.2143 2.0474 1.8790 118DPPE H4Y14241 2.697 0.242 2.646 -0.5849 1.1843 0.3900 118DPPE C3514242 2.721 0.308 2.852 0.2860 0.9944 0.0793 118DPPE H5X14243 2.782 0.393 2.888 -0.1818 1.0454 0.7705 118DPPE H5Y14244 2.744 0.218 2.913 -0.7477 1.1678 0.7583 118DPPE C3614245 2.572 0.339 2.871 0.1187 0.1652 0.1663 118DPPE H6X14246 2.522 0.249 2.828 1.1198 -0.1977 -0.2791 118DPPE H6Y14247 2.537 0.412 2.795 -1.4320 0.6329 1.2901 118DPPE C3714248 2.527 0.359 3.015 0.1033 -0.0442 0.1911 118DPPE H7X14249 2.599 0.425 3.067 2.8237 -1.3379 -1.7164 118DPPE H7Y14250 2.533 0.265 3.075 2.3347 0.4154 0.7601 118DPPE C3814251 2.380 0.404 3.021 0.2608 0.5376 -0.2496 118DPPE H8X14252 2.324 0.331 2.959 2.5837 0.2079 -2.1061 118DPPE H8Y14253 2.375 0.506 2.977 -0.0858 -0.1644 -1.8869 118DPPE C3914254 2.315 0.393 3.159 0.0652 -0.4517 -0.4121 118DPPE H9X14255 2.224 0.456 3.166 -0.9159 -1.7403 -1.1594 118DPPE H9Y14256 2.392 0.424 3.233 -1.0713 -0.2627 0.7329 118DPPE C31014257 2.270 0.250 3.187 0.6042 -0.4606 0.4637 118DPPE H10X14258 2.347 0.174 3.162 0.0844 -1.2187 1.1227 118DPPE H10Y14259 2.178 0.235 3.126 -0.9173 0.3117 2.4613 118DPPE C31114260 2.217 0.225 3.328 -0.0945 0.1759 0.3203 118DPPE H11X14261 2.122 0.283 3.333 0.0512 0.6220 -1.5242 118DPPE H11Y14262 2.296 0.258 3.400 -0.3667 1.6167 -0.0166 118DPPE C31214263 2.192 0.076 3.353 0.0113 0.0725 -0.1901 118DPPE H12X14264 2.298 0.045 3.346 -0.0351 0.1244 -1.2790 118DPPE H12Y14265 2.128 0.020 3.281 -1.1542 -0.0444 0.9001 118DPPE C31314266 2.131 0.057 3.492 0.7249 0.5464 0.1931 118DPPE H13X14267 2.025 0.091 3.497 0.1518 -1.1632 0.1069 118DPPE H13Y14268 2.190 0.105 3.573 0.9456 -0.0535 0.3856 118DPPE C31414269 2.129 -0.088 3.539 0.0223 0.4142 -0.2267 118DPPE H14X14270 2.058 -0.150 3.480 -1.5353 1.8442 0.0617 118DPPE H14Y14271 2.092 -0.096 3.643 -0.1904 1.8097 -0.1759 118DPPE C31514272 2.270 -0.148 3.533 -0.1997 -0.0491 -0.9756 118DPPE H15X14273 2.342 -0.077 3.579 -0.6743 -0.2064 0.0343 118DPPE H15Y14274 2.301 -0.182 3.432 0.5896 0.7266 -1.0137 118DPPE C31614275 2.283 -0.273 3.619 -0.2205 0.5823 -0.0401 118DPPE H16X14276 2.382 -0.322 3.626 -1.2257 -1.3349 2.3382 118DPPE H16Y14277 2.207 -0.355 3.618 1.7682 -1.4099 1.7216 118DPPE H16Z14278 2.280 -0.241 3.725 0.4102 0.3515 0.0475 119DPPE N14279 5.080 5.060 1.914 0.0643 0.2912 0.1801 119DPPE HN114280 4.980 5.089 1.917 -0.7301 -1.9819 -1.4775 119DPPE HN214281 5.086 4.956 1.910 0.1006 0.3128 -0.6290 119DPPE HN314282 5.130 5.096 1.998 1.0739 -3.3392 1.2984 119DPPE C1214283 5.118 5.120 1.780 -0.7220 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119DPPE O2214301 5.956 5.105 2.245 -0.4084 0.8261 -0.7454 119DPPE C2214302 5.810 4.995 2.407 -0.5807 -0.3907 -0.4286 119DPPE H2R14303 5.847 4.890 2.405 3.0148 0.4144 4.3386 119DPPE H2S14304 5.701 5.005 2.422 -0.5910 -1.3884 0.2525 119DPPE C314305 5.813 5.326 2.111 0.0207 0.0322 0.8693 119DPPE HX14306 5.839 5.360 2.009 1.2876 2.4285 1.9029 119DPPE HY14307 5.914 5.317 2.158 -0.2007 -1.7870 1.0836 119DPPE O3114308 5.724 5.421 2.170 -0.4059 0.2517 -0.1008 119DPPE C3114309 5.741 5.426 2.303 0.3163 0.4309 -0.1943 119DPPE O3214310 5.807 5.348 2.370 -0.0049 0.4180 0.1106 119DPPE C3214311 5.658 5.540 2.361 -0.3380 0.0364 -0.3425 119DPPE H2X14312 5.551 5.511 2.351 -0.5870 0.9125 -0.2638 119DPPE H2Y14313 5.667 5.638 2.310 -0.9881 1.0321 1.3824 119DPPE C2314314 5.894 5.034 2.529 -0.4689 -0.3808 -0.5084 119DPPE H3R14315 5.884 5.142 2.554 1.3326 -0.6433 1.6477 119DPPE H3S14316 6.000 5.000 2.526 -0.5509 -0.5922 -1.3793 119DPPE C2414317 5.819 4.974 2.647 0.2174 0.1286 0.1975 119DPPE H4R14318 5.806 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119DPPE C31314387 5.571 5.399 3.728 -0.2120 -0.5119 0.0093 119DPPE H13X14388 5.547 5.507 3.741 -0.7994 -0.9591 4.2628 119DPPE H13Y14389 5.676 5.364 3.728 -0.7242 -2.5206 3.2473 119DPPE C31414390 5.511 5.324 3.848 -0.4986 0.0406 0.2171 119DPPE H14X14391 5.496 5.215 3.833 -1.9688 0.2910 -0.2357 119DPPE H14Y14392 5.411 5.368 3.865 -0.1140 0.5849 1.1403 119DPPE C31514393 5.585 5.352 3.979 0.0259 -0.1349 -0.0340 119DPPE H15X14394 5.562 5.454 4.016 -1.7871 -0.9543 1.2597 119DPPE H15Y14395 5.695 5.354 3.963 -0.3477 1.6746 -3.3203 119DPPE C31614396 5.555 5.249 4.087 0.6503 0.0335 0.3006 119DPPE H16X14397 5.560 5.143 4.054 -1.2040 -0.1522 0.5314 119DPPE H16Y14398 5.449 5.277 4.104 0.7269 1.5590 -1.4781 119DPPE H16Z14399 5.626 5.271 4.170 0.9639 -0.5046 0.1795 120DPPE N14400 5.752 0.353 2.602 -0.3192 -0.1434 -0.3868 120DPPE HN114401 5.813 0.437 2.599 0.4835 -0.7345 -1.1463 120DPPE HN214402 5.821 0.276 2.589 0.0336 0.0157 0.4773 120DPPE HN314403 5.677 0.358 2.531 0.3995 -1.9953 -1.3413 120DPPE C1214404 5.704 0.356 2.745 0.2330 -0.6507 -0.1871 120DPPE H12A14405 5.668 0.254 2.771 1.2248 -0.9046 0.2470 120DPPE H12B14406 5.793 0.381 2.807 0.5757 0.1484 -0.9897 120DPPE C1114407 5.591 0.457 2.766 0.7205 -0.1471 0.0128 120DPPE H11A14408 5.640 0.557 2.760 -1.1541 0.8492 0.5524 120DPPE H11B14409 5.551 0.451 2.869 1.7897 -2.5469 0.3559 120DPPE P14410 5.423 0.564 2.613 0.0679 -0.0517 0.0495 120DPPE O1314411 5.304 0.520 2.536 0.1378 0.3861 -0.3098 120DPPE O1414412 5.509 0.662 2.544 -0.1606 0.2564 0.1982 120DPPE O1114413 5.384 0.634 2.751 0.3177 -0.0782 0.1333 120DPPE O1214414 5.498 0.431 2.661 -0.1053 0.0770 0.6865 120DPPE C114415 5.269 0.588 2.824 0.2048 0.6495 0.4248 120DPPE HA14416 5.273 0.477 2.823 2.7468 0.6458 -1.6144 120DPPE HB14417 5.176 0.619 2.773 1.6690 1.3788 -1.9978 120DPPE C214418 5.283 0.633 2.970 0.1053 0.3407 0.5278 120DPPE HS14419 5.230 0.730 2.969 -4.7808 -1.9908 1.2330 120DPPE O2114420 5.424 0.629 2.996 0.1211 -0.1663 0.3908 120DPPE C2114421 5.460 0.738 3.064 -0.1748 -0.0047 0.2931 120DPPE O2214422 5.388 0.823 3.114 0.4117 0.3381 0.5785 120DPPE C2214423 5.611 0.731 3.084 -0.1910 0.3539 0.5704 120DPPE H2R14424 5.664 0.802 3.017 1.5033 1.6597 3.1427 120DPPE H2S14425 5.652 0.631 3.057 -3.2633 -0.7109 -0.6361 120DPPE C314426 5.205 0.533 3.058 -0.5656 0.3943 -0.0045 120DPPE HX14427 5.259 0.436 3.059 -0.4374 0.4554 -0.4837 120DPPE HY14428 5.104 0.519 3.013 0.1803 2.7693 -2.7047 120DPPE O3114429 5.196 0.578 3.193 -0.1477 0.7830 -0.1040 120DPPE C3114430 5.088 0.651 3.222 -0.5838 -0.1485 0.6881 120DPPE O3214431 5.014 0.696 3.136 -0.0267 -0.3198 0.1049 120DPPE C3214432 5.077 0.691 3.369 0.1273 -0.1795 0.7567 120DPPE H2X14433 5.001 0.623 3.413 1.8877 -2.6872 0.1611 120DPPE H2Y14434 5.065 0.801 3.380 -3.6036 -0.1671 -1.4544 120DPPE C2314435 5.647 0.743 3.232 0.0799 0.3865 0.5028 120DPPE H3R14436 5.583 0.683 3.299 -0.5731 1.8224 1.2266 120DPPE H3S14437 5.634 0.851 3.258 -2.3721 -0.1171 1.7121 120DPPE C2414438 5.788 0.687 3.250 -0.0894 -0.0562 0.4555 120DPPE H4R14439 5.857 0.723 3.170 -0.8621 0.2275 -0.1015 120DPPE H4S14440 5.772 0.579 3.231 -2.6136 0.0659 1.5310 120DPPE C2514441 5.859 0.699 3.385 0.3526 0.3912 0.1876 120DPPE H5R14442 5.797 0.663 3.470 -0.4648 -0.6324 -0.8094 120DPPE H5S14443 5.884 0.803 3.412 -2.3668 0.8374 1.3040 120DPPE C2614444 5.994 0.628 3.399 -0.1034 -0.4476 0.4456 120DPPE H6R14445 6.047 0.686 3.478 0.6501 1.9818 -1.6841 120DPPE H6S14446 6.041 0.661 3.304 -0.7803 0.4568 0.4113 120DPPE C2714447 5.997 0.476 3.419 -0.5111 -0.4789 0.2834 120DPPE H7R14448 5.919 0.423 3.361 1.3174 -0.4838 -2.3861 120DPPE H7S14449 5.985 0.452 3.526 -0.5512 0.8213 0.5972 120DPPE C2814450 6.128 0.410 3.376 -0.0939 0.4851 0.0382 120DPPE H8R14451 6.114 0.304 3.405 1.6172 0.7333 1.9760 120DPPE H8S14452 6.129 0.420 3.265 -1.4179 -0.7041 -0.1116 120DPPE C2914453 6.260 0.444 3.446 -0.1940 0.4774 0.2298 120DPPE H9R14454 6.236 0.449 3.554 -0.8409 0.2454 0.1022 120DPPE H9S14455 6.273 0.549 3.413 -0.5038 0.6849 0.7510 120DPPE C21014456 6.368 0.348 3.395 -0.6735 -0.0623 0.2164 120DPPE H10R14457 6.399 0.370 3.290 -1.6655 -0.3007 -0.1442 120DPPE H10S14458 6.328 0.247 3.415 -0.5594 -0.2876 -0.6469 120DPPE C21114459 6.499 0.350 3.474 -0.4520 -0.1230 -0.1454 120DPPE H11R14460 6.571 0.282 3.425 0.3960 0.6720 -0.0269 120DPPE H11S14461 6.480 0.308 3.575 -1.7342 -0.3853 -0.4725 120DPPE C21214462 6.564 0.487 3.491 0.2101 -0.4375 -0.1217 120DPPE H12R14463 6.505 0.563 3.548 2.0537 0.7856 0.2574 120DPPE H12S14464 6.572 0.521 3.386 -1.8535 -1.9801 -0.8464 120DPPE C21314465 6.710 0.481 3.537 0.2412 0.3301 -0.1073 120DPPE H13R14466 6.746 0.407 3.463 1.9279 0.0345 0.9580 120DPPE H13S14467 6.714 0.427 3.634 -0.2902 0.6803 0.1137 120DPPE C21414468 6.791 0.611 3.526 0.1083 0.3736 -0.6129 120DPPE H14R14469 6.741 0.697 3.577 -0.3598 -0.3623 0.2122 120DPPE H14S14470 6.781 0.633 3.418 -0.0780 -0.5048 -0.7843 120DPPE C21514471 6.933 0.578 3.572 -0.2044 -0.5818 -0.2932 120DPPE H15R14472 7.007 0.659 3.551 0.7746 -0.9604 1.4746 120DPPE H15S14473 6.965 0.477 3.538 -0.6926 -0.8332 -0.0117 120DPPE C21614474 6.941 0.588 3.724 -0.4649 -0.4778 -0.2855 120DPPE H16R14475 7.047 0.567 3.752 0.1341 1.4729 -0.8808 120DPPE H16S14476 6.861 0.533 3.776 0.5813 -2.3385 -0.5606 120DPPE H16T14477 6.931 0.695 3.753 0.5069 -0.6251 0.6765 120DPPE C3314478 5.198 0.657 3.455 0.7115 0.1479 0.0751 120DPPE H3X14479 5.247 0.559 3.437 2.5891 0.4141 3.0084 120DPPE H3Y14480 5.161 0.654 3.560 -0.6710 1.9640 -0.3005 120DPPE C3414481 5.303 0.768 3.448 0.5054 0.2876 -0.9726 120DPPE H4X14482 5.271 0.874 3.459 0.9413 0.2961 0.4151 120DPPE H4Y14483 5.346 0.759 3.346 0.1704 0.0175 -1.0908 120DPPE C3514484 5.420 0.742 3.543 -0.2022 0.0001 -0.1664 120DPPE H5X14485 5.503 0.808 3.508 -0.9679 -0.4561 -3.1113 120DPPE H5Y14486 5.447 0.635 3.535 1.2705 0.1177 2.1624 120DPPE C3614487 5.378 0.763 3.689 -0.0494 -0.2211 -0.0884 120DPPE H6X14488 5.472 0.745 3.746 -0.2083 1.8494 0.9210 120DPPE H6Y14489 5.303 0.686 3.716 -0.8824 0.4793 -0.3536 120DPPE C3714490 5.331 0.903 3.731 0.3497 -0.2248 0.3689 120DPPE H7X14491 5.263 0.958 3.664 -0.8427 -0.0685 1.6494 120DPPE H7Y14492 5.410 0.980 3.737 -1.9879 2.2329 2.3359 120DPPE C3814493 5.261 0.910 3.867 -0.0725 -0.0317 0.1403 120DPPE H8X14494 5.202 0.817 3.880 3.0566 -2.0695 0.8147 120DPPE H8Y14495 5.183 0.990 3.867 -0.3237 -0.2488 -1.4428 120DPPE C3914496 5.356 0.943 3.982 -0.3483 0.2783 0.2834 120DPPE H9X14497 5.375 1.053 3.982 0.0826 0.2109 -0.1260 120DPPE H9Y14498 5.451 0.887 3.966 -0.6686 -0.5658 1.2765 120DPPE C31014499 5.299 0.902 4.117 0.3974 0.1017 0.5477 120DPPE H10X14500 5.373 0.912 4.200 0.1631 -2.3787 1.1231 120DPPE H10Y14501 5.279 0.793 4.113 -1.5423 0.4161 1.0092 120DPPE C31114502 5.161 0.959 4.151 0.4287 0.5094 -0.0143 120DPPE H11X14503 5.091 0.939 4.067 -0.1925 -1.4066 0.9276 120DPPE H11Y14504 5.165 1.070 4.160 0.9862 0.6342 -1.4167 120DPPE C31214505 5.099 0.903 4.278 0.6554 0.5232 0.1024 120DPPE H12X14506 5.092 0.792 4.268 2.5826 -0.0109 3.2288 120DPPE H12Y14507 4.997 0.944 4.295 1.0414 0.8621 1.8719 120DPPE C31314508 5.171 0.926 4.411 0.0098 -0.4392 0.6277 120DPPE H13X14509 5.173 1.037 4.406 -1.6422 -0.4379 -1.2589 120DPPE H13Y14510 5.274 0.886 4.399 0.5392 1.0813 -0.1240 120DPPE C31414511 5.086 0.873 4.528 -0.6329 -0.0183 0.3556 120DPPE H14X14512 5.073 0.763 4.520 0.8184 -0.1421 -0.9769 120DPPE H14Y14513 4.984 0.917 4.537 -1.1556 -1.5407 2.6764 120DPPE C31514514 5.167 0.893 4.656 0.2908 0.1911 -0.2454 120DPPE H15X14515 5.190 1.002 4.657 1.3215 -0.0154 -0.2954 120DPPE H15Y14516 5.265 0.842 4.650 -0.1078 -0.7490 0.8167 120DPPE C31614517 5.089 0.852 4.781 0.0204 -0.5181 -0.6419 120DPPE H16X14518 4.983 0.884 4.769 0.6815 1.7038 -1.0235 120DPPE H16Y14519 5.128 0.899 4.874 -0.3699 -1.5062 0.0387 120DPPE H16Z14520 5.088 0.742 4.796 1.1403 -0.1735 3.3551 121DPPE N14521 2.288 2.681 2.286 0.0486 0.2047 -0.3850 121DPPE HN114522 2.196 2.634 2.276 0.8097 -1.0736 -1.7728 121DPPE HN214523 2.277 2.773 2.334 -1.3627 -0.3700 0.4575 121DPPE HN314524 2.330 2.691 2.191 -2.4532 3.3050 -1.3530 121DPPE C1214525 2.368 2.586 2.372 0.1343 0.0147 -0.6747 121DPPE H12A14526 2.369 2.631 2.473 2.1273 -0.3998 -0.4817 121DPPE H12B14527 2.305 2.494 2.372 -1.2631 0.9403 0.0294 121DPPE C1114528 2.512 2.569 2.324 0.3907 -0.2555 0.1812 121DPPE H11A14529 2.563 2.498 2.393 -1.9702 -1.7631 0.4810 121DPPE H11B14530 2.567 2.664 2.342 1.9843 -1.4086 1.7778 121DPPE P14531 2.665 2.472 2.159 -0.0985 -0.0742 0.1789 121DPPE O1314532 2.706 2.524 2.027 -0.1504 0.1263 0.2419 121DPPE O1414533 2.669 2.324 2.169 0.1948 -0.0634 0.2527 121DPPE O1114534 2.767 2.541 2.262 -0.3716 0.2831 0.2113 121DPPE O1214535 2.519 2.530 2.186 -0.0358 0.1503 0.0431 121DPPE C114536 2.885 2.473 2.305 -0.5966 -0.2259 0.0326 121DPPE HA14537 2.975 2.538 2.307 0.6471 -1.8562 -0.5519 121DPPE HB14538 2.912 2.382 2.246 -0.9000 0.6940 -1.5866 121DPPE C214539 2.871 2.426 2.451 -0.2592 0.2231 0.2111 121DPPE HS14540 2.965 2.374 2.480 0.7647 2.0561 0.3527 121DPPE O2114541 2.758 2.339 2.464 -0.0734 0.1147 1.1696 121DPPE C2114542 2.780 2.209 2.446 0.1198 0.2852 0.0631 121DPPE O2214543 2.886 2.160 2.409 0.1382 0.4398 -0.0900 121DPPE C2214544 2.653 2.127 2.465 0.5600 -0.3017 0.5006 121DPPE H2R14545 2.672 2.017 2.465 0.3303 -0.3582 -0.8590 121DPPE H2S14546 2.586 2.153 2.381 -1.2512 -3.0322 0.9642 121DPPE C314547 2.871 2.541 2.553 -0.0133 0.4508 -0.0435 121DPPE HX14548 2.848 2.635 2.498 -0.3190 -0.4454 -1.5109 121DPPE HY14549 2.972 2.563 2.591 0.1804 0.1470 -0.3789 121DPPE O3114550 2.795 2.509 2.670 0.3438 -0.1453 0.0262 121DPPE C3114551 2.688 2.585 2.693 0.5824 0.2850 -0.2613 121DPPE O3214552 2.660 2.687 2.632 -0.4922 -0.0127 -0.2770 121DPPE C3214553 2.599 2.510 2.790 0.4308 0.5399 -0.2027 121DPPE H2X14554 2.605 2.401 2.768 -0.4320 0.4693 -0.1538 121DPPE H2Y14555 2.492 2.540 2.776 0.5317 1.3912 0.7361 121DPPE C2314556 2.596 2.149 2.605 -0.0578 -0.0759 0.2150 121DPPE H3R14557 2.530 2.238 2.604 -0.0558 -0.0711 -1.6611 121DPPE H3S14558 2.675 2.170 2.680 -2.3527 1.9461 2.2449 121DPPE C2414559 2.513 2.035 2.665 -0.1214 -0.0239 0.2264 121DPPE H4R14560 2.577 1.954 2.706 -0.5098 -1.4978 -1.9437 121DPPE H4S14561 2.453 1.979 2.590 1.2409 -3.2392 1.3739 121DPPE C2514562 2.415 2.093 2.768 -0.0245 -0.4371 0.5538 121DPPE H5R14563 2.329 2.024 2.784 -1.3977 1.8108 4.1916 121DPPE H5S14564 2.365 2.180 2.721 1.6384 0.9897 1.3170 121DPPE C2614565 2.488 2.126 2.898 0.2392 -0.2202 0.3528 121DPPE H6R14566 2.549 2.217 2.884 -0.3082 0.0127 -0.5721 121DPPE H6S14567 2.554 2.041 2.924 0.4757 -0.8304 -2.0850 121DPPE C2714568 2.392 2.170 3.009 0.3579 -0.2678 0.4740 121DPPE H7R14569 2.302 2.106 3.006 -1.5642 2.2646 0.9389 121DPPE H7S14570 2.361 2.275 2.987 1.7516 -0.1611 -1.1562 121DPPE C2814571 2.455 2.174 3.149 -0.3018 -0.2642 0.7760 121DPPE H8R14572 2.519 2.265 3.145 -0.7062 0.0406 1.2360 121DPPE H8S14573 2.521 2.087 3.170 2.2032 0.6576 -2.4337 121DPPE C2914574 2.357 2.204 3.262 -0.8852 -0.5200 0.3441 121DPPE H9R14575 2.298 2.112 3.277 -1.8739 -0.2775 -1.8004 121DPPE H9S14576 2.295 2.281 3.212 2.2887 0.2941 -2.7424 121DPPE C21014577 2.411 2.261 3.394 0.2912 0.0102 -0.3467 121DPPE H10R14578 2.329 2.266 3.469 -0.5803 -0.5313 -1.2376 121DPPE H10S14579 2.438 2.364 3.361 0.4050 -0.2379 -1.0384 121DPPE C21114580 2.540 2.202 3.449 -0.2875 -0.8848 0.0830 121DPPE H11R14581 2.572 2.270 3.532 0.0767 -0.0453 -0.7320 121DPPE H11S14582 2.617 2.216 3.370 0.9511 1.9269 1.5931 121DPPE C21214583 2.522 2.061 3.505 -0.2181 -0.8044 0.3118 121DPPE H12R14584 2.624 2.021 3.520 0.2927 0.5302 0.5582 121DPPE H12S14585 2.464 2.008 3.426 -3.4531 2.1262 0.4752 121DPPE C21314586 2.449 2.058 3.640 -0.5748 0.3642 0.1554 121DPPE H13R14587 2.347 2.102 3.627 -0.2520 0.6744 -1.6844 121DPPE H13S14588 2.498 2.119 3.718 0.2484 1.8945 -1.4850 121DPPE C21414589 2.429 1.917 3.694 -0.1664 -0.0511 -0.7545 121DPPE H14R14590 2.532 1.878 3.707 -0.7682 -1.3863 0.4037 121DPPE H14S14591 2.386 1.865 3.606 0.1572 0.6497 -1.3335 121DPPE C21514592 2.346 1.897 3.821 0.8210 -0.3278 -0.1412 121DPPE H15R14593 2.247 1.933 3.786 0.7565 0.6310 0.9724 121DPPE H15S14594 2.364 1.975 3.897 0.5088 0.6429 -1.0387 121DPPE C21614595 2.343 1.756 3.881 -0.0864 -0.2729 -0.0406 121DPPE H16R14596 2.438 1.745 3.937 -0.7543 -1.6775 0.8459 121DPPE H16S14597 2.329 1.677 3.804 -3.3314 -0.3720 0.5263 121DPPE H16T14598 2.258 1.742 3.950 1.5429 -2.7395 1.6297 121DPPE C3314599 2.659 2.542 2.927 0.3173 -0.0880 -0.0025 121DPPE H3X14600 2.575 2.544 3.000 1.3471 -1.7407 1.3248 121DPPE H3Y14601 2.722 2.633 2.923 -0.9223 0.9097 1.6069 121DPPE C3414602 2.749 2.430 2.979 0.3132 0.0655 0.3378 121DPPE H4X14603 2.846 2.411 2.928 -0.3373 -2.5331 -0.0492 121DPPE H4Y14604 2.693 2.334 2.985 2.8046 -1.4583 0.9433 121DPPE C3514605 2.799 2.456 3.122 0.2513 -0.4045 0.4449 121DPPE H5X14606 2.719 2.483 3.195 1.2261 -1.0531 1.7992 121DPPE H5Y14607 2.873 2.538 3.119 0.3148 -0.4514 -2.6726 121DPPE C3614608 2.872 2.330 3.171 -0.0249 -0.5601 0.4625 121DPPE H6X14609 2.943 2.299 3.091 -0.5654 0.5596 -0.4949 121DPPE H6Y14610 2.792 2.253 3.179 -0.7298 0.3782 5.1942 121DPPE C3714611 2.941 2.339 3.307 -0.3079 -0.4156 0.5980 121DPPE H7X14612 3.043 2.379 3.288 -0.5000 0.2526 0.9478 121DPPE H7Y14613 2.953 2.241 3.357 1.0546 0.0664 1.2646 121DPPE C3814614 2.874 2.421 3.417 -1.2246 -0.5658 0.1627 121DPPE H8X14615 2.769 2.386 3.429 -1.9595 1.3434 -0.2614 121DPPE H8Y14616 2.879 2.528 3.385 -1.3173 -0.3373 0.8847 121DPPE C3914617 2.937 2.420 3.557 0.3500 0.3964 -0.5153 121DPPE H9X14618 3.043 2.453 3.545 0.4705 1.4496 2.6984 121DPPE H9Y14619 2.925 2.325 3.613 1.0859 0.9196 0.5652 121DPPE C31014620 2.877 2.518 3.657 -0.1060 -0.4453 0.0481 121DPPE H10X14621 2.889 2.623 3.622 -0.2072 0.3001 2.1427 121DPPE H10Y14622 2.925 2.505 3.756 0.6299 -2.3110 -0.5009 121DPPE C31114623 2.728 2.494 3.681 0.0395 -0.1653 1.2704 121DPPE H11X14624 2.711 2.397 3.733 1.5409 -0.0639 2.0038 121DPPE H11Y14625 2.679 2.486 3.582 -0.3293 2.8686 1.1265 121DPPE C31214626 2.662 2.593 3.777 -0.9422 0.4080 0.0206 121DPPE H12X14627 2.651 2.698 3.742 1.5277 0.3905 -1.0116 121DPPE H12Y14628 2.723 2.612 3.867 2.1116 -0.5454 -1.7202 121DPPE C31314629 2.531 2.542 3.839 -0.3042 -0.6783 0.4944 121DPPE H13X14630 2.561 2.452 3.897 1.8629 -1.4631 -1.6663 121DPPE H13Y14631 2.462 2.519 3.756 -0.8265 4.0691 -0.7105 121DPPE C31414632 2.461 2.650 3.922 -0.3503 0.1213 -0.5595 121DPPE H14X14633 2.441 2.742 3.863 0.0751 1.3535 1.1568 121DPPE H14Y14634 2.525 2.676 4.009 -0.4629 0.2863 -0.5248 121DPPE C31514635 2.329 2.593 3.975 0.0511 -0.2961 -0.0019 121DPPE H15X14636 2.354 2.501 4.032 -0.8700 -2.4702 -2.8617 121DPPE H15Y14637 2.253 2.561 3.901 0.0809 -1.3000 0.3755 121DPPE C31614638 2.257 2.690 4.067 0.0578 0.2408 -0.5576 121DPPE H16X14639 2.213 2.776 4.011 -1.0162 -1.1068 -1.8716 121DPPE H16Y14640 2.326 2.728 4.146 1.9198 0.8074 -2.3679 121DPPE H16Z14641 2.170 2.646 4.120 1.2092 0.8290 1.9875 122DPPE N14642 2.092 0.342 2.097 0.3617 0.5549 -0.1777 122DPPE HN114643 2.184 0.342 2.146 0.6488 0.8462 -0.7135 122DPPE HN214644 2.024 0.391 2.158 1.4841 -0.6754 2.2090 122DPPE HN314645 2.111 0.396 2.011 0.8626 -0.7603 -0.9256 122DPPE C1214646 2.038 0.205 2.062 0.1818 0.5191 0.2342 122DPPE H12A14647 1.960 0.220 1.984 2.1214 2.5886 -1.4480 122DPPE H12B14648 2.117 0.143 2.016 0.8857 0.8186 1.0156 122DPPE C1114649 1.992 0.139 2.192 -0.0780 0.9369 0.3591 122DPPE H11A14650 2.065 0.141 2.276 0.6935 1.7762 -0.3117 122DPPE H11B14651 1.969 0.031 2.180 -2.8479 1.4978 -0.0099 122DPPE P14652 1.755 0.124 2.300 -0.2972 0.2595 0.1027 122DPPE O1314653 1.677 0.064 2.190 0.5136 -0.3976 -0.1235 122DPPE O1414654 1.678 0.213 2.391 -0.6863 0.1188 -0.0875 122DPPE O1114655 1.818 0.001 2.381 -0.1550 0.3736 0.1700 122DPPE O1214656 1.874 0.208 2.235 -0.5192 0.4542 -0.0541 122DPPE C114657 1.729 -0.096 2.437 0.2704 -0.1185 0.0071 122DPPE HA14658 1.670 -0.135 2.351 0.6224 1.0835 -0.8158 122DPPE HB14659 1.661 -0.046 2.510 -0.3235 0.0852 -0.6747 122DPPE C214660 1.804 -0.199 2.523 -0.0585 -0.1172 0.3000 122DPPE HS14661 1.728 -0.273 2.554 -0.5759 -0.3478 -1.3943 122DPPE O2114662 1.850 -0.117 2.631 -0.4080 0.2518 0.1708 122DPPE C2114663 1.854 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H15R14714 2.546 -0.780 3.825 1.6919 -1.6746 1.3993 122DPPE H15S14715 2.450 -0.892 3.916 2.4551 1.3020 -0.2018 122DPPE C21614716 2.337 -0.736 3.827 -0.2519 0.0983 0.2718 122DPPE H16R14717 2.333 -0.679 3.922 -2.3357 -0.6535 0.6839 122DPPE H16S14718 2.238 -0.787 3.830 -0.7232 1.0290 2.2093 122DPPE H16T14719 2.327 -0.666 3.741 0.7770 -0.2589 -0.1467 122DPPE C3314720 1.930 -0.616 2.754 0.1181 0.0485 -0.0372 122DPPE H3X14721 1.863 -0.678 2.691 0.5777 -0.0143 -0.4669 122DPPE H3Y14722 1.853 -0.543 2.784 -0.2912 -0.2378 -0.3819 122DPPE C3414723 1.989 -0.707 2.863 -0.8368 -0.2120 0.2704 122DPPE H4X14724 1.906 -0.762 2.912 -0.7179 -0.1347 0.5612 122DPPE H4Y14725 2.047 -0.650 2.939 0.9299 -1.4726 -0.0657 122DPPE C3514726 2.087 -0.812 2.812 -0.4271 0.1871 0.2305 122DPPE H5X14727 2.166 -0.762 2.751 0.5261 -0.0656 1.2209 122DPPE H5Y14728 2.031 -0.884 2.749 -0.0083 -0.0589 0.1352 122DPPE C3614729 2.157 -0.887 2.926 0.6906 0.2348 -0.4112 122DPPE H6X14730 2.087 -0.926 3.003 2.3993 -1.3397 0.4291 122DPPE H6Y14731 2.214 -0.812 2.985 1.8293 -3.0964 3.1208 122DPPE C3714732 2.237 -1.005 2.869 -0.4177 -0.5446 -0.3687 122DPPE H7X14733 2.301 -0.968 2.787 -1.1295 -0.5386 -0.9371 122DPPE H7Y14734 2.163 -1.076 2.825 -0.3337 0.9991 -3.2687 122DPPE C3814735 2.313 -1.080 2.979 -0.4064 -0.2194 -0.1534 122DPPE H8X14736 2.386 -1.015 3.031 -2.6982 1.2121 1.4809 122DPPE H8Y14737 2.372 -1.159 2.928 1.4351 0.1229 1.3495 122DPPE C3914738 2.220 -1.136 3.087 0.0252 -0.5563 0.0406 122DPPE H9X14739 2.137 -1.192 3.039 -0.8103 1.1696 -0.5809 122DPPE H9Y14740 2.180 -1.056 3.152 0.2543 -0.3319 -0.0919 122DPPE C31014741 2.297 -1.221 3.189 0.3223 -0.1568 0.1512 122DPPE H10X14742 2.225 -1.236 3.272 -0.2649 0.6502 -0.1933 122DPPE H10Y14743 2.377 -1.163 3.240 1.1667 -0.1835 -1.0754 122DPPE C31114744 2.356 -1.355 3.144 0.0464 -0.2544 0.0732 122DPPE H11X14745 2.435 -1.325 3.072 0.9521 -2.3571 0.1177 122DPPE H11Y14746 2.283 -1.415 3.087 0.7699 -1.8235 0.7385 122DPPE C31214747 2.387 -1.449 3.261 0.0447 -0.4043 -0.0471 122DPPE H12X14748 2.371 -1.551 3.219 -0.0233 -1.3365 2.1016 122DPPE H12Y14749 2.308 -1.428 3.336 0.1113 -1.4038 0.3219 122DPPE C31314750 2.529 -1.425 3.313 -0.3288 0.4644 0.5933 122DPPE H13X14751 2.516 -1.325 3.360 -1.2326 -0.9636 3.6439 122DPPE H13Y14752 2.597 -1.434 3.226 0.4927 -1.5048 1.3725 122DPPE C31414753 2.584 -1.520 3.420 -0.0026 0.0427 0.0570 122DPPE H14X14754 2.648 -1.477 3.500 -2.1082 0.2053 1.7515 122DPPE H14Y14755 2.654 -1.588 3.368 1.3002 2.5568 -1.7180 122DPPE C31514756 2.484 -1.616 3.485 0.0232 0.0685 0.1351 122DPPE H15X14757 2.424 -1.664 3.406 -1.1832 1.5178 0.1262 122DPPE H15Y14758 2.421 -1.560 3.558 0.3763 -0.2278 0.6723 122DPPE C31614759 2.551 -1.726 3.567 0.1430 -0.1960 -0.3162 122DPPE H16X14760 2.466 -1.767 3.625 -1.1906 -1.5473 -3.0286 122DPPE H16Y14761 2.576 -1.819 3.511 -2.3346 -2.3350 1.8439 122DPPE H16Z14762 2.626 -1.684 3.637 1.3955 -0.5988 -1.3732 123DPPE N14763 0.192 1.189 2.307 -0.2303 -0.3891 0.7322 123DPPE HN114764 0.143 1.120 2.367 -0.7578 -0.9600 -0.3511 123DPPE HN214765 0.232 1.141 2.224 -1.1719 -0.3861 0.2722 123DPPE HN314766 0.262 1.247 2.358 -1.8566 1.2875 1.1530 123DPPE C1214767 0.073 1.263 2.251 0.5862 0.2869 -0.1453 123DPPE H12A14768 0.008 1.185 2.204 0.7769 -1.6072 2.5125 123DPPE H12B14769 0.107 1.344 2.183 1.6810 0.0044 0.0407 123DPPE C1114770 -0.005 1.334 2.362 0.3637 -0.2068 0.0184 123DPPE H11A14771 -0.037 1.269 2.446 -0.3626 3.1538 2.5127 123DPPE H11B14772 -0.093 1.371 2.305 0.6340 1.2344 0.4967 123DPPE P14773 -0.010 1.535 2.523 -0.2278 0.1544 -0.2782 123DPPE O1314774 -0.129 1.593 2.457 -0.5504 0.1072 0.2586 123DPPE O1414775 0.090 1.634 2.570 -0.6982 0.5405 -0.0856 123DPPE O1114776 -0.036 1.427 2.639 0.5975 0.3486 0.0959 123DPPE O1214777 0.068 1.444 2.416 -0.1690 0.3810 -0.4319 123DPPE C114778 -0.171 1.387 2.664 0.7253 0.0201 0.2608 123DPPE HA14779 -0.175 1.285 2.708 -0.8316 0.3409 0.9274 123DPPE HB14780 -0.226 1.364 2.571 -0.7923 -2.1672 1.5875 123DPPE C214781 -0.249 1.488 2.751 0.1866 -0.2621 0.1084 123DPPE 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126DPPE H14R15195 2.674 4.725 2.506 -0.2652 0.6072 -1.1664 126DPPE H14S15196 2.786 4.838 2.588 0.1967 -1.1483 -0.9127 126DPPE C21515197 2.573 4.884 2.612 0.4266 -0.0157 0.1885 126DPPE H15R15198 2.476 4.836 2.639 -1.4735 2.5578 -1.5273 126DPPE H15S15199 2.564 4.940 2.517 0.7812 2.0554 1.3200 126DPPE C21615200 2.595 4.986 2.724 0.4499 -0.0172 0.1840 126DPPE H16R15201 2.695 5.027 2.702 -0.2138 0.2140 -2.8061 126DPPE H16S15202 2.607 4.925 2.816 0.0043 1.6252 1.3828 126DPPE H16T15203 2.508 5.055 2.734 -1.1509 -1.4921 -2.4129 126DPPE C3315204 1.835 3.693 2.872 -0.1811 0.1836 0.2732 126DPPE H3X15205 1.944 3.703 2.889 -0.0203 0.6632 -0.9272 126DPPE H3Y15206 1.820 3.583 2.862 2.0303 -0.4761 2.8857 126DPPE C3415207 1.751 3.760 2.981 -0.4296 -0.1864 0.3111 126DPPE H4X15208 1.643 3.752 2.956 -0.8159 3.1456 0.5054 126DPPE H4Y15209 1.766 3.870 2.976 -1.8263 0.0064 -0.0288 126DPPE C3515210 1.778 3.704 3.121 0.8192 0.2967 0.2755 126DPPE H5X15211 1.884 3.718 3.153 0.9024 -1.5645 0.9403 126DPPE H5Y15212 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0.2138 127DPPE N15247 0.115 0.265 2.257 -0.4032 0.0078 0.2055 127DPPE HN115248 0.048 0.187 2.244 1.5496 -1.2721 -3.7442 127DPPE HN215249 0.164 0.260 2.349 1.0107 -3.3366 -0.5864 127DPPE HN315250 0.060 0.353 2.248 0.8540 0.8376 0.2906 127DPPE C1215251 0.206 0.251 2.138 -0.3073 -0.4320 0.3317 127DPPE H12A15252 0.299 0.304 2.170 -0.7157 -0.7353 2.1269 127DPPE H12B15253 0.155 0.303 2.055 0.6410 2.6089 1.5206 127DPPE C1115254 0.224 0.104 2.097 0.2168 -0.2288 -0.1921 127DPPE H11A15255 0.282 0.102 2.003 0.9522 0.2081 0.2403 127DPPE H11B15256 0.134 0.042 2.080 2.0564 -3.3772 0.7151 127DPPE P15257 0.413 -0.050 2.187 0.1885 0.3016 0.0202 127DPPE O1315258 0.540 0.012 2.232 -0.0906 0.4769 0.5848 127DPPE O1415259 0.406 -0.104 2.050 -0.7226 0.1799 0.1117 127DPPE O1115260 0.388 -0.162 2.298 -0.2261 0.5770 0.2088 127DPPE O1215261 0.286 0.045 2.211 0.1693 0.2603 0.0916 127DPPE C115262 0.275 -0.248 2.288 -0.0342 0.3268 0.1821 127DPPE HA15263 0.308 -0.353 2.303 0.7435 0.7317 1.4561 127DPPE HB15264 0.228 -0.236 2.188 -1.3138 -0.6234 0.6337 127DPPE C215265 0.173 -0.226 2.401 -0.4478 -0.0285 -0.1193 127DPPE HS15266 0.111 -0.140 2.365 1.2923 0.9388 -0.9005 127DPPE O2115267 0.239 -0.195 2.523 -0.3251 -0.3574 -0.1007 127DPPE C2115268 0.175 -0.113 2.607 0.4482 0.1937 -0.0282 127DPPE O2215269 0.075 -0.047 2.583 0.3061 -0.0871 -0.2151 127DPPE C2215270 0.265 -0.104 2.729 -0.6028 -0.1378 0.7936 127DPPE H2R15271 0.222 -0.030 2.799 0.3444 0.0552 1.1897 127DPPE H2S15272 0.364 -0.061 2.703 -0.9262 0.4513 0.5091 127DPPE C315273 0.065 -0.335 2.419 -0.0694 -0.4678 -0.4962 127DPPE HX15274 0.024 -0.371 2.322 0.7554 -1.2711 -0.5696 127DPPE HY15275 -0.017 -0.277 2.466 -1.2911 1.6804 -4.7612 127DPPE O3115276 0.093 -0.444 2.507 -0.3149 -0.2292 -0.1212 127DPPE C3115277 0.125 -0.559 2.448 -0.6717 -0.1910 -0.3971 127DPPE O3215278 0.159 -0.563 2.331 -0.1869 -0.0543 -0.2621 127DPPE C3215279 0.130 -0.667 2.555 0.2823 -0.2283 -0.4668 127DPPE H2X15280 0.220 -0.729 2.539 1.1160 1.4661 -2.8605 127DPPE H2Y15281 0.041 -0.733 2.545 0.5366 -0.5961 -0.3139 127DPPE C2315282 0.304 -0.236 2.796 0.3450 -0.0650 0.4072 127DPPE H3R15283 0.415 -0.237 2.807 0.3350 3.2020 1.9950 127DPPE H3S15284 0.260 -0.323 2.742 -1.1725 -0.1232 1.6572 127DPPE C2415285 0.253 -0.237 2.940 -0.0984 0.3889 0.2576 127DPPE H4R15286 0.259 -0.339 2.985 1.6779 1.1215 1.8072 127DPPE H4S15287 0.150 -0.201 2.961 0.6615 2.4587 0.6741 127DPPE C2515288 0.340 -0.149 3.029 0.0615 0.0194 0.4705 127DPPE H5R15289 0.331 -0.045 2.991 0.5403 -0.4192 -0.8841 127DPPE H5S15290 0.444 -0.182 3.007 0.6172 1.9956 -0.0915 127DPPE C2615291 0.313 -0.163 3.179 -0.0647 0.3383 0.4778 127DPPE H6R15292 0.313 -0.272 3.199 1.7790 0.3808 0.8237 127DPPE H6S15293 0.210 -0.134 3.211 -0.0391 -0.3546 1.1950 127DPPE C2715294 0.419 -0.111 3.276 0.4226 0.0514 0.0980 127DPPE H7R15295 0.411 -0.001 3.263 -0.1146 -0.0889 -0.8666 127DPPE H7S15296 0.525 -0.126 3.245 0.3784 1.9835 -1.1795 127DPPE C2815297 0.399 -0.167 3.417 0.7038 -0.7916 -0.1902 127DPPE H8R15298 0.388 -0.277 3.402 -1.1448 -0.4731 -1.6200 127DPPE H8S15299 0.303 -0.137 3.464 1.8566 0.2695 1.5753 127DPPE C2915300 0.513 -0.154 3.518 -0.1003 -0.5458 0.7011 127DPPE H9R15301 0.611 -0.198 3.490 0.9221 0.4138 2.5758 127DPPE H9S15302 0.475 -0.201 3.611 0.6964 -0.8115 0.9004 127DPPE C21015303 0.556 -0.012 3.556 0.0537 -0.3966 -0.0136 127DPPE H10R15304 0.466 0.043 3.592 0.2038 0.0555 -0.3187 127DPPE H10S15305 0.601 0.022 3.460 -2.0144 -2.3222 -1.7891 127DPPE C21115306 0.660 -0.010 3.668 -0.2966 -0.7151 0.3201 127DPPE H11R15307 0.757 -0.042 3.625 0.4003 2.1691 -0.4944 127DPPE H11S15308 0.640 -0.096 3.736 -0.0035 -0.9119 0.1574 127DPPE C21215309 0.664 0.119 3.750 -0.5526 -0.2799 -0.3372 127DPPE H12R15310 0.562 0.157 3.773 -0.6682 -0.6456 -0.2435 127DPPE H12S15311 0.712 0.206 3.700 -0.0889 -0.8929 -0.9701 127DPPE C21315312 0.738 0.103 3.883 -0.3081 -0.4611 -0.4934 127DPPE H13R15313 0.825 0.038 3.860 0.9207 1.5065 -1.7094 127DPPE H13S15314 0.665 0.048 3.946 -0.8595 -3.1751 -3.3221 127DPPE C21415315 0.769 0.238 3.949 -0.1938 -0.6623 -0.1279 127DPPE H14R15316 0.673 0.293 3.961 -0.4410 -0.2374 -3.2486 127DPPE H14S15317 0.822 0.308 3.880 0.1344 -1.3855 -0.6140 127DPPE C21515318 0.844 0.228 4.082 -0.2356 0.2881 -0.0262 127DPPE H15R15319 0.879 0.327 4.119 2.4353 -0.1903 -1.0406 127DPPE H15S15320 0.935 0.165 4.068 -1.6691 -2.2070 1.2655 127DPPE C21615321 0.767 0.151 4.189 0.2628 -0.3991 -0.1595 127DPPE H16R15322 0.811 0.162 4.290 -0.3479 -0.6679 0.1372 127DPPE H16S15323 0.762 0.047 4.150 -0.5788 0.3861 -2.3013 127DPPE H16T15324 0.665 0.195 4.192 1.0727 1.7629 -1.5331 127DPPE C3315325 0.122 -0.614 2.699 -0.6786 -0.2790 -0.4928 127DPPE H3X15326 0.033 -0.550 2.714 0.1024 0.3440 1.8085 127DPPE H3Y15327 0.198 -0.537 2.724 0.0107 0.3134 -3.9450 127DPPE C3415328 0.123 -0.734 2.793 0.4559 -0.0550 -0.2067 127DPPE H4X15329 0.196 -0.806 2.748 -0.2821 -1.2071 0.3821 127DPPE H4Y15330 0.029 -0.793 2.792 0.7991 -0.6270 0.2254 127DPPE C3515331 0.173 -0.709 2.936 0.1807 -0.1665 -0.0914 127DPPE H5X15332 0.253 -0.632 2.933 0.8335 -0.8284 -0.0614 127DPPE H5Y15333 0.221 -0.799 2.979 0.3014 -0.2099 -0.3161 127DPPE C3615334 0.064 -0.660 3.031 -0.1123 -0.6709 -0.1583 127DPPE H6X15335 -0.007 -0.744 3.045 0.6292 -1.5571 -1.5103 127DPPE H6Y15336 0.014 -0.566 2.998 1.9869 0.9025 0.8592 127DPPE C3715337 0.129 -0.626 3.166 -0.5991 0.4023 -0.1798 127DPPE H7X15338 0.187 -0.533 3.147 -1.9511 1.1592 -0.7065 127DPPE H7Y15339 0.183 -0.719 3.194 -1.5954 -0.0434 0.2920 127DPPE C3815340 0.030 -0.587 3.275 -0.3566 -0.2535 0.2785 127DPPE H8X15341 -0.040 -0.674 3.276 1.3875 -1.7264 0.7631 127DPPE H8Y15342 -0.021 -0.494 3.242 0.3824 -0.3679 -1.2805 127DPPE C3915343 0.098 -0.578 3.411 0.3279 -0.6133 -0.0339 127DPPE H9X15344 0.164 -0.488 3.418 1.1115 -1.2419 0.8660 127DPPE H9Y15345 0.158 -0.668 3.434 2.5615 0.4896 -1.2075 127DPPE C31015346 -0.000 -0.562 3.527 0.0025 0.2982 -0.4208 127DPPE H10X15347 -0.079 -0.639 3.512 -1.8380 2.2030 -1.0244 127DPPE H10Y15348 -0.043 -0.460 3.528 -2.3297 -0.5965 -1.2879 127DPPE C31115349 0.060 -0.595 3.664 0.4275 0.6041 -0.5311 127DPPE H11X15350 0.160 -0.550 3.679 -0.1457 1.6900 0.2048 127DPPE H11Y15351 0.059 -0.705 3.678 -0.5019 0.7754 1.0681 127DPPE C31215352 -0.031 -0.532 3.770 0.3326 -0.3341 -0.0406 127DPPE H12X15353 -0.135 -0.553 3.740 0.4757 -0.4036 -0.4991 127DPPE H12Y15354 -0.024 -0.421 3.776 -0.6338 -0.3240 1.2414 127DPPE C31315355 0.001 -0.576 3.913 0.5127 0.6658 0.2385 127DPPE H13X15356 0.110 -0.560 3.931 0.6343 1.6812 -1.2131 127DPPE H13Y15357 -0.028 -0.682 3.896 2.3020 0.0969 0.4760 127DPPE C31415358 -0.079 -0.514 4.027 0.2508 0.4451 0.1753 127DPPE H14X15359 -0.175 -0.488 3.978 -0.1402 1.7324 1.5339 127DPPE H14Y15360 -0.040 -0.411 4.044 1.1929 0.0356 0.5787 127DPPE C31515361 -0.097 -0.595 4.156 -0.4305 0.3275 0.0124 127DPPE H15X15362 0.004 -0.596 4.203 -1.2133 1.1466 1.8377 127DPPE H15Y15363 -0.131 -0.700 4.148 -0.7251 0.3293 1.0623 127DPPE C31615364 -0.185 -0.517 4.253 -0.6200 0.2357 -0.0859 127DPPE H16X15365 -0.292 -0.535 4.231 -0.3470 -1.3518 -0.1915 127DPPE H16Y15366 -0.158 -0.410 4.267 -1.2221 0.9146 -3.2037 127DPPE H16Z15367 -0.161 -0.542 4.358 -0.4932 0.0494 -0.1589 128DPPE N15368 3.457 1.739 2.302 0.1035 -0.3180 -0.7811 128DPPE HN115369 3.489 1.805 2.228 0.0081 -2.7164 -3.1156 128DPPE HN215370 3.362 1.708 2.274 -0.7733 2.2407 -0.8689 128DPPE HN315371 3.442 1.785 2.394 1.3455 1.5144 -1.4389 128DPPE C1215372 3.555 1.626 2.325 0.5227 0.0421 -0.7666 128DPPE H12A15373 3.588 1.587 2.227 1.3038 -1.4829 0.0629 128DPPE H12B15374 3.497 1.539 2.365 0.3376 1.0952 1.4383 128DPPE C1115375 3.678 1.658 2.409 0.4723 -0.3873 -0.5223 128DPPE H11A15376 3.754 1.578 2.418 0.7874 -0.2332 -1.6194 128DPPE H11B15377 3.635 1.678 2.510 0.0522 0.6751 -0.8943 128DPPE P15378 3.883 1.771 2.299 -0.4316 -0.5683 -0.0757 128DPPE O1315379 3.919 1.915 2.293 -0.7696 -0.4560 0.5095 128DPPE O1415380 3.884 1.689 2.176 0.2111 -0.0042 -0.4530 128DPPE O1115381 3.973 1.691 2.405 0.1496 0.1731 0.0025 128DPPE O1215382 3.734 1.779 2.357 -0.1792 0.3533 0.4680 128DPPE C115383 4.056 1.768 2.493 0.3743 -0.2851 0.1916 128DPPE HA15384 4.076 1.874 2.469 0.7320 0.5051 3.5982 128DPPE HB15385 4.153 1.713 2.494 0.0834 -0.8202 -0.0835 128DPPE C215386 4.000 1.769 2.636 0.0282 0.1531 0.0532 128DPPE HS15387 4.083 1.787 2.708 -1.0579 -0.8215 1.6056 128DPPE O2115388 3.934 1.648 2.672 0.1480 -0.0451 -0.3903 128DPPE C2115389 4.018 1.548 2.698 0.1053 -0.2010 -0.8359 128DPPE O2215390 4.139 1.551 2.685 0.2027 -0.2404 -0.0085 128DPPE C2215391 3.925 1.434 2.738 0.2264 -0.1533 -0.4082 128DPPE H2R15392 3.911 1.373 2.646 -1.0893 -0.3912 -0.0609 128DPPE H2S15393 3.821 1.454 2.770 0.7513 0.7027 0.8401 128DPPE C315394 3.916 1.895 2.668 -0.1496 -0.0139 0.2450 128DPPE HX15395 3.865 1.890 2.569 3.5061 -1.0484 -1.7926 128DPPE HY15396 3.960 1.996 2.665 -0.4770 0.1415 -2.7593 128DPPE O3115397 3.828 1.873 2.778 -0.2170 -0.0548 0.1829 128DPPE C3115398 3.706 1.925 2.760 -0.3013 -0.2106 0.2987 128DPPE O3215399 3.665 1.957 2.650 0.0597 0.5458 0.3790 128DPPE C3215400 3.639 1.937 2.896 -0.0777 -0.0205 0.3924 128DPPE H2X15401 3.690 2.008 2.965 0.1444 0.6764 -0.4657 128DPPE H2Y15402 3.643 1.839 2.946 0.5206 -0.9990 -1.4654 128DPPE C2315403 4.007 1.355 2.840 0.0056 -0.2260 -0.2880 128DPPE H3R15404 4.028 1.424 2.925 1.5284 -2.0520 0.9030 128DPPE H3S15405 4.103 1.311 2.808 -0.4211 -1.1914 -0.2716 128DPPE C2415406 3.937 1.236 2.905 0.3310 -0.1282 0.2494 128DPPE H4R15407 3.892 1.170 2.827 -2.0682 1.5752 0.0750 128DPPE H4S15408 3.869 1.287 2.976 -0.1534 1.3471 -1.2166 128DPPE C2515409 4.026 1.157 3.002 0.0743 -0.7814 -0.0415 128DPPE H5R15410 4.088 1.239 3.043 0.7795 -0.4105 -1.7439 128DPPE H5S15411 4.103 1.110 2.938 0.0067 -0.3670 -0.4331 128DPPE C2615412 3.955 1.070 3.106 0.3632 -0.4039 0.4742 128DPPE H6R15413 3.869 1.123 3.150 0.5999 0.7758 -0.4251 128DPPE H6S15414 4.035 1.037 3.175 1.3558 0.1264 -0.3822 128DPPE C2715415 3.898 0.941 3.045 -0.3429 -0.3428 0.9953 128DPPE H7R15416 3.973 0.902 2.973 -1.0918 1.3278 -0.7648 128DPPE H7S15417 3.818 0.963 2.972 2.4926 0.5711 -2.1032 128DPPE C2815418 3.851 0.845 3.154 -0.5992 -0.4826 0.7642 128DPPE H8R15419 3.775 0.905 3.208 -1.8902 -0.3920 -1.0740 128DPPE H8S15420 3.935 0.822 3.224 -1.1778 0.1008 1.6843 128DPPE C2915421 3.785 0.716 3.108 0.8132 -0.8651 -0.2508 128DPPE H9R15422 3.862 0.659 3.051 0.9472 -0.0955 -0.8538 128DPPE H9S15423 3.690 0.732 3.052 0.4104 -2.4404 -0.0745 128DPPE C21015424 3.737 0.640 3.232 0.0943 -0.1646 -0.0979 128DPPE H10R15425 3.694 0.708 3.310 1.2399 0.0208 0.3852 128DPPE H10S15426 3.832 0.604 3.276 1.4218 1.8239 -1.1704 128DPPE C21115427 3.641 0.522 3.219 -0.3880 0.2154 -0.0631 128DPPE H11R15428 3.700 0.432 3.189 -1.1551 0.2098 -1.5944 128DPPE H11S15429 3.565 0.548 3.144 -2.3796 -1.7432 1.1487 128DPPE C21215430 3.554 0.485 3.340 0.2605 -0.4769 0.2044 128DPPE H12R15431 3.495 0.573 3.374 -0.7660 -0.6592 -1.0351 128DPPE H12S15432 3.619 0.441 3.418 0.7960 -1.4845 -0.7730 128DPPE C21315433 3.448 0.376 3.325 0.1567 -0.3451 -0.0140 128DPPE H13R15434 3.509 0.290 3.291 -0.9546 -0.7448 -1.0773 128DPPE H13S15435 3.383 0.409 3.241 -0.2021 1.6654 0.9877 128DPPE C21415436 3.375 0.351 3.457 -0.1480 0.3628 -0.0423 128DPPE H14R15437 3.329 0.449 3.483 0.0825 -0.0602 2.1510 128DPPE H14S15438 3.442 0.318 3.539 -1.0327 0.6774 0.8308 128DPPE C21515439 3.254 0.261 3.434 0.1986 -0.0387 -0.3126 128DPPE H15R15440 3.281 0.165 3.385 2.3642 1.2302 -1.7362 128DPPE H15S15441 3.186 0.318 3.367 1.0028 -0.8976 -1.9231 128DPPE C21615442 3.170 0.219 3.554 -0.0073 0.1378 -0.3929 128DPPE H16R15443 3.085 0.152 3.529 0.8173 -0.7802 -0.8122 128DPPE H16S15444 3.120 0.302 3.607 -1.3202 -0.8336 -0.0457 128DPPE H16T15445 3.229 0.164 3.630 -2.3315 -2.0489 -0.0227 128DPPE C3315446 3.491 1.972 2.877 0.0870 0.5438 0.1008 128DPPE H3X15447 3.442 1.887 2.824 -1.3638 1.5265 -0.2019 128DPPE H3Y15448 3.479 2.054 2.803 0.5439 -0.5797 -1.2639 128DPPE C3415449 3.417 2.005 3.007 -0.4657 0.3461 -0.1589 128DPPE H4X15450 3.467 1.942 3.084 0.2642 2.5947 1.2898 128DPPE H4Y15451 3.312 1.973 2.993 -0.6855 1.6943 -1.9820 128DPPE C3515452 3.439 2.151 3.047 -0.0051 0.0658 0.6413 128DPPE H5X15453 3.412 2.216 2.961 -0.9659 -0.0331 0.8517 128DPPE H5Y15454 3.545 2.160 3.078 1.1673 -2.8644 -1.8782 128DPPE C3615455 3.339 2.180 3.159 0.0038 0.4270 0.5571 128DPPE H6X15456 3.236 2.142 3.143 -0.8580 2.8217 -0.0282 128DPPE H6Y15457 3.345 2.291 3.162 1.7722 0.5868 -3.1757 128DPPE C3715458 3.381 2.132 3.299 0.4511 -0.5597 0.0921 128DPPE H7X15459 3.482 2.169 3.322 0.0544 2.5427 -2.4175 128DPPE H7Y15460 3.385 2.021 3.292 1.5299 -0.5569 0.5391 128DPPE C3815461 3.278 2.180 3.402 0.1155 0.0508 -0.5155 128DPPE H8X15462 3.183 2.124 3.392 -1.4218 2.7735 -2.0370 128DPPE H8Y15463 3.260 2.288 3.387 0.7914 0.3495 0.7389 128DPPE C3915464 3.339 2.173 3.542 0.0253 0.7522 -0.4393 128DPPE H9X15465 3.437 2.223 3.549 0.5945 -0.4253 0.4406 128DPPE H9Y15466 3.368 2.067 3.561 -1.2250 0.5322 0.3663 128DPPE C31015467 3.250 2.240 3.647 -0.0645 0.0107 -0.0310 128DPPE H10X15468 3.161 2.178 3.672 -2.2387 2.2626 -1.6333 128DPPE H10Y15469 3.217 2.340 3.611 4.2537 2.0714 1.0590 128DPPE C31115470 3.324 2.267 3.778 -0.0832 -0.3047 0.0448 128DPPE H11X15471 3.390 2.357 3.775 -0.5015 0.0331 0.7329 128DPPE H11Y15472 3.406 2.195 3.798 1.6487 1.7696 0.8595 128DPPE C31215473 3.234 2.282 3.901 -0.0205 -0.1109 0.0674 128DPPE H12X15474 3.159 2.200 3.910 -2.3597 1.6310 -1.8290 128DPPE H12Y15475 3.181 2.376 3.874 -1.6761 -1.1183 -0.3659 128DPPE C31315476 3.315 2.288 4.030 -0.1441 0.2231 0.1303 128DPPE H13X15477 3.270 2.327 4.124 2.8778 1.1951 1.2915 128DPPE H13Y15478 3.402 2.353 4.005 0.3704 -1.5147 -3.1105 128DPPE C31415479 3.378 2.152 4.061 -0.7607 0.0447 0.6232 128DPPE H14X15480 3.427 2.143 4.160 1.2548 -1.0492 -0.4070 128DPPE H14Y15481 3.464 2.129 3.995 -0.6735 -3.1395 1.6937 128DPPE C31515482 3.284 2.032 4.050 0.2635 -0.6951 -0.2089 128DPPE H15X15483 3.274 2.016 3.940 1.9713 -0.9241 -0.3517 128DPPE H15Y15484 3.181 2.064 4.076 0.0514 -0.1053 -1.6650 128DPPE C31615485 3.307 1.899 4.121 -0.8003 -0.5357 0.4507 128DPPE H16X15486 3.300 1.895 4.232 -0.4142 -0.5855 0.4734 128DPPE H16Y15487 3.227 1.830 4.086 0.0473 -1.7585 0.8640 128DPPE H16Z15488 3.397 1.854 4.074 -1.3923 1.0160 -2.3994 129SOL OH215489 4.602 2.721 0.576 -0.2457 0.0335 0.0120 129SOL H115490 4.623 2.734 0.483 2.1174 -0.6055 0.4044 129SOL H215491 4.663 2.778 0.623 -2.1139 1.1572 1.2049 130SOL OH215492 3.233 3.190 1.323 0.4483 -0.2598 -0.0150 130SOL H115493 3.326 3.210 1.314 -0.3567 3.4904 -1.7545 130SOL H215494 3.190 3.275 1.324 -3.2222 -1.8589 -2.2337 131SOL OH215495 2.488 4.275 0.918 -0.2405 -0.0080 -0.4029 131SOL H115496 2.525 4.264 0.830 0.2370 -0.5179 -0.1443 131SOL H215497 2.563 4.300 0.972 -0.3359 -0.7139 0.0600 132SOL OH215498 0.727 0.349 6.648 0.3645 0.2215 0.0850 132SOL H115499 0.695 0.437 6.669 -0.9023 0.2543 -1.7307 132SOL H215500 0.661 0.314 6.587 1.8529 -1.2169 -0.7707 133SOL OH215501 2.938 0.204 1.072 -0.2796 0.4131 -0.2233 133SOL H115502 2.865 0.247 1.028 -0.4799 -0.6825 -0.9976 133SOL H215503 2.929 0.112 1.049 0.6939 0.0930 0.6073 134SOL OH215504 4.869 5.965 1.471 -0.7349 0.4332 -0.9015 134SOL H115505 4.864 5.909 1.393 -1.9075 -0.3122 -0.3315 134SOL H215506 4.854 6.054 1.438 -1.0444 0.1472 -1.5480 135SOL OH215507 2.497 4.526 1.611 -0.5201 0.4205 -0.0467 135SOL H115508 2.482 4.469 1.686 1.9804 1.2635 1.2179 135SOL H215509 2.429 4.502 1.548 -1.8049 -1.3372 1.8854 136SOL OH215510 1.452 1.994 1.732 0.1936 1.0323 0.7637 136SOL H115511 1.399 2.032 1.802 -1.4165 2.0120 -0.8932 136SOL H215512 1.389 1.948 1.676 1.2763 1.1198 -0.5763 137SOL OH215513 0.910 4.462 1.691 -0.8843 -0.6785 -0.3563 137SOL H115514 0.921 4.469 1.596 0.0635 -0.1238 -0.2249 137SOL H215515 0.885 4.551 1.718 -1.6268 -0.9513 -0.1425 138SOL OH215516 3.258 4.750 8.408 -0.1627 -0.5432 -0.2288 138SOL H115517 3.282 4.697 8.485 -2.0562 -0.7089 0.2983 138SOL H215518 3.333 4.743 8.350 1.3516 -0.4074 1.6063 139SOL OH215519 4.187 0.629 0.378 0.7380 -0.4517 0.2167 139SOL H115520 4.097 0.605 0.402 -0.2655 1.6181 -1.1616 139SOL H215521 4.220 0.677 0.454 -1.3246 3.4051 -1.0695 140SOL OH215522 4.259 2.178 1.123 0.0260 -0.0891 0.7092 140SOL H115523 4.178 2.192 1.172 0.8569 0.1305 2.0896 140SOL H215524 4.320 2.244 1.157 0.6542 0.0667 -0.6404 141SOL OH215525 2.791 0.998 1.524 0.2718 0.2306 -0.0091 141SOL H115526 2.743 0.916 1.530 -0.0927 0.4357 -0.1255 141SOL H215527 2.730 1.060 1.484 0.1203 0.8902 1.1975 142SOL OH215528 5.751 2.117 0.805 0.4050 0.4065 0.3897 142SOL H115529 5.840 2.124 0.841 1.3506 -0.8289 -1.5528 142SOL H215530 5.741 2.195 0.750 0.4938 0.2895 0.2061 143SOL OH215531 0.694 4.653 0.259 -0.0238 0.0621 0.5898 143SOL H115532 0.710 4.738 0.220 0.8754 -0.3324 0.0737 143SOL H215533 0.726 4.660 0.349 0.2702 0.1900 0.4737 144SOL OH215534 0.817 1.535 0.249 0.3949 -0.0429 0.1672 144SOL H115535 0.886 1.475 0.218 0.2634 0.0246 -0.2669 144SOL H215536 0.736 1.495 0.219 0.2463 -0.0804 0.6110 145SOL OH215537 3.573 1.442 0.268 -0.2166 -0.4663 -0.3267 145SOL H115538 3.581 1.433 0.363 -1.0189 1.1674 -0.0672 145SOL H215539 3.502 1.384 0.244 0.4885 -1.4653 -0.0540 146SOL OH215540 2.117 4.524 7.842 1.2507 -0.0568 0.2930 146SOL H115541 2.182 4.568 7.897 -0.0978 -0.5787 2.4428 146SOL H215542 2.120 4.432 7.869 0.7481 -0.4045 -0.7549 147SOL OH215543 2.572 3.363 6.521 0.5761 0.3941 0.0452 147SOL H115544 2.542 3.275 6.543 1.4036 0.4772 1.6429 147SOL H215545 2.492 3.409 6.493 0.0013 -0.6231 -0.0451 148SOL OH215546 5.539 1.642 0.947 0.2335 -0.2324 -0.2566 148SOL H115547 5.556 1.736 0.947 1.1672 -0.3755 0.7337 148SOL H215548 5.522 1.621 1.039 0.9006 -1.1679 -0.3321 149SOL OH215549 0.341 3.253 6.592 0.3277 0.1627 -0.1139 149SOL H115550 0.265 3.218 6.546 2.6106 -2.2411 -2.3810 149SOL H215551 0.376 3.180 6.642 0.3085 1.6707 2.3019 150SOL OH215552 0.810 1.533 7.775 -0.6934 0.0929 0.4325 150SOL H115553 0.740 1.558 7.715 -1.8128 1.3303 2.1701 150SOL H215554 0.790 1.442 7.798 0.4197 -0.8149 -1.8838 151SOL OH215555 1.502 2.873 1.750 -0.2634 0.2012 -0.1769 151SOL H115556 1.416 2.840 1.774 1.0408 -2.2990 1.6287 151SOL H215557 1.547 2.884 1.834 1.5775 0.0811 -1.1011 152SOL OH215558 1.339 2.031 1.307 0.1858 -0.0842 0.5363 152SOL H115559 1.306 1.980 1.233 -1.4425 0.0721 1.1150 152SOL H215560 1.422 2.066 1.276 1.2878 -2.8595 0.0327 153SOL OH215561 5.701 2.691 6.736 0.2628 0.3215 0.0840 153SOL H115562 5.685 2.774 6.692 -0.1538 0.5283 0.6151 153SOL H215563 5.619 2.672 6.782 0.0311 -0.8222 -0.7274 154SOL OH215564 5.790 0.174 0.412 0.5875 -0.7669 -0.2503 154SOL H115565 5.723 0.239 0.392 0.3748 -0.8982 0.0169 154SOL H215566 5.829 0.152 0.328 1.0729 0.1462 -0.2795 155SOL OH215567 4.741 2.202 0.969 0.7552 -0.7086 0.7256 155SOL H115568 4.737 2.160 0.883 1.3283 -0.0234 0.3435 155SOL H215569 4.649 2.212 0.995 0.4189 1.2517 -0.9264 156SOL OH215570 5.606 0.513 0.525 -0.1883 0.4386 -0.3617 156SOL H115571 5.677 0.568 0.559 -0.4263 0.9407 -0.6650 156SOL H215572 5.576 0.463 0.600 2.4904 -2.0405 -0.7813 157SOL OH215573 1.037 5.657 8.399 -0.2675 0.8086 0.2937 157SOL H115574 1.099 5.710 8.350 -1.1995 1.6966 0.0453 157SOL H215575 0.998 5.598 8.334 -0.5450 1.0749 0.2174 158SOL OH215576 0.533 1.240 8.395 0.7102 0.7350 -0.6370 158SOL H115577 0.628 1.233 8.382 0.4063 -0.1853 -2.6810 158SOL H215578 0.500 1.152 8.378 -0.5945 1.2263 -0.7183 159SOL OH215579 1.696 3.392 1.661 0.2670 -0.2807 0.1074 159SOL H115580 1.655 3.315 1.621 0.3334 -0.1824 -0.1517 159SOL H215581 1.643 3.465 1.631 -0.0747 -0.2689 0.7312 160SOL OH215582 5.093 1.694 6.765 0.3612 -0.2521 -0.7117 160SOL H115583 5.118 1.632 6.834 -0.8986 -0.9854 -0.8799 160SOL H215584 5.100 1.780 6.806 -0.5098 -0.6914 0.3884 161SOL OH215585 2.862 4.074 0.229 0.1044 0.1543 0.2913 161SOL H115586 2.856 4.127 0.150 -1.1571 1.1531 1.0274 161SOL H215587 2.950 4.092 0.264 1.2536 -1.4034 -1.5831 162SOL OH215588 2.497 2.344 1.128 0.5667 -0.3101 0.3453 162SOL H115589 2.565 2.344 1.196 -1.2334 0.9199 2.2832 162SOL H215590 2.437 2.413 1.156 -0.2391 0.2844 -2.5919 163SOL OH215591 4.556 5.856 7.285 -0.0189 0.0795 0.3630 163SOL H115592 4.578 5.871 7.377 1.8692 -0.4533 0.0517 163SOL H215593 4.552 5.943 7.247 -3.0796 0.4805 1.3370 164SOL OH215594 5.864 5.895 1.193 -0.2468 -0.1380 -0.3017 164SOL H115595 5.788 5.892 1.252 0.6608 -2.6045 0.8479 164SOL H215596 5.924 5.830 1.228 1.5425 0.2979 -2.3939 165SOL OH215597 2.313 1.042 0.388 0.0226 0.3068 0.0515 165SOL H115598 2.232 1.079 0.422 -1.0061 0.4990 -2.4050 165SOL H215599 2.294 0.949 0.377 0.2553 0.2934 -0.2435 166SOL OH215600 5.853 5.297 8.269 -0.3427 -0.1986 -0.7625 166SOL H115601 5.795 5.324 8.340 1.1297 0.3501 0.2705 166SOL H215602 5.830 5.355 8.196 0.6027 1.7767 0.4292 167SOL OH215603 4.219 5.866 7.300 -0.1652 -0.1263 -0.8721 167SOL H115604 4.181 5.806 7.236 -0.3514 -1.9715 0.8598 167SOL H215605 4.145 5.893 7.354 0.4617 -1.5560 0.8099 168SOL OH215606 1.703 3.085 1.895 -0.0303 -0.5719 0.3984 168SOL H115607 1.738 2.998 1.913 -1.0841 -0.5765 2.8650 168SOL H215608 1.642 3.072 1.822 0.7916 -1.6259 -0.1213 169SOL OH215609 5.404 1.245 0.472 -0.3854 0.1847 0.6425 169SOL H115610 5.372 1.332 0.445 0.8359 1.1584 2.1866 169SOL H215611 5.484 1.232 0.421 -0.4441 0.0630 0.5808 170SOL OH215612 2.276 0.657 0.591 -0.0600 -0.6580 -0.1675 170SOL H115613 2.212 0.718 0.626 -1.1474 -1.2007 -1.1530 170SOL H215614 2.254 0.572 0.630 -0.9272 -1.1502 -1.6597 171SOL OH215615 4.056 2.737 7.538 0.4292 0.2073 0.2352 171SOL H115616 4.005 2.768 7.613 0.6765 1.3091 -0.0318 171SOL H215617 4.032 2.797 7.467 0.9541 -0.2040 -0.2942 172SOL OH215618 2.575 4.639 1.859 0.5185 -0.8949 -0.3977 172SOL H115619 2.560 4.636 1.765 -0.4652 -1.6170 -0.2300 172SOL H215620 2.491 4.616 1.898 0.2950 1.5074 0.7087 173SOL OH215621 5.009 1.174 7.259 -0.5888 -0.1996 -0.0306 173SOL H115622 4.929 1.135 7.295 -0.9950 1.2614 0.7307 173SOL H215623 5.068 1.183 7.334 -0.1351 -0.2510 -0.3775 174SOL OH215624 0.423 1.283 0.804 -0.5525 -0.2024 0.1183 174SOL H115625 0.334 1.296 0.773 -0.9592 1.0077 1.7086 174SOL H215626 0.476 1.344 0.753 -1.1164 1.2761 1.2304 175SOL OH215627 2.030 5.911 7.194 0.2970 0.5848 -0.3847 175SOL H115628 2.098 5.954 7.245 -0.1275 3.0303 -1.7374 175SOL H215629 2.022 5.964 7.115 -0.6251 -1.7769 -1.9784 176SOL OH215630 4.538 1.780 0.266 -0.4336 -0.5903 -0.3683 176SOL H115631 4.551 1.710 0.330 1.0691 1.3485 1.6005 176SOL H215632 4.594 1.756 0.192 0.8327 -1.0000 0.6875 177SOL OH215633 5.611 1.671 0.374 -0.4474 0.1584 -0.3091 177SOL H115634 5.624 1.659 0.469 1.3896 1.3547 -0.3601 177SOL H215635 5.550 1.744 0.367 0.0079 0.5675 -0.0421 178SOL OH215636 1.402 0.204 2.419 -0.0703 -0.8652 -0.7089 178SOL H115637 1.369 0.169 2.501 -0.4455 -0.8648 -0.8609 178SOL H215638 1.497 0.192 2.425 -0.1958 -2.0448 -0.8201 179SOL OH215639 2.960 1.053 8.023 0.0815 -0.2476 0.6109 179SOL H115640 2.920 1.105 8.093 2.0327 0.3908 1.3244 179SOL H215641 3.044 1.096 8.007 0.2481 -1.1698 -1.2306 180SOL OH215642 3.401 2.274 8.195 0.7146 0.2491 0.1964 180SOL H115643 3.375 2.361 8.165 1.7745 0.6662 0.4441 180SOL H215644 3.336 2.215 8.158 -0.3520 1.2048 0.5006 181SOL OH215645 2.903 1.869 -0.003 -0.1377 0.8221 0.3841 181SOL H115646 2.959 1.791 -0.002 0.6104 1.3524 1.1601 181SOL H215647 2.829 1.846 0.053 1.1191 1.3767 2.3714 182SOL OH215648 -0.018 3.964 1.111 0.0577 0.2425 -0.0523 182SOL H115649 0.007 3.889 1.167 0.4554 0.1266 -0.3766 182SOL H215650 0.046 3.962 1.040 0.1251 0.9509 -0.0138 183SOL OH215651 3.283 2.134 1.607 -0.6762 -0.1474 0.0871 183SOL H115652 3.317 2.059 1.558 -0.0556 -0.6274 1.1989 183SOL H215653 3.360 2.190 1.620 -0.9716 0.2933 -0.0376 184SOL OH215654 2.063 0.610 0.196 0.4787 0.4290 0.4955 184SOL H115655 2.118 0.665 0.140 0.2380 -0.9211 -1.1747 184SOL H215656 2.020 0.550 0.135 0.5737 -1.4659 2.1861 185SOL OH215657 4.386 2.323 8.229 -0.3527 -0.2701 -0.5841 185SOL H115658 4.318 2.355 8.288 1.7456 -1.3651 2.6763 185SOL H215659 4.361 2.233 8.210 -0.3902 -0.3150 -0.3200 186SOL OH215660 2.965 0.923 6.947 -0.6311 -0.0273 0.0251 186SOL H115661 2.995 0.842 6.906 -0.8039 0.3919 -0.9554 186SOL H215662 3.016 0.992 6.904 -1.6207 0.5207 -0.2947 187SOL OH215663 5.697 5.039 6.383 0.0983 0.1014 0.3643 187SOL H115664 5.633 4.994 6.328 -0.5492 -0.2460 1.3778 187SOL H215665 5.729 4.972 6.443 0.7508 0.4907 0.4617 188SOL OH215666 5.622 3.075 2.101 -0.3885 0.1091 0.2610 188SOL H115667 5.606 3.169 2.110 -2.5645 -0.1749 0.0098 188SOL H215668 5.622 3.060 2.007 -1.5063 -0.3284 0.3176 189SOL OH215669 4.035 5.972 1.683 0.5345 0.5022 -0.1331 189SOL H115670 3.969 5.915 1.642 0.5009 -0.1585 0.8070 189SOL H215671 4.035 5.946 1.775 2.2084 0.4026 -0.1395 190SOL OH215672 0.579 5.432 0.168 0.5015 0.1301 0.0447 190SOL H115673 0.568 5.420 0.074 -1.2618 0.8568 0.1295 190SOL H215674 0.524 5.364 0.207 0.6577 0.2876 0.5435 191SOL OH215675 5.344 3.350 0.225 0.1989 -0.0919 0.8133 191SOL H115676 5.425 3.348 0.277 0.5892 1.1785 0.3013 191SOL H215677 5.302 3.266 0.243 1.7380 -0.8833 0.9233 192SOL OH215678 0.705 0.383 7.967 0.2271 -0.2777 -0.5637 192SOL H115679 0.749 0.367 8.050 1.3438 0.2070 -1.0368 192SOL H215680 0.736 0.470 7.940 -0.3014 -0.3278 -1.3665 193SOL OH215681 1.977 5.036 6.531 -0.4146 -0.3980 0.2797 193SOL H115682 2.040 5.028 6.459 -1.3023 0.6794 -0.6565 193SOL H215683 1.910 4.970 6.511 -2.9801 2.6363 -2.4443 194SOL OH215684 5.904 0.853 1.076 0.5601 0.6424 -0.1172 194SOL H115685 5.914 0.948 1.070 1.4368 0.6876 1.7124 194SOL H215686 5.811 0.839 1.092 0.3445 1.1502 -0.9080 195SOL OH215687 3.037 1.624 -0.002 -0.1066 0.1157 -0.1676 195SOL H115688 3.126 1.592 0.009 0.4792 1.5515 -0.5506 195SOL H215689 2.983 1.561 0.047 1.0289 -1.1094 -0.4154 196SOL OH215690 0.564 2.174 0.821 -0.2732 0.3022 0.9143 196SOL H115691 0.551 2.081 0.798 0.2947 0.5582 -0.5307 196SOL H215692 0.511 2.221 0.757 -0.2618 0.9956 1.4138 197SOL OH215693 3.038 3.466 0.681 -0.7793 0.2441 -0.7188 197SOL H115694 3.075 3.431 0.762 1.8917 0.0431 -1.9143 197SOL H215695 3.023 3.559 0.699 0.4210 0.3456 -0.1773 198SOL OH215696 0.828 1.806 0.332 0.4148 0.1957 -0.2294 198SOL H115697 0.820 1.713 0.312 1.1280 -0.3249 1.7321 198SOL H215698 0.921 1.825 0.323 0.1546 0.9897 -1.5698 199SOL OH215699 0.668 1.990 7.121 0.4153 -1.2298 -0.1147 199SOL H115700 0.731 1.918 7.115 -0.3361 -2.0609 1.4520 199SOL H215701 0.583 1.947 7.127 -0.4092 -0.1216 -2.5176 200SOL OH215702 5.751 2.961 8.315 -0.2511 0.4501 0.0539 200SOL H115703 5.747 2.869 8.290 -0.1668 1.0971 -2.6608 200SOL H215704 5.679 2.973 8.376 -1.2630 -1.0927 -0.7863 201SOL OH215705 3.896 0.961 5.498 -0.2098 0.3719 -0.0694 201SOL H115706 3.979 0.916 5.482 1.2715 2.6309 0.6722 201SOL H215707 3.868 0.990 5.411 -1.5142 -2.3699 -0.6387 202SOL OH215708 4.873 1.283 2.660 -0.3347 -0.9892 0.0422 202SOL H115709 4.793 1.331 2.679 0.6020 0.0839 1.4593 202SOL H215710 4.859 1.197 2.701 -0.5314 -0.6001 0.8040 203SOL OH215711 4.496 3.441 1.832 0.6324 -0.2546 0.2521 203SOL H115712 4.486 3.531 1.861 2.3451 -0.2230 0.8583 203SOL H215713 4.589 3.421 1.847 0.5006 -1.8035 -0.7612 204SOL OH215714 4.485 0.400 0.617 0.3325 -0.5249 0.4168 204SOL H115715 4.518 0.373 0.531 -1.5741 -1.8745 0.0462 204SOL H215716 4.467 0.493 0.608 1.0600 -0.4393 -0.3103 205SOL OH215717 5.021 1.003 7.987 -0.1768 -0.2643 0.2606 205SOL H115718 5.036 1.098 7.982 1.4419 -0.5521 -2.0772 205SOL H215719 5.058 0.978 8.072 2.3382 0.8233 -0.4085 206SOL OH215720 1.572 1.264 2.514 -0.1673 0.0946 -0.8047 206SOL H115721 1.606 1.244 2.427 1.2742 0.9191 -0.4536 206SOL H215722 1.531 1.182 2.542 1.7554 -1.0698 -1.1576 207SOL OH215723 3.935 1.080 0.141 0.2908 0.1796 -0.4813 207SOL H115724 3.846 1.082 0.177 0.2343 -2.8624 -0.1838 207SOL H215725 3.988 1.040 0.210 1.4919 0.1436 -1.3893 208SOL OH215726 3.928 5.711 7.953 0.2816 -0.5555 0.5994 208SOL H115727 3.836 5.711 7.924 -0.3940 3.5922 1.9962 208SOL H215728 3.976 5.752 7.881 0.1714 1.2200 1.4563 209SOL OH215729 2.231 3.875 8.444 -0.3931 0.1283 -0.2295 209SOL H115730 2.214 3.789 8.406 1.3593 -1.6010 2.5428 209SOL H215731 2.314 3.903 8.403 -0.2761 -0.1208 -0.1644 210SOL OH215732 5.873 1.708 0.114 0.4358 0.2119 -0.9283 210SOL H115733 5.855 1.632 0.169 -1.8139 1.9815 0.9668 210SOL H215734 5.869 1.674 0.024 -4.5347 -1.3955 -0.4119 211SOL OH215735 1.080 1.115 7.638 -0.3105 0.0368 0.0139 211SOL H115736 1.157 1.157 7.677 -0.2021 -1.0668 1.0275 211SOL H215737 1.110 1.084 7.553 0.2245 0.0298 0.2012 212SOL OH215738 3.523 0.319 0.303 -0.1274 0.2053 -0.1299 212SOL H115739 3.553 0.267 0.228 0.1846 0.0402 0.1001 212SOL H215740 3.602 0.331 0.356 -0.0329 1.5579 -0.5402 213SOL OH215741 0.127 1.233 0.063 0.2039 0.4259 0.0052 213SOL H115742 0.178 1.248 -0.017 -0.0028 -2.4558 -0.7677 213SOL H215743 0.043 1.276 0.047 0.5838 0.8749 -0.8161 214SOL OH215744 2.253 2.450 1.252 0.4013 0.0998 0.3860 214SOL H115745 2.166 2.418 1.276 -0.0561 1.1540 0.1920 214SOL H215746 2.301 2.454 1.334 0.1833 -0.2286 0.5321 215SOL OH215747 2.854 3.303 1.508 0.3925 0.3354 0.0248 215SOL H115748 2.793 3.233 1.486 -0.4068 0.7028 0.9645 215SOL H215749 2.905 3.269 1.582 1.5382 -0.0678 -0.9201 216SOL OH215750 0.432 2.463 7.785 -0.5508 -0.0694 -0.2369 216SOL H115751 0.414 2.489 7.876 0.5568 0.3475 -0.1282 216SOL H215752 0.459 2.371 7.792 -2.1914 -0.6053 -0.3666 217SOL OH215753 5.063 2.982 0.594 0.0738 0.1313 -0.3205 217SOL H115754 5.093 3.067 0.626 1.9070 0.1367 -1.8552 217SOL H215755 5.047 2.930 0.673 1.3485 1.1098 0.6203 218SOL OH215756 1.327 0.386 6.738 -0.1297 0.5604 -0.4998 218SOL H115757 1.357 0.365 6.827 1.5479 1.6337 -0.7547 218SOL H215758 1.233 0.401 6.747 -0.5472 -2.1631 0.5291 219SOL OH215759 2.903 0.227 1.912 -0.9130 0.0285 0.1639 219SOL H115760 2.936 0.271 1.990 1.8510 0.2928 -1.0278 219SOL H215761 2.895 0.297 1.847 -0.7512 -0.5453 -0.4889 220SOL OH215762 2.375 4.983 7.679 0.3310 -0.1729 0.4307 220SOL H115763 2.374 5.035 7.760 0.3934 0.7224 -0.1341 220SOL H215764 2.423 4.904 7.702 -0.8035 -0.5529 1.6415 221SOL OH215765 0.924 4.308 6.924 -0.6219 -0.2713 -0.2721 221SOL H115766 0.998 4.249 6.942 1.5997 2.4738 0.2306 221SOL H215767 0.901 4.345 7.010 -1.4133 0.2063 -0.6808 222SOL OH215768 4.388 1.781 7.036 -0.4610 -0.0158 -0.0905 222SOL H115769 4.327 1.760 7.107 -1.5547 -1.6081 -1.4336 222SOL H215770 4.342 1.849 6.986 -0.9132 -0.8256 -0.7910 223SOL OH215771 0.159 0.930 7.770 -0.1130 -0.3639 0.4358 223SOL H115772 0.239 0.910 7.817 0.7430 1.5560 -0.0963 223SOL H215773 0.131 0.847 7.732 0.2789 -1.5427 2.6015 224SOL OH215774 5.018 2.364 6.549 -0.4608 -0.8214 -0.1084 224SOL H115775 5.009 2.331 6.459 0.1362 1.6962 -1.1854 224SOL H215776 5.010 2.459 6.540 -2.1135 -0.5809 2.7612 225SOL OH215777 5.723 4.718 8.396 0.8732 -0.4019 -0.4028 225SOL H115778 5.665 4.770 8.340 -1.9662 -1.2447 1.5478 225SOL H215779 5.697 4.627 8.380 3.0236 -1.0056 -0.8274 226SOL OH215780 0.901 5.356 7.153 0.2626 0.4898 0.8234 226SOL H115781 0.924 5.286 7.213 2.8228 1.3389 0.9612 226SOL H215782 0.984 5.383 7.114 -0.8941 2.1340 -0.6908 227SOL OH215783 1.020 2.154 1.254 0.7567 -0.2504 -0.2134 227SOL H115784 1.010 2.061 1.274 1.0667 -0.3057 -0.3239 227SOL H215785 0.989 2.162 1.164 -2.6185 0.3364 0.8626 228SOL OH215786 5.050 4.841 0.715 0.3681 0.7084 0.1635 228SOL H115787 5.093 4.844 0.629 -0.3912 -1.5367 -0.3904 228SOL H215788 5.106 4.783 0.767 -1.0476 -0.9726 -0.0717 229SOL OH215789 1.324 4.013 8.394 -0.2428 0.1923 -0.0333 229SOL H115790 1.360 4.081 8.337 -0.6840 1.3127 0.9804 229SOL H215791 1.386 4.006 8.466 -0.8245 0.4119 0.4938 230SOL OH215792 0.342 0.504 0.434 0.0601 -0.4742 -0.5325 230SOL H115793 0.293 0.561 0.493 0.3858 0.3198 -1.0032 230SOL H215794 0.280 0.485 0.363 -0.0310 -0.6720 -0.4021 231SOL OH215795 1.294 0.029 1.310 0.3344 0.2405 0.8988 231SOL H115796 1.216 -0.025 1.321 -0.1536 0.9799 1.1439 231SOL H215797 1.352 0.004 1.382 -0.7821 1.5350 2.3244 232SOL OH215798 3.957 3.534 6.286 0.6465 0.5716 -0.0214 232SOL H115799 4.008 3.610 6.314 0.1023 0.9435 -0.0282 232SOL H215800 4.000 3.460 6.328 -1.0210 1.2274 3.2089 233SOL OH215801 3.676 2.536 1.392 -0.1988 0.2033 -0.2984 233SOL H115802 3.678 2.535 1.488 -0.6329 3.2991 -0.1375 233SOL H215803 3.582 2.533 1.371 -0.0878 -1.0672 -0.7028 234SOL OH215804 5.471 4.935 6.786 0.1482 0.3947 0.2714 234SOL H115805 5.409 5.004 6.762 2.1251 1.6081 -1.7473 234SOL H215806 5.557 4.973 6.769 1.3481 -2.5183 -0.8416 235SOL OH215807 4.750 4.594 1.461 0.4563 -0.4211 0.1751 235SOL H115808 4.819 4.653 1.429 -0.2817 -0.6472 -1.9666 235SOL H215809 4.761 4.595 1.556 1.6953 1.6549 0.0862 236SOL OH215810 4.101 5.595 6.383 0.1401 -0.1162 0.6059 236SOL H115811 4.170 5.623 6.443 -0.0802 1.4039 0.1773 236SOL H215812 4.066 5.676 6.346 0.1512 -0.9775 -1.4418 237SOL OH215813 1.300 0.270 1.172 -0.8148 0.4665 0.0236 237SOL H115814 1.281 0.190 1.222 -0.0334 -1.3437 -2.3726 237SOL H215815 1.384 0.299 1.205 -0.2676 -0.7510 -0.2301 238SOL OH215816 5.328 5.940 6.461 0.6307 -0.0238 -0.5967 238SOL H115817 5.327 6.034 6.479 -0.6677 0.1340 -1.3676 238SOL H215818 5.311 5.898 6.545 0.3409 0.4698 -0.4076 239SOL OH215819 0.702 5.328 1.821 0.2603 -0.3523 -0.3053 239SOL H115820 0.788 5.329 1.863 -0.7693 -0.3641 1.8970 239SOL H215821 0.709 5.393 1.751 2.5459 -1.5067 -1.2616 240SOL OH215822 1.982 1.312 7.905 0.0085 -0.8255 -0.0832 240SOL H115823 1.947 1.305 7.817 0.3468 -1.0301 -0.2036 240SOL H215824 2.063 1.361 7.895 0.6869 -1.9121 -0.0682 241SOL OH215825 0.129 2.767 6.649 0.3551 -0.4433 0.3098 241SOL H115826 0.151 2.840 6.707 -1.4902 1.6491 -1.4603 241SOL H215827 0.035 2.752 6.664 0.2777 -1.1317 -0.7664 242SOL OH215828 4.950 5.463 1.947 0.4619 0.3919 -0.0259 242SOL H115829 5.036 5.428 1.970 0.8619 0.0365 -1.8512 242SOL H215830 4.894 5.386 1.939 -1.0241 0.7574 4.3806 243SOL OH215831 1.298 0.257 0.039 -0.5578 -0.5780 -0.1683 243SOL H115832 1.359 0.315 0.085 0.7553 -0.5807 -1.8275 243SOL H215833 1.346 0.176 0.027 -1.2357 -0.9169 -0.6943 244SOL OH215834 3.603 4.840 7.047 -0.1811 -0.0033 0.4530 244SOL H115835 3.628 4.783 7.120 -2.4943 0.6815 1.8589 244SOL H215836 3.657 4.918 7.059 0.9140 -0.6873 0.1906 245SOL OH215837 3.944 1.261 0.837 0.4552 -0.2212 -0.1216 245SOL H115838 4.015 1.309 0.880 0.0604 -0.2482 0.5663 245SOL H215839 3.884 1.329 0.806 0.7817 -0.1979 -0.7136 246SOL OH215840 2.417 0.239 6.671 0.0677 -0.3477 -1.0084 246SOL H115841 2.415 0.165 6.733 2.4809 0.8482 0.6456 246SOL H215842 2.503 0.234 6.631 0.4353 1.7238 -0.6006 247SOL OH215843 5.151 1.863 7.658 0.8321 -0.6397 0.1517 247SOL H115844 5.186 1.830 7.575 0.8533 1.0016 -0.5265 247SOL H215845 5.061 1.830 7.662 0.1577 0.8593 -1.5051 248SOL OH215846 4.265 0.448 1.160 0.5970 0.1349 0.6152 248SOL H115847 4.208 0.383 1.118 -1.7173 2.4477 -0.1400 248SOL H215848 4.215 0.478 1.236 0.5188 2.4829 -0.2623 249SOL OH215849 1.696 0.700 6.660 0.5551 -0.2305 -0.2498 249SOL H115850 1.775 0.660 6.694 -0.7958 -2.1970 0.7896 249SOL H215851 1.654 0.631 6.608 -0.9027 0.4502 -0.0277 250SOL OH215852 2.808 3.035 1.388 0.0518 0.8187 0.0201 250SOL H115853 2.848 2.951 1.364 -1.6301 0.2653 -1.0409 250SOL H215854 2.762 3.017 1.470 2.3665 1.6253 1.6017 251SOL OH215855 0.869 5.984 7.797 -0.2275 -0.4850 -0.1201 251SOL H115856 0.783 5.983 7.839 -0.4852 0.8145 -0.5872 251SOL H215857 0.876 6.071 7.758 1.2982 -0.5747 -0.1032 252SOL OH215858 1.829 2.884 1.681 0.3992 -0.5406 0.2130 252SOL H115859 1.891 2.889 1.609 0.6204 0.1124 0.4409 252SOL H215860 1.787 2.799 1.671 0.0360 -0.2360 -1.0041 253SOL OH215861 1.534 0.159 6.812 0.1051 -0.3664 0.0925 253SOL H115862 1.507 0.241 6.853 -1.1847 -0.4002 -0.6548 253SOL H215863 1.630 0.162 6.816 0.0773 -0.2459 2.8110 254SOL OH215864 3.351 4.489 0.381 0.0951 -0.0105 -0.1317 254SOL H115865 3.350 4.554 0.451 0.3648 -0.3232 0.1649 254SOL H215866 3.409 4.419 0.413 -2.4354 -1.8171 0.8423 255SOL OH215867 3.601 5.089 0.231 -0.3341 -0.4034 0.0326 255SOL H115868 3.551 5.170 0.232 -0.0533 -0.1403 -2.2287 255SOL H215869 3.582 5.048 0.315 -2.3456 0.8747 0.2693 256SOL OH215870 3.112 4.228 1.010 0.3075 -0.1829 -0.3252 256SOL H115871 3.031 4.253 1.055 0.0993 -3.2498 1.2282 256SOL H215872 3.090 4.230 0.917 -1.1698 0.2116 0.0108 257SOL OH215873 0.283 1.812 6.762 -0.0540 -0.9376 -0.1010 257SOL H115874 0.265 1.762 6.682 1.6203 -0.8741 -0.5792 257SOL H215875 0.339 1.754 6.814 -1.3957 -1.1045 1.2050 258SOL OH215876 3.943 3.134 6.997 0.3547 0.0578 -0.4739 258SOL H115877 3.900 3.138 6.911 1.2314 0.9464 -0.8926 258SOL H215878 3.878 3.092 7.054 -0.5074 0.0713 -1.4120 259SOL OH215879 1.600 1.961 0.671 -0.3521 -0.2389 -0.0931 259SOL H115880 1.655 1.998 0.741 0.3730 1.9344 -1.6979 259SOL H215881 1.511 1.982 0.697 0.0275 4.0590 -1.4558 260SOL OH215882 1.626 1.441 0.311 -0.0479 -0.0028 -0.3556 260SOL H115883 1.555 1.484 0.358 1.2721 2.2522 -0.2673 260SOL H215884 1.615 1.469 0.220 1.2334 1.2102 -0.1770 261SOL OH215885 3.352 4.998 7.166 0.1383 -0.1251 0.3566 261SOL H115886 3.264 4.962 7.180 0.3830 -0.6923 0.4433 261SOL H215887 3.383 4.955 7.087 -1.9275 4.2802 -3.3683 262SOL OH215888 3.730 0.264 6.576 0.0850 0.0855 -0.6306 262SOL H115889 3.757 0.255 6.668 0.1259 -1.5609 -0.7831 262SOL H215890 3.798 0.320 6.537 -2.1081 4.5728 1.1998 263SOL OH215891 1.128 5.458 6.218 -0.2693 0.1750 -0.2918 263SOL H115892 1.206 5.462 6.273 -0.4969 -0.0827 0.0611 263SOL H215893 1.157 5.486 6.132 0.1245 0.4732 -0.0674 264SOL OH215894 4.281 4.645 0.632 0.2237 0.3933 0.2942 264SOL H115895 4.240 4.729 0.651 0.7763 0.6813 0.2203 264SOL H215896 4.207 4.583 0.627 -0.3006 1.0923 -0.9222 265SOL OH215897 2.856 6.002 6.296 0.8850 0.9826 0.5300 265SOL H115898 2.775 5.953 6.282 1.4375 -0.1536 1.1722 265SOL H215899 2.861 6.061 6.221 -0.7614 1.4044 0.6991 266SOL OH215900 4.655 1.030 0.812 -0.0091 0.1310 -0.0761 266SOL H115901 4.598 1.089 0.762 -0.8691 -1.1429 -0.6544 266SOL H215902 4.740 1.038 0.769 -0.0133 1.2025 0.0825 267SOL OH215903 5.617 0.517 6.109 -0.6992 0.0052 -0.4893 267SOL H115904 5.701 0.512 6.064 -1.0834 2.9247 -1.7649 267SOL H215905 5.556 0.551 6.043 -3.2905 -3.1662 -0.0035 268SOL OH215906 1.978 4.440 0.445 0.4280 0.1621 0.3014 268SOL H115907 2.038 4.420 0.517 0.2398 -1.1475 0.1173 268SOL H215908 1.959 4.355 0.405 0.4950 0.8646 -1.2827 269SOL OH215909 3.629 2.381 7.295 -0.0690 0.2102 0.1938 269SOL H115910 3.595 2.468 7.275 0.8447 0.3509 -0.7931 269SOL H215911 3.704 2.397 7.351 1.1463 0.1923 -1.3653 270SOL OH215912 4.668 0.080 0.777 0.0259 0.0683 -0.3429 270SOL H115913 4.745 0.115 0.731 0.0761 0.5287 0.0855 270SOL H215914 4.687 0.094 0.870 0.2188 -1.4489 -0.1337 271SOL OH215915 2.717 4.952 1.361 0.2442 -0.5663 -0.3181 271SOL H115916 2.798 4.954 1.311 0.7082 -0.6994 0.4044 271SOL H215917 2.648 4.945 1.295 0.7127 1.0217 -1.0317 272SOL OH215918 0.109 1.598 7.236 0.2467 0.2529 -0.8841 272SOL H115919 0.089 1.508 7.211 1.5762 0.1620 -1.7632 272SOL H215920 0.134 1.640 7.154 -1.0357 1.6440 -0.5999 273SOL OH215921 0.723 5.369 8.374 -0.3995 -0.0980 -0.2118 273SOL H115922 0.782 5.420 8.319 -1.7204 0.3738 -1.2357 273SOL H215923 0.775 5.350 8.453 1.1087 0.2718 -1.0695 274SOL OH215924 0.319 2.990 0.754 -0.9639 1.3741 0.7965 274SOL H115925 0.241 2.941 0.727 -1.3118 2.0185 0.6144 274SOL H215926 0.297 3.025 0.840 -0.5315 0.8185 1.1407 275SOL OH215927 1.370 3.888 7.990 -0.3880 0.5344 0.2945 275SOL H115928 1.359 3.793 7.988 -1.4243 0.6297 1.0408 275SOL H215929 1.357 3.916 7.899 -0.9528 0.0588 0.2267 276SOL OH215930 4.448 0.542 7.362 -0.4167 -0.3439 0.0689 276SOL H115931 4.355 0.523 7.347 -1.1017 3.3487 -1.4177 276SOL H215932 4.467 0.617 7.306 4.0494 -2.0419 -1.1229 277SOL OH215933 3.380 0.090 8.260 0.3270 -0.8868 0.4997 277SOL H115934 3.431 0.011 8.281 0.0744 -1.7758 -1.8805 277SOL H215935 3.290 0.058 8.250 -0.0265 -0.0293 0.8515 278SOL OH215936 5.650 1.439 7.565 -0.3720 0.5822 0.8296 278SOL H115937 5.694 1.511 7.611 -0.3222 0.2930 1.2374 278SOL H215938 5.574 1.480 7.523 1.3157 1.5223 -1.5619 279SOL OH215939 4.039 2.548 8.120 -0.6701 -0.1318 -0.6768 279SOL H115940 4.063 2.462 8.084 -0.1138 -1.2527 2.1452 279SOL H215941 3.982 2.528 8.195 1.7221 1.7349 1.8165 280SOL OH215942 3.163 4.157 1.698 0.0987 0.1911 -0.1470 280SOL H115943 3.070 4.148 1.677 0.0122 -0.1646 0.3676 280SOL H215944 3.207 4.099 1.636 -0.0465 0.1329 -0.1965 281SOL OH215945 2.308 1.980 7.678 -0.0606 0.3822 0.3760 281SOL H115946 2.240 2.047 7.683 -1.1661 -0.7749 2.7346 281SOL H215947 2.354 1.986 7.761 2.8179 1.1038 -1.1498 282SOL OH215948 1.078 1.648 2.748 0.0464 -0.0198 -0.3500 282SOL H115949 1.018 1.698 2.804 -0.2020 1.0701 -1.5287 282SOL H215950 1.033 1.565 2.733 0.1655 -0.3815 1.1125 283SOL OH215951 0.042 4.449 1.120 0.0521 -0.9177 -0.2405 283SOL H115952 0.077 4.512 1.183 0.4256 -1.0771 -0.2841 283SOL H215953 0.027 4.369 1.172 -0.3007 -0.8369 -0.2113 284SOL OH215954 5.494 3.427 7.345 0.4825 -0.2307 -0.1947 284SOL H115955 5.512 3.368 7.272 1.7935 -1.0934 0.7727 284SOL H215956 5.547 3.504 7.327 -2.0621 1.2268 -2.0224 285SOL OH215957 1.077 4.726 1.193 -0.5339 0.0636 0.2113 285SOL H115958 1.116 4.653 1.242 1.5186 0.7162 -0.3435 285SOL H215959 1.084 4.800 1.253 0.9939 0.6292 -0.6343 286SOL OH215960 1.906 0.405 0.677 -0.6443 0.5221 -0.6543 286SOL H115961 1.929 0.323 0.720 -0.0222 1.7255 1.4478 286SOL H215962 1.976 0.420 0.614 -1.0299 -0.7573 -1.4462 287SOL OH215963 1.652 1.619 0.622 -0.1961 -0.4545 0.1682 287SOL H115964 1.663 1.677 0.546 1.0699 0.3741 0.9380 287SOL H215965 1.739 1.580 0.635 -0.4731 -0.8034 1.0158 288SOL OH215966 0.252 3.906 0.165 1.2441 -0.4217 -0.2220 288SOL H115967 0.321 3.968 0.141 1.2980 -0.5477 -0.3901 288SOL H215968 0.191 3.958 0.218 0.9218 -0.0324 -0.9531 289SOL OH215969 1.835 0.967 6.753 -0.2352 0.0141 0.1972 289SOL H115970 1.911 0.986 6.809 -0.1534 -0.8809 0.3953 289SOL H215971 1.851 1.019 6.674 0.9959 -0.7710 -0.0954 290SOL OH215972 3.564 0.749 7.546 0.3509 0.0787 0.4252 290SOL H115973 3.585 0.736 7.639 2.2248 -1.0393 -0.0971 290SOL H215974 3.552 0.843 7.537 0.6214 0.2573 1.7129 291SOL OH215975 3.218 1.208 5.924 -0.5569 0.0010 -0.0660 291SOL H115976 3.224 1.246 5.836 -0.9618 -0.9877 -0.5404 291SOL H215977 3.177 1.276 5.977 2.3025 1.7780 0.0968 292SOL OH215978 4.302 5.595 0.347 -0.3257 -0.2740 0.1826 292SOL H115979 4.341 5.517 0.307 1.0304 0.1522 0.5953 292SOL H215980 4.348 5.668 0.306 1.2625 0.1771 2.5346 293SOL OH215981 3.940 4.828 7.234 -0.0801 -0.0800 -0.1103 293SOL H115982 4.012 4.864 7.287 0.8647 -0.1247 -1.3228 293SOL H215983 3.903 4.904 7.189 0.1947 -0.2556 -0.6398 294SOL OH215984 5.743 5.591 0.909 -0.0181 0.5018 -0.2523 294SOL H115985 5.719 5.548 0.991 0.8991 -1.0369 -0.7494 294SOL H215986 5.667 5.580 0.853 0.5370 -1.4541 -0.7152 295SOL OH215987 1.901 0.100 8.144 0.0290 -0.0632 0.2694 295SOL H115988 1.847 0.129 8.217 1.4287 -0.1790 1.3751 295SOL H215989 1.863 0.144 8.068 -1.9893 -0.6083 0.8961 296SOL OH215990 4.161 5.812 0.999 0.3582 0.3495 -0.5576 296SOL H115991 4.177 5.905 0.981 -1.2929 0.5435 -1.2893 296SOL H215992 4.181 5.768 0.916 1.6662 -0.0368 -0.0490 297SOL OH215993 1.731 4.607 7.576 0.6315 0.7297 -0.2087 297SOL H115994 1.749 4.626 7.484 0.8007 0.1706 -0.2963 297SOL H215995 1.799 4.545 7.601 0.7068 1.0315 0.3542 298SOL OH215996 3.659 2.554 2.297 -0.3392 -0.3127 0.2141 298SOL H115997 3.628 2.595 2.215 -1.4161 -1.6568 -0.0777 298SOL H215998 3.659 2.626 2.360 1.8233 1.0960 -1.2307 299SOL OH215999 1.362 0.930 8.235 0.0450 0.5847 0.5655 299SOL H116000 1.351 0.857 8.297 1.0197 0.5849 0.7562 299SOL H216001 1.298 0.913 8.166 -0.0959 -0.1733 0.8755 300SOL OH216002 5.254 0.087 6.797 0.4042 0.5013 -0.5865 300SOL H116003 5.345 0.085 6.768 1.0559 -0.6122 1.3393 300SOL H216004 5.257 0.055 6.887 -1.9289 0.2955 -0.5220 301SOL OH216005 2.348 1.736 1.336 -0.0838 0.0967 0.1426 301SOL H116006 2.359 1.823 1.374 -1.3608 0.2982 0.0955 301SOL H216007 2.395 1.741 1.253 -0.5251 0.8999 -0.0732 302SOL OH216008 3.328 5.703 6.355 0.3186 0.1369 -0.1216 302SOL H116009 3.342 5.614 6.389 -1.1720 0.1545 0.6039 302SOL H216010 3.234 5.707 6.337 0.6370 1.0376 -1.7325 303SOL OH216011 2.688 1.523 0.453 0.1851 0.2126 0.1688 303SOL H116012 2.738 1.474 0.388 -0.4720 1.0236 -0.9686 303SOL H216013 2.753 1.549 0.518 0.7037 -1.3446 0.3183 304SOL OH216014 0.380 3.371 2.274 0.1757 0.3385 0.1828 304SOL H116015 0.461 3.421 2.282 0.3511 -0.2274 2.7621 304SOL H216016 0.312 3.433 2.300 0.3105 -0.4122 2.5467 305SOL OH216017 1.081 1.773 6.960 0.4462 0.3262 0.1511 305SOL H116018 1.106 1.796 6.870 -0.1880 0.5121 0.0181 305SOL H216019 1.157 1.797 7.013 0.2643 1.6171 -0.1441 306SOL OH216020 5.474 3.200 6.171 0.6834 0.1960 0.1578 306SOL H116021 5.493 3.281 6.219 0.1711 1.3737 -1.5186 306SOL H216022 5.378 3.197 6.167 0.7186 0.6023 -1.5104 307SOL OH216023 4.077 2.419 7.626 0.3105 0.3578 -0.3540 307SOL H116024 4.053 2.328 7.643 0.9490 -0.2882 -2.5931 307SOL H216025 4.009 2.451 7.567 0.1317 1.3263 0.3604 308SOL OH216026 2.609 2.706 1.522 0.4152 -0.8506 0.9843 308SOL H116027 2.554 2.731 1.597 -0.6541 -3.0322 1.0016 308SOL H216028 2.621 2.787 1.473 -0.7325 0.1838 2.3253 309SOL OH216029 5.810 3.199 7.887 0.0268 -0.0121 0.6351 309SOL H116030 5.845 3.212 7.799 -2.0220 -1.6524 -0.5315 309SOL H216031 5.799 3.104 7.895 1.3865 -0.0507 3.2277 310SOL OH216032 5.481 0.296 0.707 -0.7209 0.5081 -0.3524 310SOL H116033 5.478 0.261 0.796 -1.2288 -0.6680 -0.8198 310SOL H216034 5.401 0.264 0.665 0.2932 -0.3423 -1.7247 311SOL OH216035 3.389 5.491 0.459 -0.5206 0.2576 0.4764 311SOL H116036 3.329 5.562 0.485 -1.0316 -0.8380 2.5586 311SOL H216037 3.463 5.500 0.519 -0.0330 -0.2537 -0.0416 312SOL OH216038 0.708 5.203 0.648 -0.6924 0.7461 -0.0209 312SOL H116039 0.748 5.264 0.586 0.8660 -0.0154 0.2038 312SOL H216040 0.652 5.148 0.593 0.0994 0.5511 -0.6556 313SOL OH216041 4.691 5.370 7.542 0.2829 0.4378 0.0254 313SOL H116042 4.608 5.354 7.496 -0.2347 -1.1409 1.4130 313SOL H216043 4.675 5.448 7.594 0.3934 1.3743 -1.2842 314SOL OH216044 1.266 3.137 1.951 0.1019 -0.2773 0.2082 314SOL H116045 1.280 3.049 1.986 -0.4607 -0.8026 -0.8322 314SOL H216046 1.322 3.194 2.004 -0.5817 -1.0505 1.8359 315SOL OH216047 2.074 3.425 7.048 -0.5659 -0.0723 0.0259 315SOL H116048 2.069 3.504 7.102 0.5053 -0.7949 1.2275 315SOL H216049 2.139 3.445 6.981 1.0019 -0.4822 1.3593 316SOL OH216050 0.762 5.357 0.442 -0.3162 0.2159 -0.2746 316SOL H116051 0.684 5.391 0.397 0.0988 -1.6650 -2.5920 316SOL H216052 0.831 5.420 0.423 -0.5759 0.3471 -0.7874 317SOL OH216053 4.150 0.107 1.210 0.4292 0.3189 -0.4857 317SOL H116054 4.163 0.085 1.302 2.0825 0.3902 -0.6709 317SOL H216055 4.215 0.054 1.163 -1.2332 -0.6826 -1.7606 318SOL OH216056 1.937 4.855 0.404 -0.4222 0.4496 -0.4555 318SOL H116057 1.938 4.944 0.368 1.6725 0.2627 -0.9562 318SOL H216058 2.028 4.827 0.403 -1.0033 -1.6424 -0.0985 319SOL OH216059 3.461 0.272 1.382 -0.1558 -0.4783 1.0756 319SOL H116060 3.460 0.367 1.394 1.5563 -0.2031 -0.5710 319SOL H216061 3.470 0.237 1.471 -0.5464 0.9034 1.6834 320SOL OH216062 2.427 3.401 1.903 0.4371 0.2281 0.3539 320SOL H116063 2.350 3.442 1.943 -0.7042 -0.6747 -0.7990 320SOL H216064 2.458 3.339 1.969 -0.6436 -0.3213 0.3863 321SOL OH216065 4.871 4.086 6.491 0.2236 0.0366 0.1411 321SOL H116066 4.798 4.140 6.459 0.8785 -0.0974 -1.6969 321SOL H216067 4.849 4.068 6.582 -0.9648 1.7994 0.2451 322SOL OH216068 3.776 2.760 0.843 -0.0684 0.6469 -0.0746 322SOL H116069 3.686 2.768 0.877 0.1533 -0.3122 0.7825 322SOL H216070 3.766 2.767 0.748 -1.2299 -0.7040 -0.0931 323SOL OH216071 4.092 3.470 7.279 0.3820 0.3554 0.3430 323SOL H116072 4.034 3.442 7.208 -0.5296 2.5446 0.1475 323SOL H216073 4.136 3.548 7.245 -0.5027 1.8053 2.3074 324SOL OH216074 2.270 0.028 2.364 0.0197 -0.4187 0.1577 324SOL H116075 2.359 0.047 2.394 -0.4456 -1.3267 2.3067 324SOL H216076 2.237 -0.036 2.427 -2.0685 -0.2970 -0.7467 325SOL OH216077 3.598 1.444 7.520 0.2523 -0.1129 -0.6737 325SOL H116078 3.576 1.486 7.603 0.2640 -0.4898 -0.4754 325SOL H216079 3.513 1.431 7.477 0.3702 1.6470 -1.5066 326SOL OH216080 0.443 2.160 8.371 -0.2052 -0.6562 -0.5864 326SOL H116081 0.454 2.067 8.355 3.5693 -0.3891 -0.3672 326SOL H216082 0.508 2.182 8.438 -1.0840 2.1017 -0.4819 327SOL OH216083 0.660 5.924 0.406 0.4537 -0.1788 -0.1502 327SOL H116084 0.622 5.962 0.327 1.5984 -1.0497 -1.1579 327SOL H216085 0.600 5.853 0.429 -0.0406 0.2610 -0.0559 328SOL OH216086 1.478 1.337 1.758 0.0925 0.1771 -0.2768 328SOL H116087 1.543 1.315 1.825 -0.0439 1.6648 0.3859 328SOL H216088 1.397 1.296 1.789 -0.0352 1.0681 0.6594 329SOL OH216089 3.431 1.523 7.249 -0.0901 -0.0622 0.0236 329SOL H116090 3.483 1.603 7.248 1.4607 -0.9688 -2.5142 329SOL H216091 3.355 1.544 7.303 1.0630 2.5484 0.7807 330SOL OH216092 4.629 2.138 7.521 0.1082 -0.6551 0.2404 330SOL H116093 4.642 2.114 7.429 0.9897 -1.1733 0.4936 330SOL H216094 4.554 2.198 7.519 -2.1753 -3.3138 -0.4517 331SOL OH216095 2.277 2.968 7.300 0.0817 -0.4635 -0.5467 331SOL H116096 2.225 3.017 7.236 -1.5431 -1.5603 -0.1399 331SOL H216097 2.219 2.897 7.328 1.3557 -0.9754 0.9282 332SOL OH216098 2.016 4.291 0.962 0.5285 0.4522 -0.7236 332SOL H116099 1.969 4.217 1.001 1.1824 1.4301 2.1761 332SOL H216100 2.109 4.271 0.976 0.8100 0.9202 -1.7590 333SOL OH216101 1.639 0.618 0.051 0.0949 -0.6791 0.0754 333SOL H116102 1.618 0.545 -0.008 0.7596 -0.4795 -0.4078 333SOL H216103 1.683 0.682 -0.004 -1.2175 0.4750 0.3116 334SOL OH216104 1.973 3.731 7.074 0.4330 -0.6399 -0.7431 334SOL H116105 2.059 3.714 7.115 0.4678 1.1773 0.0603 334SOL H216106 1.914 3.742 7.148 -0.1550 -0.3467 -1.2497 335SOL OH216107 5.134 3.778 0.431 -0.0523 0.7643 0.0827 335SOL H116108 5.040 3.764 0.421 -0.0411 0.0251 0.8796 335SOL H216109 5.174 3.716 0.370 -0.0846 1.8920 -1.1122 336SOL OH216110 0.011 2.296 0.959 0.2491 0.4734 -0.0920 336SOL H116111 0.104 2.287 0.978 0.1912 -0.6773 -0.2686 336SOL H216112 -0.025 2.341 1.036 0.6468 -0.7647 0.8618 337SOL OH216113 0.606 3.504 7.628 0.0695 0.0958 0.3237 337SOL H116114 0.591 3.499 7.722 -1.6198 2.4285 0.2417 337SOL H216115 0.527 3.468 7.588 -0.3332 1.4695 -0.1684 338SOL OH216116 2.395 5.501 7.043 -0.3010 -0.6274 0.2477 338SOL H116117 2.465 5.558 7.075 -2.1331 2.3037 -0.4866 338SOL H216118 2.317 5.558 7.044 -2.1174 -2.9100 -1.4778 339SOL OH216119 3.160 5.913 7.559 -0.1862 -0.7887 0.1644 339SOL H116120 3.109 5.955 7.490 -0.9174 0.0343 1.1853 339SOL H216121 3.134 5.821 7.554 -0.4568 -0.6850 -0.4628 340SOL OH216122 3.036 5.304 1.970 0.3161 -0.8979 -0.5731 340SOL H116123 2.966 5.362 1.942 1.4550 2.4688 2.6941 340SOL H216124 3.000 5.257 2.045 2.1011 3.3372 3.3716 341SOL OH216125 0.629 4.842 2.356 0.8162 0.1678 -0.0339 341SOL H116126 0.551 4.849 2.301 -0.2562 2.8506 1.6101 341SOL H216127 0.696 4.805 2.299 -1.5260 -1.9970 -1.5875 342SOL OH216128 2.239 5.221 7.900 0.1268 -0.4953 -0.3095 342SOL H116129 2.165 5.267 7.940 0.4779 -0.9990 0.9537 342SOL H216130 2.198 5.149 7.852 -0.1846 -1.0331 0.7413 343SOL OH216131 1.935 1.424 6.742 -0.3161 -0.2092 0.0564 343SOL H116132 1.963 1.473 6.665 -0.0629 0.7677 0.7432 343SOL H216133 1.846 1.395 6.721 0.0013 -0.5356 -0.8608 344SOL OH216134 0.274 3.191 7.778 0.6653 0.0690 -0.1446 344SOL H116135 0.192 3.142 7.766 1.9760 -2.0171 -1.2763 344SOL H216136 0.282 3.244 7.699 -1.1784 2.9990 1.4485 345SOL OH216137 1.843 3.323 1.088 0.8259 -0.5313 0.8466 345SOL H116138 1.938 3.332 1.092 0.6221 1.4746 1.9125 345SOL H216139 1.815 3.384 1.019 0.2621 -0.7769 0.8458 346SOL OH216140 4.877 1.448 7.142 -0.0433 -0.8945 0.0713 346SOL H116141 4.806 1.448 7.078 0.4674 0.5582 -0.5504 346SOL H216142 4.885 1.356 7.169 -1.7449 -1.1871 -0.2668 347SOL OH216143 2.109 0.001 1.791 0.0311 0.8915 0.7253 347SOL H116144 2.091 0.094 1.780 -0.1262 0.9352 1.3363 347SOL H216145 2.046 -0.042 1.734 -0.4793 1.1316 1.1019 348SOL OH216146 2.613 3.650 8.258 0.3675 0.3396 -0.1468 348SOL H116147 2.586 3.559 8.264 -2.1154 0.7886 -2.6380 348SOL H216148 2.646 3.671 8.346 0.0364 -2.6193 0.7786 349SOL OH216149 5.888 1.081 7.085 -0.2387 -0.4808 -0.0793 349SOL H116150 5.909 1.048 7.172 -0.1045 1.7293 0.8044 349SOL H216151 5.971 1.078 7.037 0.7098 1.9595 1.2218 350SOL OH216152 0.412 5.035 7.973 0.1743 -0.5266 -0.3551 350SOL H116153 0.434 5.110 7.918 -2.6211 -0.0547 -0.9379 350SOL H216154 0.351 4.983 7.921 -1.7716 -0.6225 1.8238 351SOL OH216155 5.339 5.215 0.638 -0.0130 -0.0633 0.2438 351SOL H116156 5.358 5.286 0.576 -0.9880 -0.1563 -0.1778 351SOL H216157 5.424 5.193 0.676 0.4309 0.7504 -0.2499 352SOL OH216158 4.907 5.175 1.133 0.1808 -0.1080 0.0258 352SOL H116159 4.968 5.241 1.166 -0.7957 -0.1401 2.0196 352SOL H216160 4.934 5.094 1.176 -0.2882 -0.4491 -0.3104 353SOL OH216161 1.188 5.920 0.759 0.0681 -0.6694 -0.5636 353SOL H116162 1.281 5.928 0.738 -0.0170 0.6804 -0.5063 353SOL H216163 1.176 5.976 0.835 -0.7690 -0.9749 -0.4591 354SOL OH216164 0.542 1.063 2.279 -0.2396 0.0165 -0.1699 354SOL H116165 0.612 1.089 2.339 0.6820 0.8598 -1.5579 354SOL H216166 0.493 0.997 2.328 2.1772 -1.4519 0.4554 355SOL OH216167 0.958 5.766 0.988 0.7986 0.2652 0.3707 355SOL H116168 1.027 5.761 0.923 0.0567 -1.0634 -0.3626 355SOL H216169 0.883 5.803 0.941 0.2354 -0.7754 0.4102 356SOL OH216170 5.804 2.646 7.173 0.1997 -0.3849 -0.2086 356SOL H116171 5.824 2.641 7.079 -1.5372 0.5553 -0.6710 356SOL H216172 5.890 2.650 7.215 1.0134 -0.7157 -1.7658 357SOL OH216173 3.901 3.183 1.989 0.7973 0.4109 -0.0226 357SOL H116174 3.867 3.251 2.047 -1.4530 -1.4211 0.9542 357SOL H216175 3.918 3.108 2.046 -0.0543 -0.9648 -1.4962 358SOL OH216176 2.887 6.095 6.550 0.2604 0.0263 -0.0040 358SOL H116177 2.855 6.058 6.468 -0.4921 -0.1005 0.3367 358SOL H216178 2.816 6.080 6.612 0.4297 0.9856 0.4399 359SOL OH216179 2.890 5.288 1.503 -0.5053 -0.2489 -0.4787 359SOL H116180 2.805 5.331 1.508 -0.5880 -0.2362 -1.7857 359SOL H216181 2.952 5.357 1.480 -0.2574 -0.3966 -0.2674 360SOL OH216182 5.328 1.305 7.837 -0.0361 0.1420 -0.2690 360SOL H116183 5.411 1.354 7.837 -0.4266 0.8373 -1.0467 360SOL H216184 5.354 1.214 7.850 0.6925 0.5749 1.5360 361SOL OH216185 1.434 1.687 2.624 -0.3895 0.7318 0.3855 361SOL H116186 1.434 1.759 2.561 2.5810 0.9154 0.4478 361SOL H216187 1.525 1.681 2.654 -0.5335 -2.8940 0.5697 362SOL OH216188 4.243 3.627 2.110 -0.0592 -0.6180 -0.0364 362SOL H116189 4.331 3.596 2.131 -0.1658 0.8514 3.1321 362SOL H216190 4.185 3.557 2.140 -0.0623 -0.3974 0.4734 363SOL OH216191 5.043 2.382 2.747 -0.1993 0.1540 0.6788 363SOL H116192 5.070 2.452 2.806 -0.1301 0.1011 0.7087 363SOL H216193 4.947 2.385 2.749 -0.2824 1.9041 -1.2115 364SOL OH216194 1.028 2.303 0.103 -0.2490 -0.2242 0.3157 364SOL H116195 1.002 2.343 0.186 -1.6237 -0.9119 0.2362 364SOL H216196 1.007 2.369 0.037 -1.0037 -0.4279 0.3410 365SOL OH216197 1.286 1.188 0.615 -0.3391 -0.5206 0.1487 365SOL H116198 1.226 1.164 0.685 -0.1465 -1.5592 -0.0171 365SOL H216199 1.342 1.110 0.604 -0.5545 -0.4916 -1.3465 366SOL OH216200 1.095 3.550 1.658 -0.0051 0.0505 0.1740 366SOL H116201 1.026 3.485 1.670 -0.5682 0.6879 0.4312 366SOL H216202 1.163 3.503 1.609 -1.6881 0.0964 -2.3999 367SOL OH216203 4.576 1.432 8.329 0.1151 0.0444 -0.3791 367SOL H116204 4.627 1.483 8.266 0.5527 -0.4702 -0.4448 367SOL H216205 4.491 1.478 8.333 0.4321 0.6643 -0.5718 368SOL OH216206 5.106 5.570 6.389 0.0116 0.1566 -0.1736 368SOL H116207 5.028 5.514 6.385 -0.4017 0.7898 -2.1355 368SOL H216208 5.149 5.545 6.470 -0.3708 -2.7427 -0.7509 369SOL OH216209 0.830 3.778 6.454 0.3385 -0.2987 -0.3025 369SOL H116210 0.878 3.794 6.536 1.3118 -0.7427 -0.7728 369SOL H216211 0.797 3.864 6.429 -1.1279 -0.3640 1.2414 370SOL OH216212 2.402 1.736 8.378 -0.7257 -0.1786 -0.2900 370SOL H116213 2.444 1.820 8.359 -2.1413 0.4491 -0.8203 370SOL H216214 2.474 1.672 8.379 0.4903 1.1437 0.9819 371SOL OH216215 1.014 2.030 0.259 0.0386 -0.4598 1.0279 371SOL H116216 1.021 2.121 0.229 0.3780 -0.3328 1.4915 371SOL H216217 0.970 1.985 0.187 0.0470 0.0308 0.7112 372SOL OH216218 1.878 5.795 0.739 0.2107 0.1318 0.2854 372SOL H116219 1.814 5.838 0.797 -1.2780 -1.1480 -0.3521 372SOL H216220 1.834 5.716 0.708 0.9790 0.7031 -2.5512 373SOL OH216221 2.018 1.649 0.608 0.0301 -0.0016 0.6908 373SOL H116222 2.004 1.743 0.614 1.7665 0.2897 0.7560 373SOL H216223 2.046 1.634 0.518 1.1215 -0.2304 1.0549 374SOL OH216224 1.841 5.216 2.055 -0.4777 -0.4309 0.7444 374SOL H116225 1.934 5.196 2.067 0.3697 1.4738 -1.7516 374SOL H216226 1.836 5.311 2.057 -1.8293 -0.3385 -2.0132 375SOL OH216227 3.085 0.114 7.414 -0.3105 -0.1869 0.1447 375SOL H116228 3.128 0.200 7.417 -0.4658 -0.0965 -0.1927 375SOL H216229 3.081 0.092 7.321 -0.9826 -0.1957 0.1674 376SOL OH216230 2.921 2.801 0.785 0.5981 -0.0333 0.0507 376SOL H116231 2.919 2.816 0.690 1.9473 -1.3223 -0.2191 376SOL H216232 2.922 2.705 0.794 -0.9369 0.0274 1.4381 377SOL OH216233 3.851 2.403 1.222 0.4167 0.3840 -0.0122 377SOL H116234 3.776 2.377 1.169 0.6696 -0.9591 0.2405 377SOL H216235 3.813 2.435 1.304 0.1049 -0.5434 0.2213 378SOL OH216236 5.012 5.165 0.872 -0.3237 -0.4555 -0.2826 378SOL H116237 5.068 5.089 0.890 -0.8002 -0.6152 0.5849 378SOL H216238 4.962 5.178 0.953 -0.5207 0.5574 -0.5513 379SOL OH216239 4.116 4.387 1.374 -0.0367 0.0283 0.1303 379SOL H116240 4.187 4.372 1.311 -0.6019 -1.3071 -0.2117 379SOL H216241 4.131 4.324 1.443 1.8540 2.8806 2.5903 380SOL OH216242 3.594 5.619 6.523 -0.5366 -0.5498 -0.0118 380SOL H116243 3.542 5.555 6.475 -1.3469 0.7826 -0.9722 380SOL H216244 3.684 5.601 6.496 -0.4387 -2.8002 1.5795 381SOL OH216245 2.451 1.516 2.168 0.0627 -0.0927 0.1674 381SOL H116246 2.443 1.515 2.073 0.0577 -0.1866 0.1683 381SOL H216247 2.537 1.554 2.185 0.6026 -1.2340 0.0838 382SOL OH216248 2.662 2.528 7.160 -0.5026 -0.0900 -0.5139 382SOL H116249 2.681 2.579 7.082 0.1296 0.0384 -0.2776 382SOL H216250 2.587 2.572 7.200 1.8205 2.5783 1.3407 383SOL OH216251 1.050 4.978 8.121 0.1430 -0.0401 0.4063 383SOL H116252 0.977 5.029 8.156 2.1126 2.7144 0.8319 383SOL H216253 1.063 5.012 8.033 1.0177 -0.3811 0.3913 384SOL OH216254 4.852 1.626 0.816 0.5826 0.8043 -0.2608 384SOL H116255 4.936 1.602 0.779 0.4485 0.3295 -0.2638 384SOL H216256 4.806 1.670 0.744 -0.2029 -1.2996 -1.1329 385SOL OH216257 1.877 3.882 0.117 0.2425 0.3491 0.3566 385SOL H116258 1.860 3.789 0.103 0.1681 0.0104 2.4598 385SOL H216259 1.833 3.926 0.044 -1.6750 -1.1154 0.5852 386SOL OH216260 4.208 3.913 1.532 -0.2779 0.0329 0.6719 386SOL H116261 4.271 3.872 1.472 -1.0237 -1.0264 0.5726 386SOL H216262 4.247 3.998 1.554 1.3687 -0.7430 0.9263 387SOL OH216263 4.730 4.864 7.295 -0.3462 -0.4553 0.5358 387SOL H116264 4.799 4.909 7.246 -1.0226 0.2194 0.1785 387SOL H216265 4.765 4.777 7.312 0.4903 -0.2019 0.1378 388SOL OH216266 0.587 2.355 1.729 0.1433 0.3597 0.3582 388SOL H116267 0.606 2.448 1.740 -0.8989 0.5613 0.5731 388SOL H216268 0.653 2.324 1.667 -0.1947 1.4931 -0.5878 389SOL OH216269 0.743 5.388 7.628 0.1886 -0.0602 -0.0921 389SOL H116270 0.837 5.402 7.616 -0.0194 -0.0635 -2.0006 389SOL H216271 0.701 5.451 7.569 -0.9377 -1.8311 -1.2824 390SOL OH216272 3.538 2.201 6.508 -0.4095 0.3308 0.9901 390SOL H116273 3.511 2.133 6.446 -1.1684 -0.2421 1.9126 390SOL H216274 3.599 2.256 6.459 -1.4654 0.2649 -0.4498 391SOL OH216275 1.303 4.258 7.350 -0.5995 -0.1744 -0.2581 391SOL H116276 1.347 4.184 7.392 -2.8616 -1.0720 0.6704 391SOL H216277 1.248 4.295 7.419 -2.5565 -0.1505 -1.7751 392SOL OH216278 3.505 1.017 7.468 0.2780 0.2909 -0.0851 392SOL H116279 3.418 1.046 7.441 0.4527 -0.4049 -1.4932 392SOL H216280 3.539 0.969 7.392 0.8711 -1.6491 1.3193 393SOL OH216281 0.794 4.421 7.144 -0.1489 0.1200 -0.1401 393SOL H116282 0.705 4.453 7.164 -1.0513 -2.5076 0.4600 393SOL H216283 0.851 4.472 7.202 -1.6402 -0.2758 1.7724 394SOL OH216284 4.076 2.701 0.578 0.5540 -0.4772 0.0040 394SOL H116285 4.169 2.683 0.562 0.3633 -0.8667 -0.7435 394SOL H216286 4.064 2.688 0.672 0.9702 -1.7787 -0.1008 395SOL OH216287 4.108 0.415 6.755 -0.3016 -0.6313 0.5829 395SOL H116288 4.153 0.382 6.833 1.0303 -0.7723 -0.2165 395SOL H216289 4.100 0.338 6.698 -1.5597 -0.6041 0.6852 396SOL OH216290 5.048 4.744 8.209 0.2786 0.3137 0.3732 396SOL H116291 5.079 4.658 8.183 -0.0988 0.3003 -0.0581 396SOL H216292 4.960 4.729 8.244 -1.1306 0.8582 -2.6289 397SOL OH216293 5.213 0.063 1.534 -0.0864 -0.0983 0.1555 397SOL H116294 5.145 0.122 1.569 -0.0804 0.6573 -1.0463 397SOL H216295 5.164 -0.014 1.505 -0.0458 -0.9521 2.1548 398SOL OH216296 2.507 4.660 0.110 0.3018 0.0217 -0.1723 398SOL H116297 2.524 4.748 0.144 -0.1534 0.2011 -0.3984 398SOL H216298 2.572 4.649 0.040 1.5652 -0.5388 1.0438 399SOL OH216299 2.761 5.759 0.317 -0.2414 -0.0982 0.8007 399SOL H116300 2.711 5.796 0.390 0.6554 -2.0698 2.5224 399SOL H216301 2.853 5.767 0.344 0.1473 -0.3894 -0.3647 400SOL OH216302 3.396 5.382 7.758 0.1977 -0.5618 0.1275 400SOL H116303 3.441 5.404 7.839 0.8696 0.8467 -0.5982 400SOL H216304 3.327 5.321 7.785 -0.9513 1.4630 2.1152 401SOL OH216305 3.032 6.034 1.903 0.2052 -0.2203 0.9313 401SOL H116306 3.108 6.053 1.958 0.2185 -0.4313 0.9872 401SOL H216307 2.987 6.118 1.893 0.4930 -0.0798 0.8278 402SOL OH216308 0.768 3.530 2.785 -0.1001 0.3690 -0.1101 402SOL H116309 0.707 3.587 2.737 -0.1001 -0.1866 -0.7868 402SOL H216310 0.771 3.450 2.734 1.5719 0.5542 -0.3615 403SOL OH216311 4.104 4.633 1.804 0.3426 0.6427 0.0944 403SOL H116312 4.060 4.686 1.737 -0.9076 0.5185 0.7770 403SOL H216313 4.149 4.697 1.859 -2.9527 1.3593 2.2393 404SOL OH216314 5.503 1.840 7.628 -0.2457 -0.6361 0.6021 404SOL H116315 5.584 1.801 7.662 -0.2848 0.1388 1.6288 404SOL H216316 5.466 1.773 7.571 -0.1334 -1.9503 2.0284 405SOL OH216317 1.790 2.768 8.193 -0.2153 0.1341 0.8002 405SOL H116318 1.717 2.716 8.159 -0.3549 -0.6482 2.2535 405SOL H216319 1.752 2.817 8.266 0.2023 1.4275 0.1932 406SOL OH216320 2.919 0.585 1.081 -0.2108 0.1914 0.4005 406SOL H116321 2.868 0.615 1.156 -2.1295 -0.7647 -0.4567 406SOL H216322 2.865 0.517 1.040 3.2744 -3.6165 1.4645 407SOL OH216323 4.415 3.730 1.857 0.3939 0.0505 -0.5601 407SOL H116324 4.426 3.714 1.951 -0.3298 -1.2407 -0.6762 407SOL H216325 4.326 3.762 1.848 0.1726 -0.6391 -0.8916 408SOL OH216326 0.445 5.328 1.912 0.0862 0.4379 0.4074 408SOL H116327 0.538 5.318 1.895 0.5656 -0.2815 2.9324 408SOL H216328 0.421 5.411 1.871 1.4747 -0.0665 -1.5280 409SOL OH216329 0.986 3.036 2.069 -0.1483 -0.0348 0.2952 409SOL H116330 0.993 2.951 2.112 0.0405 -0.7723 -1.1156 409SOL H216331 0.894 3.059 2.074 0.1093 0.6972 2.5007 410SOL OH216332 3.175 2.663 0.577 -0.1489 -0.2338 -0.0986 410SOL H116333 3.245 2.599 0.562 -0.0693 -0.5732 1.4819 410SOL H216334 3.221 2.747 0.581 -0.1277 -0.1833 -1.2284 411SOL OH216335 3.231 1.855 6.201 -0.4125 0.2839 0.3370 411SOL H116336 3.204 1.805 6.124 2.0461 0.2882 -0.6122 411SOL H216337 3.213 1.797 6.275 -0.3384 -0.8255 -0.4838 412SOL OH216338 5.890 3.591 1.600 -0.2032 0.4796 0.6452 412SOL H116339 5.950 3.536 1.650 0.9085 1.3296 0.2646 412SOL H216340 5.875 3.543 1.519 1.1012 0.8964 0.1304 413SOL OH216341 2.887 5.663 6.079 -0.6185 -0.2081 0.9308 413SOL H116342 2.812 5.664 6.138 -0.1822 -2.0984 1.5950 413SOL H216343 2.897 5.571 6.054 1.4720 -0.0251 0.8920 414SOL OH216344 4.038 5.584 7.464 -0.0241 0.1567 0.4385 414SOL H116345 4.031 5.535 7.546 -0.5628 -0.2566 0.1490 414SOL H216346 3.948 5.604 7.440 0.1966 1.5269 0.6848 415SOL OH216347 4.644 0.902 2.215 0.3039 -0.4717 -0.5817 415SOL H116348 4.612 0.991 2.226 2.0936 0.2288 -0.6505 415SOL H216349 4.718 0.895 2.276 0.1921 -1.9054 -0.5788 416SOL OH216350 3.256 4.503 1.100 -0.2142 0.0584 0.2681 416SOL H116351 3.241 4.592 1.070 -1.0604 -0.1305 0.1028 416SOL H216352 3.260 4.450 1.020 -0.6323 -0.1761 0.3960 417SOL OH216353 1.631 1.787 1.480 0.3413 -0.7182 0.0401 417SOL H116354 1.659 1.722 1.416 -0.6183 1.3318 -2.6605 417SOL H216355 1.536 1.780 1.482 0.2945 -0.0872 0.4966 418SOL OH216356 2.728 0.266 1.652 -0.2698 -0.6136 0.2083 418SOL H116357 2.643 0.253 1.694 -1.3202 1.0124 -1.2706 418SOL H216358 2.735 0.193 1.591 -0.3590 -1.0335 0.6916 419SOL OH216359 1.046 3.248 6.590 0.1850 0.1204 -0.0227 419SOL H116360 1.066 3.235 6.497 0.5482 1.5124 -0.1633 419SOL H216361 1.122 3.294 6.624 0.0621 -0.4016 0.9931 420SOL OH216362 5.096 5.024 8.161 -0.4715 0.0906 -0.4892 420SOL H116363 5.058 5.071 8.235 1.0817 0.1599 0.2921 420SOL H216364 5.073 4.932 8.176 -0.4597 0.1489 -0.1239 421SOL OH216365 0.333 0.283 8.164 -0.4962 0.2044 -0.1884 421SOL H116366 0.258 0.342 8.155 0.8108 2.6308 2.7861 421SOL H216367 0.303 0.214 8.224 -1.0460 -0.2410 -0.9677 422SOL OH216368 2.621 5.491 1.503 -0.6346 -0.1967 0.4548 422SOL H116369 2.562 5.447 1.564 -1.9709 1.2840 0.2790 422SOL H216370 2.648 5.570 1.549 -0.9617 0.4978 -0.5279 423SOL OH216371 2.578 3.786 6.723 0.2758 -0.3738 -0.0834 423SOL H116372 2.582 3.759 6.631 3.5187 0.2657 -0.2696 423SOL H216373 2.669 3.783 6.752 -0.5054 0.6416 2.7785 424SOL OH216374 5.750 0.674 0.045 0.4103 -0.3710 0.1357 424SOL H116375 5.775 0.600 0.100 0.4047 0.1849 0.9082 424SOL H216376 5.819 0.739 0.060 -0.1123 0.1638 0.2391 425SOL OH216377 3.049 2.274 1.938 -0.3395 -0.1597 0.2318 425SOL H116378 3.013 2.356 1.904 -1.0242 -0.7774 -0.5690 425SOL H216379 3.122 2.302 1.994 0.5451 0.9343 -1.3511 426SOL OH216380 4.283 2.207 7.131 0.9390 -0.4429 0.1019 426SOL H116381 4.266 2.131 7.075 0.4471 0.3266 -0.8471 426SOL H216382 4.227 2.276 7.094 2.3280 0.7442 0.1168 427SOL OH216383 4.816 4.206 2.036 0.4900 0.0647 1.4782 427SOL H116384 4.725 4.181 2.021 1.4781 -1.6331 -3.2743 427SOL H216385 4.822 4.296 2.005 0.5852 -0.0706 1.1056 428SOL OH216386 2.393 2.928 7.584 0.4069 0.5746 -0.5276 428SOL H116387 2.484 2.957 7.572 0.4650 0.0765 -1.4015 428SOL H216388 2.374 2.946 7.676 2.0053 -0.9895 0.1644 429SOL OH216389 1.537 2.475 1.905 -0.2334 0.7354 0.3627 429SOL H116390 1.617 2.431 1.876 -0.7114 -0.4676 0.8134 429SOL H216391 1.540 2.560 1.861 0.9898 0.4796 -0.1009 430SOL OH216392 2.056 3.456 0.064 -0.1329 -0.7376 0.3145 430SOL H116393 2.138 3.420 0.095 -0.2277 -1.4435 -0.2382 430SOL H216394 2.028 3.397 -0.006 0.9460 1.6762 -2.3685 431SOL OH216395 4.538 5.291 1.143 -0.6429 0.3532 -0.2795 431SOL H116396 4.588 5.248 1.073 -1.9038 1.0865 -1.6681 431SOL H216397 4.561 5.383 1.136 0.3330 0.2695 1.2568 432SOL OH216398 2.660 1.109 7.519 -0.0762 0.1169 -0.6702 432SOL H116399 2.591 1.136 7.580 0.7868 0.7699 0.0374 432SOL H216400 2.728 1.176 7.528 0.8687 -0.7711 -0.9966 433SOL OH216401 4.861 3.637 6.529 0.3573 0.0994 -0.5081 433SOL H116402 4.793 3.577 6.499 1.9635 -1.4885 -1.1302 433SOL H216403 4.887 3.686 6.451 0.1624 0.4921 -0.3330 434SOL OH216404 5.463 3.988 6.853 0.3872 0.5364 -0.7355 434SOL H116405 5.400 3.959 6.919 1.5785 -1.3111 -0.3561 434SOL H216406 5.497 4.071 6.889 1.2513 -0.5798 1.1995 435SOL OH216407 3.456 1.902 2.068 -0.3857 -0.3814 -0.4286 435SOL H116408 3.539 1.946 2.048 -0.0244 -1.1991 -0.7430 435SOL H216409 3.391 1.949 2.015 0.0502 -0.4246 -1.0064 436SOL OH216410 5.761 1.786 1.136 0.0277 0.3501 0.2500 436SOL H116411 5.759 1.692 1.151 -2.0221 0.3875 0.3979 436SOL H216412 5.780 1.824 1.221 2.0995 0.0752 -0.0320 437SOL OH216413 0.579 3.269 1.537 0.4438 0.5024 0.0232 437SOL H116414 0.555 3.341 1.479 1.4200 0.6330 -0.2397 437SOL H216415 0.573 3.306 1.625 -1.8301 0.0780 0.1045 438SOL OH216416 5.517 4.803 8.225 0.3426 -0.0842 -0.3792 438SOL H116417 5.483 4.719 8.194 -1.4990 0.2008 0.7253 438SOL H216418 5.443 4.863 8.218 0.9691 0.8855 0.9621 439SOL OH216419 0.388 0.437 1.212 -0.1332 0.1770 -0.2769 439SOL H116420 0.470 0.393 1.237 0.5168 0.6286 -1.5105 439SOL H216421 0.335 0.368 1.171 -1.2322 -0.5843 2.2172 440SOL OH216422 5.841 4.791 0.146 -0.5050 -0.1894 0.3114 440SOL H116423 5.808 4.758 0.062 -0.9475 -1.6211 1.0278 440SOL H216424 5.835 4.886 0.137 -2.8079 -0.3287 -0.4106 441SOL OH216425 5.009 1.422 6.754 -0.4751 -0.1155 -0.2667 441SOL H116426 4.997 1.514 6.728 2.7501 0.5606 0.2161 441SOL H216427 5.005 1.424 6.850 -0.5405 -0.5077 -0.2621 442SOL OH216428 2.229 2.951 1.262 -0.0822 -0.1794 -0.0075 442SOL H116429 2.317 2.930 1.229 -0.0094 1.2357 -0.7666 442SOL H216430 2.183 2.988 1.187 -0.7754 0.6780 0.8164 443SOL OH216431 4.911 2.703 8.118 0.2159 0.2648 0.3765 443SOL H116432 4.818 2.712 8.142 -0.4033 0.5025 -1.8549 443SOL H216433 4.921 2.758 8.041 2.7343 1.7885 1.6552 444SOL OH216434 0.285 1.380 8.368 0.2165 -0.0097 -0.9362 444SOL H116435 0.354 1.328 8.408 -1.4063 -1.4606 0.0988 444SOL H216436 0.310 1.386 8.276 0.6673 -2.3550 -1.0327 445SOL OH216437 4.021 0.796 6.665 0.3457 0.4426 0.0800 445SOL H116438 4.113 0.771 6.676 0.1607 -0.4019 -0.2011 445SOL H216439 4.024 0.882 6.623 1.0124 0.1401 -0.5144 446SOL OH216440 3.682 2.670 6.706 0.0917 -0.1371 0.0040 446SOL H116441 3.731 2.618 6.642 -0.7877 0.4178 -1.1695 446SOL H216442 3.600 2.691 6.661 -0.4634 0.4621 1.2511 447SOL OH216443 3.149 3.915 7.619 -0.5523 -0.2088 -0.7216 447SOL H116444 3.132 3.884 7.708 -2.5812 -0.5348 -1.1863 447SOL H216445 3.218 3.857 7.586 0.4450 0.1172 0.7106 448SOL OH216446 2.508 1.976 1.394 -0.3560 -0.2109 -0.2101 448SOL H116447 2.501 1.938 1.307 0.4352 0.9438 -0.7976 448SOL H216448 2.437 2.040 1.398 0.2657 0.5051 -0.4238 449SOL OH216449 2.827 0.441 7.431 0.0968 -0.1042 -0.8137 449SOL H116450 2.878 0.447 7.512 0.8274 2.2085 -1.3428 449SOL H216451 2.880 0.489 7.367 -1.9777 0.9683 -1.8103 450SOL OH216452 3.113 2.032 1.813 -0.1166 -0.0994 -0.0915 450SOL H116453 3.084 2.109 1.863 -1.4374 0.5673 -1.7959 450SOL H216454 3.195 2.060 1.772 -2.0734 1.6918 -3.2314 451SOL OH216455 4.418 3.521 7.248 -0.0743 0.0765 0.1078 451SOL H116456 4.467 3.603 7.255 -0.0384 0.0365 0.3244 451SOL H216457 4.331 3.542 7.281 -0.0058 -0.0221 0.3613 452SOL OH216458 2.842 1.942 5.805 0.1906 -0.1481 -0.1380 452SOL H116459 2.820 2.009 5.740 0.5368 0.1887 0.0826 452SOL H216460 2.808 1.861 5.768 -1.2092 0.3062 0.0944 453SOL OH216461 0.646 1.260 1.683 0.0028 -0.2416 -0.4023 453SOL H116462 0.630 1.187 1.744 -3.5352 -0.0925 -0.9321 453SOL H216463 0.679 1.217 1.604 2.5129 -0.6599 0.7643 454SOL OH216464 3.572 5.212 0.965 0.0992 -0.0131 0.1329 454SOL H116465 3.524 5.145 1.014 0.2246 0.4703 0.9242 454SOL H216466 3.658 5.173 0.951 -0.0002 -0.2320 0.1161 455SOL OH216467 0.405 5.075 0.096 0.1811 -0.2576 0.1659 455SOL H116468 0.431 4.984 0.113 1.9668 -0.2169 -1.9060 455SOL H216469 0.351 5.070 0.017 2.1836 0.6283 -1.3470 456SOL OH216470 0.040 4.840 6.804 -0.2713 -0.2170 -0.9794 456SOL H116471 0.111 4.881 6.853 -1.1101 0.4035 -0.2495 456SOL H216472 0.069 4.842 6.713 0.3443 0.6778 -0.7712 457SOL OH216473 0.172 3.339 5.905 -0.0375 0.2386 -0.3664 457SOL H116474 0.164 3.262 5.848 1.3924 0.7634 -1.3435 457SOL H216475 0.263 3.366 5.895 -0.5750 2.2415 -0.2963 458SOL OH216476 3.317 4.060 0.339 0.3446 0.5424 0.2822 458SOL H116477 3.229 4.092 0.318 -0.4792 -1.8539 -0.1843 458SOL H216478 3.365 4.138 0.367 -1.8845 1.9227 0.4496 459SOL OH216479 1.819 1.047 1.598 -0.1668 -0.0433 0.2920 459SOL H116480 1.744 1.035 1.540 0.6457 0.4291 -0.9139 459SOL H216481 1.792 1.117 1.657 -0.8051 -0.1168 0.1014 460SOL OH216482 1.410 5.365 8.123 -0.2558 -0.0785 1.0537 460SOL H116483 1.351 5.313 8.069 0.9475 -1.4422 0.9785 460SOL H216484 1.464 5.300 8.169 1.0096 1.0973 1.3003 461SOL OH216485 2.320 0.656 8.151 0.1644 0.1740 -0.0619 461SOL H116486 2.306 0.572 8.108 0.6464 -0.6551 1.3257 461SOL H216487 2.243 0.668 8.207 0.8110 -0.1236 0.9238 462SOL OH216488 3.930 4.987 8.401 0.3407 0.5406 -0.1884 462SOL H116489 3.919 4.942 8.318 0.0183 0.5324 -0.1411 462SOL H216490 4.003 5.048 8.386 0.9066 -0.1254 -0.1958 463SOL OH216491 2.640 2.201 0.383 0.6165 -0.4891 0.2391 463SOL H116492 2.679 2.289 0.382 -0.9405 0.2997 2.2789 463SOL H216493 2.547 2.216 0.394 -0.1233 -2.3977 -2.2817 464SOL OH216494 3.190 1.237 7.085 -0.0118 0.5200 -0.4026 464SOL H116495 3.150 1.201 7.006 0.7613 0.2765 -0.6983 464SOL H216496 3.124 1.224 7.154 -0.0946 -0.7013 -0.6810 465SOL OH216497 2.046 2.949 1.027 -0.3581 -0.3298 -0.1737 465SOL H116498 1.985 2.880 1.055 -0.8598 -1.3696 -3.4299 465SOL H216499 1.999 2.997 0.959 1.4515 0.6479 -0.8010 466SOL OH216500 4.378 1.049 0.602 0.2933 0.0820 0.4312 466SOL H116501 4.297 1.039 0.552 0.4844 2.9630 -0.6636 466SOL H216502 4.349 1.058 0.693 -0.5423 0.2269 0.1598 467SOL OH216503 3.791 1.446 2.056 -0.2239 -0.6574 0.2841 467SOL H116504 3.813 1.521 2.112 -0.9810 -0.3343 0.1670 467SOL H216505 3.833 1.465 1.972 -1.7984 0.4973 -0.2923 468SOL OH216506 3.837 1.789 1.931 0.0668 -0.4060 -0.2674 468SOL H116507 3.847 1.758 2.021 -2.0002 0.3773 0.2785 468SOL H216508 3.765 1.737 1.896 1.0122 -0.8905 -1.6112 469SOL OH216509 1.387 3.300 1.750 -0.3457 0.2134 0.4844 469SOL H116510 1.345 3.305 1.664 0.9051 0.5819 -0.1279 469SOL H216511 1.346 3.225 1.793 0.2213 -1.0543 -1.1185 470SOL OH216512 3.522 3.212 1.352 -0.2018 0.2034 -0.6665 470SOL H116513 3.578 3.237 1.279 1.8236 0.3750 0.8562 470SOL H216514 3.581 3.168 1.414 -2.0675 -0.9910 0.3708 471SOL OH216515 3.375 1.119 2.010 0.3894 0.1966 -0.3795 471SOL H116516 3.413 1.052 1.953 1.3743 -0.4920 1.0330 471SOL H216517 3.435 1.193 2.003 0.4848 0.1297 -0.2658 472SOL OH216518 3.840 1.617 7.505 -0.0617 -0.0688 -0.1503 472SOL H116519 3.851 1.683 7.436 2.1233 -0.8421 -0.6247 472SOL H216520 3.757 1.575 7.485 -0.9501 1.7358 -0.5087 473SOL OH216521 2.482 2.636 8.265 -0.1647 -0.4544 0.2922 473SOL H116522 2.570 2.600 8.255 -0.1474 -0.9517 1.9580 473SOL H216523 2.490 2.701 8.335 -0.8001 0.7401 -0.6897 474SOL OH216524 0.877 3.934 1.723 -0.2781 -0.2129 -0.7700 474SOL H116525 0.867 3.859 1.781 0.1350 -1.1957 -1.9159 474SOL H216526 0.788 3.953 1.692 -0.1286 -1.7931 -2.3173 475SOL OH216527 4.718 4.393 0.059 -0.2444 -0.5277 -0.1580 475SOL H116528 4.757 4.390 0.147 0.4641 0.7099 -0.4097 475SOL H216529 4.655 4.321 0.059 -1.3272 0.3282 1.8694 476SOL OH216530 0.712 4.007 0.958 0.3320 0.3300 0.1078 476SOL H116531 0.763 4.019 1.038 0.6203 -0.0967 -0.0104 476SOL H216532 0.716 3.913 0.940 -0.2108 0.3392 -0.0935 477SOL OH216533 3.837 5.997 0.389 0.2362 0.9540 -0.4269 477SOL H116534 3.896 5.959 0.324 -0.2201 -1.7254 0.5986 477SOL H216535 3.891 6.059 0.437 2.1968 -1.1640 0.2596 478SOL OH216536 5.761 4.399 7.066 -0.1855 0.5222 0.1229 478SOL H116537 5.796 4.416 7.153 -0.2357 2.5858 -0.1952 478SOL H216538 5.819 4.449 7.008 0.3285 -1.4408 -1.1342 479SOL OH216539 2.360 0.490 2.370 -0.2609 0.1817 0.2183 479SOL H116540 2.366 0.421 2.304 3.4818 -0.1129 0.6773 479SOL H216541 2.388 0.569 2.325 -0.8737 0.6582 0.6513 480SOL OH216542 4.977 2.023 1.680 0.0557 0.1382 -0.6502 480SOL H116543 4.911 2.090 1.663 1.5860 1.6250 -0.9427 480SOL H216544 4.973 2.009 1.775 0.3154 1.3180 -0.4493 481SOL OH216545 3.566 0.483 6.790 1.0394 0.3129 0.2001 481SOL H116546 3.591 0.391 6.779 0.9522 0.3548 -0.3607 481SOL H216547 3.643 0.532 6.761 1.2155 0.4178 0.8274 482SOL OH216548 2.067 1.109 7.704 -0.0447 0.0530 0.1168 482SOL H116549 2.086 1.095 7.797 -2.4744 -0.5476 0.5907 482SOL H216550 2.121 1.184 7.679 1.3931 -0.3896 1.7348 483SOL OH216551 2.858 2.666 7.624 -0.5091 0.0235 0.6829 483SOL H116552 2.788 2.726 7.597 -1.1195 0.2317 2.5872 483SOL H216553 2.911 2.655 7.545 -2.0112 0.7954 -0.5001 484SOL OH216554 1.874 1.563 1.324 -0.7788 0.0652 0.0580 484SOL H116555 1.969 1.559 1.334 -0.6265 3.6191 1.4921 484SOL H216556 1.858 1.540 1.232 1.7063 1.1625 -0.7330 485SOL OH216557 1.816 6.020 7.792 -0.4241 0.4282 0.5476 485SOL H116558 1.785 6.093 7.845 1.0647 0.2765 1.7050 485SOL H216559 1.782 5.942 7.835 1.2062 0.2779 1.6489 486SOL OH216560 2.064 4.515 7.387 0.8320 0.0586 0.6069 486SOL H116561 2.061 4.608 7.366 0.0253 -0.6223 -2.9931 486SOL H216562 2.156 4.490 7.374 0.5757 -0.0917 -1.1357 487SOL OH216563 1.033 2.501 8.072 -0.5766 -0.3956 -0.5577 487SOL H116564 0.958 2.511 8.014 -0.0463 0.6089 -1.0954 487SOL H216565 1.091 2.573 8.049 0.5009 -1.0792 -0.0655 488SOL OH216566 0.619 1.436 0.106 0.2087 0.5484 0.3681 488SOL H116567 0.564 1.396 0.174 -1.0132 1.2546 -0.1868 488SOL H216568 0.613 1.376 0.032 0.5201 0.4327 0.4310 489SOL OH216569 0.852 1.002 7.387 0.2037 -0.4420 0.0935 489SOL H116570 0.806 1.083 7.412 -1.7553 -1.2414 -0.7517 489SOL H216571 0.943 1.029 7.379 -0.1904 1.4028 1.0876 490SOL OH216572 1.272 4.254 6.876 -0.1285 -0.3501 -0.0722 490SOL H116573 1.315 4.326 6.829 0.2214 -0.6751 -0.2486 490SOL H216574 1.309 4.258 6.964 -1.7979 1.1415 0.6246 491SOL OH216575 5.009 1.910 6.532 0.6284 0.5767 -0.0435 491SOL H116576 4.938 1.944 6.479 -0.8006 -1.3617 0.5146 491SOL H216577 4.985 1.819 6.549 4.0017 -0.7030 -1.1535 492SOL OH216578 1.404 3.576 1.862 -0.1406 0.3415 -0.2212 492SOL H116579 1.397 3.486 1.829 2.3541 0.0415 -0.1211 492SOL H216580 1.352 3.576 1.943 -5.6121 0.8241 -3.2350 493SOL OH216581 3.521 0.247 7.304 0.1531 0.3226 -0.3659 493SOL H116582 3.482 0.286 7.225 -0.4744 -0.3602 -0.4105 493SOL H216583 3.524 0.319 7.367 2.3861 1.3738 -1.5583 494SOL OH216584 0.044 2.259 0.707 0.2429 -0.3213 -0.2783 494SOL H116585 0.035 2.260 0.802 -1.7061 -0.4555 -0.4309 494SOL H216586 0.037 2.351 0.681 2.9268 0.0038 -0.1913 495SOL OH216587 0.422 4.310 7.837 0.3064 0.0655 0.4111 495SOL H116588 0.478 4.251 7.887 -0.2664 0.5799 1.7266 495SOL H216589 0.376 4.361 7.904 -1.7741 -0.3731 -0.5963 496SOL OH216590 0.670 5.586 7.425 0.5899 0.5091 0.1553 496SOL H116591 0.617 5.663 7.444 -1.3101 -0.7539 0.2245 496SOL H216592 0.646 5.561 7.336 -1.1931 -1.7280 1.1556 497SOL OH216593 3.090 2.005 1.025 -0.5665 0.1555 0.0906 497SOL H116594 3.151 2.061 1.074 0.9473 -0.7395 -0.6866 497SOL H216595 3.013 1.998 1.082 0.2756 0.8544 1.3716 498SOL OH216596 3.816 5.260 7.285 0.6753 -0.3965 -0.3515 498SOL H116597 3.833 5.302 7.201 0.1280 -1.9322 -1.2755 498SOL H216598 3.722 5.239 7.283 1.0509 -2.2331 -0.2434 499SOL OH216599 3.681 0.315 0.564 0.1421 0.1054 -0.1114 499SOL H116600 3.617 0.349 0.626 -0.5164 0.3476 -0.9062 499SOL H216601 3.661 0.222 0.558 -0.1316 0.1757 -0.3399 500SOL OH216602 5.994 0.539 8.409 0.0641 -0.0384 -0.3645 500SOL H116603 5.974 0.624 8.446 0.8709 -0.0457 0.1030 500SOL H216604 5.919 0.484 8.434 1.1891 -0.4157 2.5052 501SOL OH216605 3.859 2.056 6.175 0.4689 -0.2903 0.3460 501SOL H116606 3.939 2.069 6.124 -0.3215 -0.3514 -0.9485 501SOL H216607 3.838 1.963 6.164 -0.5108 0.0083 -0.4747 502SOL OH216608 3.819 1.942 6.523 0.0778 -0.0452 0.4359 502SOL H116609 3.852 1.862 6.481 -1.5629 -0.2350 -0.5742 502SOL H216610 3.726 1.925 6.536 -0.3904 1.8662 -0.1794 503SOL OH216611 3.497 5.762 6.751 -0.5242 -0.7230 -0.5584 503SOL H116612 3.521 5.726 6.837 2.6126 0.4675 -0.8108 503SOL H216613 3.541 5.706 6.688 0.9317 0.9903 -1.1367 504SOL OH216614 0.478 1.160 2.011 -0.0402 0.2468 -0.3377 504SOL H116615 0.403 1.101 2.010 -0.6497 1.0019 -1.5239 504SOL H216616 0.526 1.138 2.091 -1.3604 -0.4476 0.2783 505SOL OH216617 3.988 4.206 8.434 -0.8037 0.1838 -0.2075 505SOL H116618 3.912 4.182 8.487 0.7536 -2.5051 1.0785 505SOL H216619 4.044 4.255 8.493 -1.3749 1.9852 -1.0917 506SOL OH216620 1.410 1.217 7.445 0.0142 0.1374 -0.4875 506SOL H116621 1.445 1.190 7.360 -0.8725 0.6753 -1.0380 506SOL H216622 1.434 1.310 7.453 -2.9122 1.1439 -1.8173 507SOL OH216623 5.052 1.339 0.829 0.2294 0.3861 0.0995 507SOL H116624 5.079 1.430 0.819 -0.5083 0.6127 0.1571 507SOL H216625 5.076 1.298 0.746 2.2404 0.1870 0.7292 508SOL OH216626 4.819 4.679 7.638 0.1980 0.4153 -0.0796 508SOL H116627 4.807 4.706 7.729 1.4177 -0.0564 0.2411 508SOL H216628 4.860 4.755 7.596 -1.3294 1.0292 -0.5163 509SOL OH216629 2.428 3.735 7.140 0.4470 -0.3224 0.3770 509SOL H116630 2.424 3.829 7.122 0.0310 -0.5445 -0.7485 509SOL H216631 2.471 3.697 7.064 0.7621 -1.0332 0.8950 510SOL OH216632 1.276 5.933 0.194 -0.3291 -0.2375 -0.4680 510SOL H116633 1.317 5.856 0.155 -0.3911 -0.8683 0.6700 510SOL H216634 1.288 5.921 0.288 1.6879 2.2679 -0.3010 511SOL OH216635 5.982 2.105 0.406 0.1391 0.3123 -0.0042 511SOL H116636 5.954 2.144 0.323 -1.9008 -0.7433 0.1046 511SOL H216637 5.911 2.127 0.467 0.9408 -0.0895 1.1049 512SOL OH216638 1.895 3.166 7.995 0.3988 -0.2754 0.4384 512SOL H116639 1.885 3.184 8.088 -0.5972 0.6234 0.1766 512SOL H216640 1.858 3.078 7.984 -1.1869 0.3316 0.6200 513SOL OH216641 1.633 2.876 0.525 0.5317 0.1903 0.1515 513SOL H116642 1.620 2.876 0.620 0.1325 0.4091 0.0977 513SOL H216643 1.699 2.809 0.510 1.4490 0.9426 0.6976 514SOL OH216644 4.102 5.727 6.828 -0.0003 -0.2147 -0.2163 514SOL H116645 4.108 5.668 6.902 -3.0287 -0.2242 0.1509 514SOL H216646 4.009 5.727 6.805 0.4680 1.6520 -2.4798 515SOL OH216647 3.116 5.367 1.246 0.0825 0.1788 0.3046 515SOL H116648 3.093 5.433 1.311 0.1238 1.4866 -0.9514 515SOL H216649 3.037 5.354 1.194 -0.1924 -1.4520 1.0824 516SOL OH216650 5.538 1.634 7.903 0.3844 -0.1935 0.1588 516SOL H116651 5.564 1.542 7.911 -0.4683 -0.4668 -0.1941 516SOL H216652 5.592 1.668 7.832 0.4143 -0.5183 0.0251 517SOL OH216653 4.283 1.369 7.477 0.3237 0.1970 -0.5158 517SOL H116654 4.269 1.441 7.415 1.4372 0.8841 -0.0165 517SOL H216655 4.199 1.361 7.523 -0.0236 0.7367 -1.0346 518SOL OH216656 0.661 1.538 8.117 -0.0007 -0.0422 -0.0506 518SOL H116657 0.645 1.488 8.197 0.6923 -0.0329 0.1018 518SOL H216658 0.736 1.594 8.138 0.9585 -0.8941 -1.0722 519SOL OH216659 0.817 4.031 1.197 0.0602 -0.0394 0.2063 519SOL H116660 0.877 4.027 1.271 1.0633 -0.3144 -0.6005 519SOL H216661 0.802 4.125 1.183 2.2482 0.1969 -1.0707 520SOL OH216662 4.656 3.569 1.593 0.4428 -0.0113 -0.2321 520SOL H116663 4.669 3.607 1.506 -1.9478 -1.4582 -1.3143 520SOL H216664 4.561 3.565 1.603 0.5889 1.7311 3.2330 521SOL OH216665 5.450 5.560 6.793 0.2041 -0.3625 -0.7859 521SOL H116666 5.475 5.504 6.720 -1.9739 -1.4720 -0.7648 521SOL H216667 5.511 5.633 6.790 0.8869 -0.9688 -3.0004 522SOL OH216668 2.264 5.183 2.288 0.4681 0.3470 -1.0673 522SOL H116669 2.357 5.204 2.296 0.6595 -0.7925 0.0276 522SOL H216670 2.219 5.264 2.313 1.1721 0.2725 0.5929 523SOL OH216671 3.889 1.839 1.073 -0.0270 0.0529 0.3296 523SOL H116672 3.978 1.862 1.045 0.5640 0.0988 2.1283 523SOL H216673 3.902 1.784 1.150 -1.5196 -2.2336 -0.9169 524SOL OH216674 2.173 5.836 6.712 0.1156 -0.5960 -0.0581 524SOL H116675 2.167 5.888 6.633 -1.3973 0.0680 0.4568 524SOL H216676 2.265 5.809 6.717 0.5827 0.7203 -1.1519 525SOL OH216677 4.925 1.458 7.633 -0.4655 -0.2853 0.3035 525SOL H116678 4.920 1.518 7.559 -3.4906 0.8815 1.2907 525SOL H216679 4.849 1.481 7.687 0.1778 -2.7900 2.4541 526SOL OH216680 5.922 4.709 7.655 -0.0499 0.9451 -0.0949 526SOL H116681 5.827 4.706 7.668 -0.1192 1.1960 -0.4895 526SOL H216682 5.936 4.789 7.603 0.2429 0.2972 -1.0519 527SOL OH216683 2.652 1.596 8.398 0.0141 -0.3666 0.2816 527SOL H116684 2.688 1.516 8.436 1.5743 1.3696 2.7977 527SOL H216685 2.692 1.601 8.310 0.3778 -1.9985 0.3190 528SOL OH216686 0.216 1.052 7.046 0.0557 0.4003 -0.1087 528SOL H116687 0.302 1.017 7.068 -0.2825 0.1749 0.9544 528SOL H216688 0.173 1.065 7.131 -1.5855 -1.1162 -0.6340 529SOL OH216689 4.918 3.584 8.328 0.1701 0.0435 0.1678 529SOL H116690 4.836 3.600 8.375 -0.0621 -0.7527 0.0403 529SOL H216691 4.902 3.616 8.239 0.0091 -0.0870 0.1504 530SOL OH216692 4.948 1.210 7.750 0.5551 0.2156 0.5653 530SOL H116693 4.889 1.149 7.705 2.2266 -0.6040 -0.6399 530SOL H216694 4.921 1.297 7.718 -0.0840 -0.1233 0.1612 531SOL OH216695 5.810 4.968 7.282 0.5844 -0.1880 0.4655 531SOL H116696 5.833 4.875 7.287 0.5104 -0.2411 -0.1742 531SOL H216697 5.860 5.002 7.208 -0.6878 -0.1023 -0.3734 532SOL OH216698 3.405 2.047 0.873 0.4010 0.2754 -0.6900 532SOL H116699 3.351 2.092 0.808 0.7595 -0.8318 -1.8039 532SOL H216700 3.402 2.103 0.950 -2.8519 -0.0435 -0.4573 533SOL OH216701 2.163 3.430 8.141 0.5504 -0.4912 -0.6593 533SOL H116702 2.147 3.414 8.048 1.9499 0.6518 -1.1229 533SOL H216703 2.257 3.414 8.152 0.3100 -1.0781 0.6676 534SOL OH216704 1.924 4.950 7.397 -0.5051 0.1932 -0.2280 534SOL H116705 1.980 5.027 7.386 0.4660 -0.5725 -0.8749 534SOL H216706 1.853 4.979 7.454 0.4910 1.2467 0.5136 535SOL OH216707 3.946 4.453 8.295 -0.1738 0.4009 0.1893 535SOL H116708 3.964 4.362 8.320 -1.8235 -0.2965 -0.9493 535SOL H216709 4.019 4.503 8.332 -0.4150 -1.0405 2.8641 536SOL OH216710 1.923 5.190 7.598 -0.3525 -0.3044 0.3299 536SOL H116711 2.000 5.237 7.566 0.1820 -1.0319 0.5241 536SOL H216712 1.954 5.143 7.676 -0.9540 -0.7213 0.3252 537SOL OH216713 4.995 0.068 1.169 0.3740 0.4458 -0.1653 537SOL H116714 4.950 0.149 1.195 -1.5089 -0.1761 -1.3090 537SOL H216715 5.087 0.092 1.166 -0.1164 2.4878 -0.2134 538SOL OH216716 5.272 2.748 7.469 -0.0378 0.2831 -0.7390 538SOL H116717 5.195 2.700 7.499 0.6234 -0.9518 -0.9492 538SOL H216718 5.236 2.826 7.425 -1.0918 0.7024 0.7743 539SOL OH216719 0.787 1.985 0.976 0.3842 -0.0052 0.8876 539SOL H116720 0.748 2.020 0.895 -0.4019 0.2477 1.3625 539SOL H216721 0.774 1.891 0.970 0.4124 0.0040 0.6762 540SOL OH216722 5.658 2.829 7.440 0.2997 -0.5194 0.0722 540SOL H116723 5.607 2.755 7.475 1.9874 -1.7465 0.0901 540SOL H216724 5.749 2.804 7.455 0.9536 1.0958 -0.9297 541SOL OH216725 4.596 3.083 6.688 -0.1141 0.1734 0.0159 541SOL H116726 4.556 3.000 6.716 -2.2118 1.0652 -0.1810 541SOL H216727 4.621 3.125 6.770 -1.7369 0.5960 0.3369 542SOL OH216728 0.328 2.237 8.143 -0.4617 0.0234 -0.3192 542SOL H116729 0.357 2.215 8.231 0.4110 1.6736 -0.1620 542SOL H216730 0.373 2.173 8.087 -0.4740 -0.5921 0.3592 543SOL OH216731 4.241 1.433 0.654 0.1933 -0.9761 -0.4007 543SOL H116732 4.274 1.522 0.642 0.0158 -0.9603 -0.8022 543SOL H216733 4.184 1.439 0.730 0.9489 -0.9613 0.1661 544SOL OH216734 2.876 3.204 0.153 0.0407 0.3405 -0.0901 544SOL H116735 2.798 3.256 0.133 -0.7019 -0.3819 0.8241 544SOL H216736 2.852 3.154 0.231 1.4466 0.1414 0.2393 545SOL OH216737 2.117 1.355 6.933 0.3021 -0.4829 0.1328 545SOL H116738 2.049 1.376 6.869 0.9693 1.5429 -0.0110 545SOL H216739 2.121 1.433 6.989 2.8943 -0.2496 -0.2588 546SOL OH216740 3.070 2.191 7.087 0.3111 0.0281 -0.7061 546SOL H116741 3.049 2.189 7.180 3.0105 0.5467 0.0016 546SOL H216742 3.036 2.108 7.053 -1.3620 0.1572 0.5367 547SOL OH216743 2.068 2.275 8.075 0.7529 -0.0639 0.0607 547SOL H116744 2.026 2.356 8.046 1.5311 -0.4169 -2.1945 547SOL H216745 2.093 2.293 8.166 0.2376 1.9406 -0.1457 548SOL OH216746 2.306 0.888 1.782 0.1431 -0.2257 -0.1573 548SOL H116747 2.392 0.892 1.824 -0.2090 0.8516 0.5125 548SOL H216748 2.290 0.978 1.752 -0.8767 -0.3426 0.0049 549SOL OH216749 2.766 4.972 6.878 0.0413 -0.6998 -0.9475 549SOL H116750 2.701 5.042 6.866 0.1776 -0.5098 -0.5663 549SOL H216751 2.849 5.011 6.851 -0.2327 -1.4404 -3.0461 550SOL OH216752 2.830 1.392 7.578 -0.0960 0.5454 -0.5792 550SOL H116753 2.761 1.440 7.533 -2.1846 -3.3652 -1.9863 550SOL H216754 2.820 1.416 7.670 -2.6201 0.9468 -0.8953 551SOL OH216755 0.285 2.475 0.756 0.4838 0.5295 -0.1351 551SOL H116756 0.194 2.500 0.743 -0.1978 -2.0172 -0.9818 551SOL H216757 0.294 2.470 0.851 -0.9887 -1.2943 -0.0253 552SOL OH216758 0.125 3.904 8.337 -0.0128 -0.2477 -0.2367 552SOL H116759 0.172 3.928 8.257 0.8731 0.2194 0.3961 552SOL H216760 0.181 3.937 8.408 -0.8686 -0.4814 0.5696 553SOL OH216761 5.350 2.262 1.077 -0.0268 0.3253 0.8382 553SOL H116762 5.294 2.254 1.155 -0.1007 -2.7642 0.6012 553SOL H216763 5.433 2.222 1.103 0.3213 0.2333 -0.3482 554SOL OH216764 4.730 1.100 6.556 -0.2892 -0.3786 0.1049 554SOL H116765 4.767 1.122 6.470 0.4295 -2.3253 -0.1437 554SOL H216766 4.807 1.086 6.612 -0.7407 0.1229 0.8659 555SOL OH216767 1.162 1.063 7.331 -0.0490 -0.2373 0.3592 555SOL H116768 1.131 1.152 7.348 0.0712 -0.5328 2.2652 555SOL H216769 1.239 1.075 7.275 0.3169 0.8962 1.0778 556SOL OH216770 3.531 2.727 0.274 -0.9718 0.1199 0.3716 556SOL H116771 3.570 2.814 0.273 0.9833 -0.6907 1.7880 556SOL H216772 3.447 2.739 0.228 -0.4443 2.5591 -0.1213 557SOL OH216773 3.876 1.552 0.523 -0.0451 0.3739 0.0285 557SOL H116774 3.908 1.544 0.433 -2.5720 -1.2688 -0.8226 557SOL H216775 3.834 1.638 0.527 1.5913 1.2062 0.2360 558SOL OH216776 5.179 5.809 0.435 -0.4938 0.4656 -0.5235 558SOL H116777 5.170 5.840 0.525 -0.5687 3.3226 -1.4226 558SOL H216778 5.117 5.736 0.428 0.0635 -0.3427 1.8873 559SOL OH216779 5.861 4.564 8.056 -0.4023 -0.1760 -0.3552 559SOL H116780 5.825 4.638 8.104 -0.3965 0.4909 -1.3333 559SOL H216781 5.953 4.588 8.041 -0.5154 -0.1610 -1.0685 560SOL OH216782 1.559 1.452 1.535 -0.2989 0.6611 -0.2583 560SOL H116783 1.511 1.400 1.600 -1.4646 3.7897 1.6385 560SOL H216784 1.644 1.467 1.575 -0.4848 1.3576 -0.1096 561SOL OH216785 2.672 5.805 0.034 -0.0127 -0.1650 -0.3744 561SOL H116786 2.703 5.820 0.123 0.7320 0.3797 -0.7174 561SOL H216787 2.686 5.711 0.019 -0.4937 -0.3370 0.2031 562SOL OH216788 0.367 1.682 1.977 -0.2018 -0.2209 -0.3281 562SOL H116789 0.371 1.659 1.884 0.9555 2.6197 -1.1128 562SOL H216790 0.396 1.603 2.023 1.9227 -0.8979 -2.5721 563SOL OH216791 2.797 3.376 6.672 -0.5672 0.5506 -0.1765 563SOL H116792 2.848 3.447 6.632 -1.7108 2.2258 1.1823 563SOL H216793 2.709 3.386 6.635 -0.7541 -0.1532 0.0678 564SOL OH216794 5.829 3.964 0.743 0.8063 -0.3877 -0.0248 564SOL H116795 5.876 3.897 0.793 -2.0696 -1.2382 1.7695 564SOL H216796 5.766 3.915 0.691 -0.8166 0.7987 0.7259 565SOL OH216797 0.631 3.809 1.458 -0.5188 0.0654 0.2514 565SOL H116798 0.721 3.777 1.456 -0.5753 -0.2521 1.8658 565SOL H216799 0.600 3.799 1.367 0.4627 -1.5506 0.0632 566SOL OH216800 0.238 1.969 1.658 0.1986 -0.2767 0.2149 566SOL H116801 0.163 1.910 1.660 -0.9147 1.0240 -1.2943 566SOL H216802 0.219 2.034 1.726 -0.7739 0.8400 -1.0693 567SOL OH216803 0.992 2.967 0.963 0.3406 0.7164 -0.1064 567SOL H116804 0.968 2.978 0.871 2.1536 -1.9861 -1.0331 567SOL H216805 0.956 2.882 0.988 2.8187 -0.2449 0.5163 568SOL OH216806 5.719 2.088 6.738 0.1352 -0.0296 -0.1866 568SOL H116807 5.631 2.117 6.761 0.6665 -0.6116 3.0877 568SOL H216808 5.776 2.160 6.765 0.8261 -0.4983 -0.3558 569SOL OH216809 0.920 3.020 2.430 -0.2836 0.0279 0.1935 569SOL H116810 0.984 3.091 2.442 1.2246 -0.8629 -2.0637 569SOL H216811 0.950 2.951 2.489 -2.4140 1.5095 3.2941 570SOL OH216812 0.471 0.980 7.564 -0.4946 -0.1619 0.6983 570SOL H116813 0.407 0.926 7.517 -1.0626 2.1948 -1.4239 570SOL H216814 0.428 1.064 7.575 1.6809 1.0269 0.5904 571SOL OH216815 3.237 2.288 0.266 0.3057 -0.3102 0.4757 571SOL H116816 3.196 2.321 0.186 0.3611 1.4085 1.1222 571SOL H216817 3.201 2.200 0.277 -0.7648 -0.0412 -0.6724 572SOL OH216818 3.128 3.663 1.368 -0.5946 -0.0745 -0.1899 572SOL H116819 3.223 3.652 1.369 -0.7145 -1.1234 1.1155 572SOL H216820 3.093 3.574 1.364 -1.5258 0.1924 1.2462 573SOL OH216821 4.818 4.597 1.105 -0.8697 0.4531 0.0372 573SOL H116822 4.763 4.537 1.054 -0.0742 1.1095 -1.6859 573SOL H216823 4.897 4.546 1.124 -1.1858 0.1923 0.6941 574SOL OH216824 1.637 1.893 6.955 0.0432 0.5259 0.4670 574SOL H116825 1.683 1.846 6.885 -0.4379 1.0720 -0.2373 574SOL H216826 1.621 1.980 6.919 -2.1375 0.1604 0.4019 575SOL OH216827 1.898 5.472 2.215 0.2860 0.2437 -0.1324 575SOL H116828 1.983 5.431 2.229 -0.0046 -0.5067 -0.5327 575SOL H216829 1.854 5.465 2.300 0.3839 0.0714 -0.0959 576SOL OH216830 2.521 4.526 0.600 0.0787 0.4616 -0.1234 576SOL H116831 2.581 4.601 0.598 1.0292 -0.2144 1.4529 576SOL H216832 2.569 4.458 0.646 -2.6006 0.5214 3.0769 577SOL OH216833 1.046 0.452 6.682 0.7751 0.1482 -0.5256 577SOL H116834 1.031 0.477 6.773 1.3114 -1.1531 -0.0644 577SOL H216835 0.962 0.416 6.653 0.8411 -0.1856 -0.2962 578SOL OH216836 0.904 1.358 1.374 0.4228 -0.1821 -0.8857 578SOL H116837 0.884 1.400 1.291 -2.2278 3.2218 1.2033 578SOL H216838 0.830 1.299 1.390 -0.8087 1.5885 0.3615 579SOL OH216839 3.659 5.604 7.816 0.8078 -0.3608 -0.6308 579SOL H116840 3.574 5.642 7.835 0.5742 -1.5248 0.8596 579SOL H216841 3.655 5.516 7.853 2.9833 -0.0997 0.4143 580SOL OH216842 0.471 1.857 6.543 -0.4776 0.0080 0.5026 580SOL H116843 0.491 1.918 6.615 -1.3777 -0.3849 1.0945 580SOL H216844 0.413 1.906 6.485 -2.1500 -0.6326 1.5729 581SOL OH216845 3.534 2.173 1.351 0.4859 -0.0050 -0.6720 581SOL H116846 3.531 2.243 1.416 2.0681 -0.1848 -0.3797 581SOL H216847 3.509 2.094 1.400 -2.0703 0.3940 -1.1682 582SOL OH216848 3.577 4.064 1.132 -0.1149 -0.1380 0.3660 582SOL H116849 3.563 4.141 1.077 0.5912 -1.0764 -1.1611 582SOL H216850 3.537 3.992 1.084 1.6081 -1.2000 0.4619 583SOL OH216851 5.614 1.942 6.507 -0.5072 -0.2615 -0.3071 583SOL H116852 5.674 1.989 6.565 -2.3102 -1.5703 2.8384 583SOL H216853 5.671 1.894 6.448 1.4061 2.7211 -1.1396 584SOL OH216854 3.941 0.177 6.324 -0.3488 0.1361 -0.1976 584SOL H116855 3.872 0.228 6.280 0.2711 0.1143 -1.2454 584SOL H216856 3.934 0.089 6.287 0.5590 0.2645 -0.7253 585SOL OH216857 3.349 4.768 7.532 0.6406 -0.2704 -0.0860 585SOL H116858 3.404 4.807 7.464 -0.2833 3.4881 1.0992 585SOL H216859 3.284 4.717 7.485 3.1139 -2.2064 -1.6603 586SOL OH216860 5.135 3.415 7.701 -0.3081 -0.3672 -0.5030 586SOL H116861 5.213 3.460 7.668 -0.7806 -0.4942 -1.8222 586SOL H216862 5.067 3.432 7.635 -0.8171 -2.0511 -0.4503 587SOL OH216863 0.499 4.627 0.972 -0.3570 0.0116 0.0335 587SOL H116864 0.534 4.553 0.922 -1.4336 -0.6767 0.2796 587SOL H216865 0.484 4.695 0.907 -0.4983 -0.4133 -0.3845 588SOL OH216866 3.537 2.661 7.249 0.0759 0.2599 0.2758 588SOL H116867 3.463 2.663 7.310 -1.4780 2.4962 -1.5129 588SOL H216868 3.504 2.703 7.170 2.2000 -1.9236 -1.9215 589SOL OH216869 3.615 2.511 0.680 -0.6398 -0.1309 -0.0004 589SOL H116870 3.624 2.480 0.590 -1.3740 1.0853 -0.5211 589SOL H216871 3.704 2.524 0.711 -0.3737 -0.8980 -0.4196 590SOL OH216872 2.445 1.207 8.395 -0.0812 0.9410 -0.1918 590SOL H116873 2.397 1.258 8.460 2.5087 0.6324 2.1274 590SOL H216874 2.449 1.118 8.431 1.7334 0.8500 -0.4966 591SOL OH216875 1.648 2.203 6.721 -0.4707 0.1356 0.3856 591SOL H116876 1.711 2.230 6.788 -0.1751 0.2629 0.0548 591SOL H216877 1.694 2.138 6.669 -0.3463 0.7654 -0.3140 592SOL OH216878 5.099 1.989 6.144 0.5773 -0.6214 -0.3169 592SOL H116879 5.179 1.937 6.151 0.9285 0.1893 3.4144 592SOL H216880 5.028 1.926 6.157 0.7247 -0.9355 -1.0037 593SOL OH216881 3.760 0.193 7.149 0.6639 -0.0507 0.6840 593SOL H116882 3.845 0.228 7.177 0.6094 -0.5250 1.4470 593SOL H216883 3.697 0.231 7.210 0.3344 0.1851 0.2088 594SOL OH216884 0.342 3.275 1.998 0.1226 0.4680 0.2802 594SOL H116885 0.309 3.354 2.040 -2.5737 0.5339 -1.6817 594SOL H216886 0.324 3.205 2.060 -3.2198 0.6338 -0.3638 595SOL OH216887 3.320 2.444 6.950 0.3123 0.1993 -0.1876 595SOL H116888 3.326 2.349 6.947 1.5211 0.2442 0.3344 595SOL H216889 3.409 2.475 6.933 0.7709 1.1200 3.1424 596SOL OH216890 3.570 5.828 1.699 0.6689 0.0361 -0.5808 596SOL H116891 3.484 5.863 1.720 1.8503 2.1013 1.2439 596SOL H216892 3.598 5.878 1.622 1.5137 1.8424 0.8104 597SOL OH216893 3.099 3.375 7.994 -0.1191 -0.2621 -0.1233 597SOL H116894 3.065 3.454 8.037 -0.4350 -1.0993 1.2059 597SOL H216895 3.056 3.303 8.039 -2.2786 -1.2208 -3.3232 598SOL OH216896 4.038 1.304 7.816 -0.3133 0.1845 0.3643 598SOL H116897 4.037 1.371 7.747 -1.3348 0.4045 0.5704 598SOL H216898 4.116 1.325 7.868 -0.2706 0.8379 0.0542 599SOL OH216899 2.263 1.605 6.151 -0.3253 0.2834 -0.3579 599SOL H116900 2.196 1.613 6.219 -1.5480 -1.6128 -1.2382 599SOL H216901 2.306 1.521 6.169 -0.4108 -0.0712 -1.6739 600SOL OH216902 0.711 6.071 1.656 -0.0394 -0.5841 0.5179 600SOL H116903 0.655 6.055 1.580 -0.3648 0.0470 0.6139 600SOL H216904 0.791 6.023 1.637 0.6312 1.0326 -1.1158 601SOL OH216905 1.018 5.200 0.390 -0.3225 -0.3879 0.3076 601SOL H116906 0.956 5.266 0.359 0.7499 1.6707 2.2575 601SOL H216907 0.966 5.145 0.449 -0.8318 -0.1452 0.0900 602SOL OH216908 3.778 2.467 7.803 0.8411 -0.4459 0.6818 602SOL H116909 3.862 2.429 7.777 0.6922 -1.7077 1.9344 602SOL H216910 3.802 2.535 7.866 1.0452 0.9819 -0.8621 603SOL OH216911 1.995 3.922 1.533 -0.6386 0.6127 0.2561 603SOL H116912 1.927 3.854 1.528 -1.0975 1.1315 -1.2665 603SOL H216913 2.060 3.887 1.594 0.2662 -2.2253 -2.1139 604SOL OH216914 3.350 4.045 7.882 0.2039 0.0768 -0.5125 604SOL H116915 3.397 4.121 7.916 0.3979 -0.5235 0.5958 604SOL H216916 3.264 4.050 7.923 0.7490 -1.1639 0.8453 605SOL OH216917 0.054 3.122 0.562 0.4316 0.2548 -1.1703 605SOL H116918 0.036 3.046 0.617 0.1745 0.6285 -0.7297 605SOL H216919 0.042 3.091 0.473 -2.0071 0.3437 -0.9489 606SOL OH216920 3.574 0.676 6.111 -0.2964 -0.4727 -0.1907 606SOL H116921 3.485 0.696 6.140 0.0861 0.3305 0.4722 606SOL H216922 3.565 0.656 6.018 -1.0864 0.2325 -0.2809 607SOL OH216923 2.154 1.533 2.166 -0.3214 0.1789 -0.2105 607SOL H116924 2.249 1.543 2.163 -0.3731 1.5138 1.3172 607SOL H216925 2.140 1.463 2.231 -0.3967 0.3651 -0.0260 608SOL OH216926 3.336 0.523 6.584 -0.1126 -0.4396 0.8876 608SOL H116927 3.317 0.580 6.659 1.1916 -0.8951 1.5891 608SOL H216928 3.358 0.438 6.623 2.8588 -0.0950 0.2033 609SOL OH216929 2.778 4.861 0.794 0.0348 -0.1519 0.2100 609SOL H116930 2.682 4.863 0.792 0.0418 -0.1114 -0.2684 609SOL H216931 2.804 4.950 0.771 0.1814 0.5345 2.7807 610SOL OH216932 1.913 2.476 7.014 -0.7235 0.4111 -0.7401 610SOL H116933 1.822 2.459 6.989 -1.1923 -1.9987 2.0882 610SOL H216934 1.962 2.403 6.976 0.0705 1.5526 -2.0209 611SOL OH216935 1.539 5.325 6.597 -0.0621 0.4690 -0.3222 611SOL H116936 1.570 5.292 6.681 1.0539 0.9688 -0.5140 611SOL H216937 1.618 5.362 6.555 -0.1765 -1.3807 -2.3655 612SOL OH216938 1.304 3.712 0.386 0.0746 -0.0164 0.0220 612SOL H116939 1.397 3.708 0.364 0.3658 0.5893 1.0783 612SOL H216940 1.261 3.747 0.308 0.6945 -0.5165 -0.5505 613SOL OH216941 3.408 1.819 1.134 -0.1615 -0.5927 0.0694 613SOL H116942 3.367 1.905 1.129 0.0867 -0.1776 3.3244 613SOL H216943 3.417 1.792 1.042 0.9441 3.3475 -1.1834 614SOL OH216944 4.745 2.520 0.056 0.0044 1.1738 -0.3885 614SOL H116945 4.726 2.613 0.051 -0.1203 1.1795 0.1307 614SOL H216946 4.837 2.515 0.079 -0.0851 1.1751 -0.0229 615SOL OH216947 5.222 2.276 6.740 1.1243 0.4910 -0.0348 615SOL H116948 5.165 2.335 6.691 2.0198 2.9470 1.6581 615SOL H216949 5.168 2.199 6.758 -0.0502 0.6510 -2.4801 616SOL OH216950 0.306 1.885 2.992 0.3203 0.4194 0.2991 616SOL H116951 0.290 1.845 2.907 1.4780 0.2527 0.1469 616SOL H216952 0.218 1.904 3.026 -0.1806 -0.2234 -0.5815 617SOL OH216953 0.210 4.973 0.625 -0.0828 -0.6804 -0.1403 617SOL H116954 0.135 4.969 0.685 0.4757 -0.9243 0.5471 617SOL H216955 0.194 5.051 0.573 0.9607 1.4011 2.4204 618SOL OH216956 2.987 2.945 7.277 -0.0102 0.6457 -0.3518 618SOL H116957 2.987 3.022 7.333 3.1403 -0.3893 1.2674 618SOL H216958 3.079 2.923 7.265 -0.7585 -2.6315 -1.1063 619SOL OH216959 2.551 0.545 6.385 0.2377 0.7718 -0.2914 619SOL H116960 2.457 0.524 6.386 0.9493 -3.2830 0.3722 619SOL H216961 2.570 0.570 6.476 0.0816 -0.5303 0.1335 620SOL OH216962 2.267 1.316 7.191 -0.1066 0.0155 0.2888 620SOL H116963 2.240 1.320 7.099 0.8801 0.6310 0.0173 620SOL H216964 2.224 1.238 7.225 -1.9559 0.7592 -0.2082 621SOL OH216965 2.420 5.648 0.230 0.1301 0.3143 -0.4299 621SOL H116966 2.479 5.705 0.279 0.2659 -1.0511 1.0851 621SOL H216967 2.333 5.670 0.263 0.3396 -1.6239 1.6404 622SOL OH216968 4.414 0.570 8.488 -0.4893 -0.2047 -0.0805 622SOL H116969 4.431 0.639 8.423 -0.0573 -2.0348 -2.0038 622SOL H216970 4.498 0.525 8.498 -0.6058 -0.1267 1.6440 623SOL OH216971 2.026 0.713 1.308 0.3076 0.4728 0.0333 623SOL H116972 2.099 0.700 1.368 0.8676 1.0724 -0.4944 623SOL H216973 1.998 0.803 1.322 0.3011 0.5511 -0.4494 624SOL OH216974 0.525 5.028 6.141 -0.4727 0.3327 -0.2299 624SOL H116975 0.557 5.094 6.079 1.0474 0.4495 0.6065 624SOL H216976 0.600 5.013 6.200 -1.1126 -1.4185 0.2020 625SOL OH216977 4.940 0.360 0.888 0.0209 -0.0823 0.1027 625SOL H116978 4.904 0.294 0.829 -0.1932 0.2281 -0.1133 625SOL H216979 4.978 0.426 0.831 0.9045 -0.3770 0.3248 626SOL OH216980 2.371 1.900 0.146 0.0330 -0.3696 0.5879 626SOL H116981 2.384 1.991 0.122 -1.0180 -0.2673 0.3821 626SOL H216982 2.360 1.853 0.063 -1.5707 -0.3285 0.7420 627SOL OH216983 4.969 5.958 7.618 0.7839 -0.4492 0.3320 627SOL H116984 5.000 6.045 7.593 -0.7139 0.3471 1.1362 627SOL H216985 4.959 5.911 7.535 2.0831 -0.0622 -0.0781 628SOL OH216986 1.573 3.623 7.485 -0.4881 -0.0957 0.0269 628SOL H116987 1.585 3.528 7.489 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-0.0717 771SOL H117416 0.224 1.002 0.173 -0.8793 -0.4865 -0.0750 771SOL H217417 0.212 1.043 0.028 0.0892 -0.4281 -0.1436 772SOL OH217418 2.660 0.837 1.812 0.1285 0.0493 0.3138 772SOL H117419 2.694 0.777 1.746 -0.5450 -0.1937 0.1795 772SOL H217420 2.737 0.880 1.848 0.4467 0.9926 -1.3979 773SOL OH217421 1.735 5.381 7.054 0.0365 -0.5236 0.6104 773SOL H117422 1.654 5.356 7.009 -1.3120 -0.4154 2.8157 773SOL H217423 1.739 5.476 7.043 0.5568 -0.6764 -0.5715 774SOL OH217424 3.459 0.868 1.290 -0.3303 -0.2561 -0.0495 774SOL H117425 3.450 0.962 1.303 1.0057 0.3193 -2.6519 774SOL H217426 3.545 0.847 1.325 -0.4312 -0.4328 0.0970 775SOL OH217427 0.305 0.641 7.196 -0.5664 0.0327 -0.0727 775SOL H117428 0.288 0.547 7.203 -3.8020 0.3667 -1.7479 775SOL H217429 0.304 0.658 7.102 -0.1220 1.7854 0.2070 776SOL OH217430 1.263 5.605 6.570 0.3571 -0.3011 0.3326 776SOL H117431 1.240 5.696 6.587 -0.9078 -0.8054 1.4297 776SOL H217432 1.300 5.606 6.481 0.1032 1.2213 0.2221 777SOL OH217433 3.452 2.351 5.836 0.3811 0.1822 -0.0413 777SOL H117434 3.524 2.362 5.898 0.2713 1.1728 -0.0847 777SOL H217435 3.402 2.432 5.842 -0.1229 -0.0617 -0.8072 778SOL OH217436 5.566 2.634 8.448 -0.6119 -0.1105 -0.2927 778SOL H117437 5.529 2.561 8.397 -1.9361 2.0310 -2.6086 778SOL H217438 5.560 2.605 8.539 1.2934 -3.9094 -1.1682 779SOL OH217439 2.802 3.713 7.257 -0.3270 0.3123 0.0172 779SOL H117440 2.769 3.724 7.346 1.3846 2.8587 0.4389 779SOL H217441 2.799 3.619 7.241 -0.9577 -0.1747 2.6389 780SOL OH217442 2.180 4.814 0.618 -0.1520 0.3547 -0.1244 780SOL H117443 2.149 4.728 0.647 -0.6985 0.5286 -0.1868 780SOL H217444 2.107 4.873 0.635 -0.2222 0.5928 -1.1829 781SOL OH217445 3.878 1.467 5.981 0.1532 0.3422 0.0508 781SOL H117446 3.911 1.491 5.894 1.4119 -2.3108 -0.2974 781SOL H217447 3.786 1.445 5.965 0.1044 0.8258 -0.3944 782SOL OH217448 2.917 3.360 7.586 -0.3794 -0.1009 0.4425 782SOL H117449 2.903 3.268 7.609 -0.4600 -0.0106 0.7614 782SOL H217450 2.853 3.377 7.516 0.7376 -0.7227 -0.7708 783SOL OH217451 1.251 4.748 0.673 -0.3098 -0.4037 0.1108 783SOL H117452 1.194 4.682 0.712 -1.0268 0.3701 0.4009 783SOL H217453 1.279 4.709 0.590 -0.9924 -0.9319 0.1168 784SOL OH217454 4.514 2.686 0.972 -0.3281 0.1496 0.8247 784SOL H117455 4.441 2.635 1.008 -1.8476 2.6387 1.4887 784SOL H217456 4.513 2.768 1.020 -0.7252 2.5810 -2.9053 785SOL OH217457 5.636 3.117 1.818 -0.4996 -0.0573 0.1891 785SOL H117458 5.681 3.032 1.812 -1.6342 -0.6792 0.0752 785SOL H217459 5.705 3.182 1.810 0.0570 -0.8863 -3.4344 786SOL OH217460 5.002 2.110 8.421 -0.3964 0.0572 -0.3047 786SOL H117461 4.982 2.203 8.432 0.7592 0.3685 -0.6452 786SOL H217462 4.934 2.064 8.470 0.0281 1.1257 1.3767 787SOL OH217463 0.785 2.604 2.124 -0.3590 0.9291 0.3319 787SOL H117464 0.876 2.580 2.108 -0.0447 -0.0492 3.1297 787SOL H217465 0.787 2.696 2.146 0.5019 0.2603 3.4823 788SOL OH217466 4.235 5.699 0.777 0.0553 0.3064 -0.0280 788SOL H117467 4.203 5.715 0.688 1.9417 -0.6611 -0.9283 788SOL H217468 4.323 5.664 0.765 -0.0231 -0.8027 2.2068 789SOL OH217469 1.846 0.659 0.404 -0.1469 0.4574 -0.0665 789SOL H117470 1.919 0.687 0.348 0.2927 0.9397 0.7160 789SOL H217471 1.875 0.576 0.441 0.0534 0.6817 0.2970 790SOL OH217472 2.512 0.668 1.120 -0.6901 -0.3400 -0.0678 790SOL H117473 2.418 0.684 1.113 -0.7462 -0.8255 -0.4707 790SOL H217474 2.534 0.617 1.041 0.0395 0.3727 -0.3385 791SOL OH217475 1.990 2.365 0.260 0.4354 -0.5195 0.0566 791SOL H117476 1.981 2.388 0.168 -1.5352 0.4994 0.4370 791SOL H217477 1.983 2.270 0.262 0.1468 -0.5214 -0.8232 792SOL OH217478 1.395 0.199 0.603 0.3453 -0.0910 -0.2617 792SOL H117479 1.430 0.282 0.572 -0.3548 -0.1038 -1.1298 792SOL H217480 1.305 0.198 0.572 -0.5662 0.0749 2.1714 793SOL OH217481 5.095 2.723 1.347 1.0836 0.0132 -0.2859 793SOL H117482 5.003 2.734 1.369 0.9315 -1.1674 -0.2461 793SOL H217483 5.141 2.788 1.400 0.5901 -1.6902 2.3997 794SOL OH217484 2.955 1.411 6.357 0.8521 0.3427 -0.0656 794SOL H117485 2.947 1.452 6.271 1.4380 -0.0511 -0.3202 794SOL H217486 2.923 1.322 6.344 0.3040 0.4783 0.2975 795SOL OH217487 2.250 3.421 6.843 -0.0553 0.2554 0.0859 795SOL H117488 2.201 3.371 6.778 2.7069 0.6188 -2.4815 795SOL H217489 2.329 3.370 6.859 0.8397 1.7432 0.6500 796SOL OH217490 4.040 0.769 2.647 -0.0307 0.3160 0.2538 796SOL H117491 4.090 0.842 2.610 -2.5180 0.9309 -2.2134 796SOL H217492 3.977 0.811 2.706 -0.7464 0.0871 -0.3350 797SOL OH217493 5.256 0.994 8.142 -0.2666 -0.3673 0.2079 797SOL H117494 5.226 1.077 8.179 -0.7992 -1.5228 2.5497 797SOL H217495 5.325 1.019 8.081 -0.5355 1.8033 0.7012 798SOL OH217496 3.174 5.139 7.533 -0.5450 -0.2205 -0.4199 798SOL H117497 3.164 5.068 7.469 -1.6351 -0.2769 -0.2063 798SOL H217498 3.105 5.123 7.598 -1.5439 1.6381 -0.9398 799SOL OH217499 4.680 5.674 8.024 0.6770 -0.8010 0.4129 799SOL H117500 4.755 5.721 7.988 -1.3819 1.5475 -1.1963 799SOL H217501 4.673 5.594 7.971 0.7087 0.1098 -1.0026 800SOL OH217502 4.177 5.322 8.423 0.5117 0.1356 -0.4289 800SOL H117503 4.226 5.268 8.485 -1.8688 -0.6717 0.8825 800SOL H217504 4.152 5.261 8.353 0.2069 0.1898 -0.3702 801SOL OH217505 4.646 4.491 6.887 -0.5869 0.7027 0.7735 801SOL H117506 4.597 4.565 6.921 0.9126 2.6249 -0.9520 801SOL H217507 4.592 4.456 6.816 -0.1621 1.9299 -0.1997 802SOL OH217508 3.205 1.609 2.242 -0.0662 -0.3728 0.2430 802SOL H117509 3.173 1.607 2.152 0.4975 0.4418 0.0165 802SOL H217510 3.135 1.652 2.291 1.1051 2.6364 -0.4821 803SOL OH217511 2.200 4.728 6.510 -0.1377 -0.6706 -0.0573 803SOL H117512 2.134 4.667 6.543 -1.5905 1.2679 0.7579 803SOL H217513 2.150 4.799 6.470 1.5109 -0.0697 -1.1915 804SOL OH217514 4.547 4.885 6.131 -0.3171 -0.0100 0.1272 804SOL H117515 4.455 4.874 6.107 0.0478 0.6153 -1.6686 804SOL H217516 4.567 4.976 6.110 0.8123 -0.2359 0.1577 805SOL OH217517 3.078 5.635 8.338 -0.2593 0.1026 -0.3286 805SOL H117518 3.032 5.609 8.418 0.3531 -0.8640 -0.2824 805SOL H217519 3.149 5.572 8.329 0.9509 1.4312 -0.5026 806SOL OH217520 0.707 4.861 0.899 -0.7327 0.2215 -0.1247 806SOL H117521 0.625 4.877 0.853 -0.0978 0.3681 -1.2483 806SOL H217522 0.689 4.887 0.989 -1.6362 1.1929 -0.5598 807SOL OH217523 1.839 4.544 7.949 0.9715 0.0045 0.2286 807SOL H117524 1.815 4.621 7.898 -2.0835 -2.3981 -2.3833 807SOL H217525 1.934 4.537 7.938 1.2288 2.8826 -0.0928 808SOL OH217526 5.561 3.635 1.301 -0.2192 0.4091 -0.0218 808SOL H117527 5.607 3.561 1.340 -0.0571 -0.2285 -1.3832 808SOL H217528 5.618 3.665 1.230 -1.5693 -0.0032 -1.3356 809SOL OH217529 3.849 1.123 0.597 -0.9388 -0.0021 0.6430 809SOL H117530 3.806 1.201 0.561 1.5133 1.1247 -0.0207 809SOL H217531 3.890 1.153 0.678 -0.4218 -0.7423 0.6662 810SOL OH217532 3.641 3.569 1.104 0.1623 0.4792 0.1512 810SOL H117533 3.673 3.643 1.155 -0.8185 0.7435 0.4030 810SOL H217534 3.548 3.587 1.091 -0.8162 -2.0410 2.6420 811SOL OH217535 1.380 5.597 7.077 -0.0661 0.1062 -0.8298 811SOL H117536 1.404 5.618 6.987 -1.4634 -0.4115 -1.3542 811SOL H217537 1.286 5.616 7.082 0.2774 1.6399 0.9790 812SOL OH217538 1.277 4.469 0.662 0.2027 0.4632 -0.5581 812SOL H117539 1.240 4.421 0.588 -2.1685 1.7079 -0.2863 812SOL H217540 1.366 4.492 0.634 1.1705 -3.2089 -1.0204 813SOL OH217541 2.365 3.284 7.419 -0.1050 -0.3269 -0.3830 813SOL H117542 2.391 3.370 7.386 -0.6011 0.4546 1.1804 813SOL H217543 2.422 3.222 7.372 2.5797 1.0832 0.8340 814SOL OH217544 0.633 1.518 6.621 0.1080 0.2892 0.0750 814SOL H117545 0.688 1.440 6.631 -1.1711 -0.4725 1.7201 814SOL H217546 0.680 1.572 6.558 1.8663 -1.0725 0.1192 815SOL OH217547 2.178 3.874 1.317 0.2997 -0.1488 0.4267 815SOL H117548 2.137 3.851 1.233 -0.0805 -2.5998 1.1967 815SOL H217549 2.106 3.873 1.380 1.0264 -1.6272 1.3002 816SOL OH217550 3.418 5.834 8.050 0.3175 -0.0139 -0.0347 816SOL H117551 3.323 5.828 8.049 0.3907 -1.4424 -0.4222 816SOL H217552 3.439 5.893 7.977 -0.3022 1.4291 0.9127 817SOL OH217553 4.792 2.209 8.140 0.1849 0.0314 0.4046 817SOL H117554 4.761 2.227 8.051 -0.3496 0.4643 0.6714 817SOL H217555 4.765 2.286 8.191 -3.2053 -1.9058 1.8506 818SOL OH217556 5.668 3.056 0.526 0.5190 -0.7286 0.0481 818SOL H117557 5.587 3.097 0.497 0.4546 -0.4778 0.5554 818SOL H217558 5.645 3.016 0.610 1.2007 0.3597 0.7783 819SOL OH217559 1.984 2.028 6.999 -0.1612 0.5616 -0.2909 819SOL H117560 1.986 1.938 7.034 -0.4282 1.0625 1.0610 819SOL H217561 1.922 2.074 7.054 2.2869 2.3972 1.1204 820SOL OH217562 1.630 5.607 1.835 -0.2666 -0.3735 0.6116 820SOL H117563 1.590 5.692 1.847 -1.2347 -0.7705 0.2509 820SOL H217564 1.706 5.608 1.893 -0.5195 0.5616 0.9391 821SOL OH217565 1.067 4.288 1.486 -0.1746 -0.1307 -0.2622 821SOL H117566 1.061 4.260 1.577 0.5146 1.1750 0.2148 821SOL H217567 1.032 4.215 1.436 1.3722 -1.7495 0.9071 822SOL OH217568 4.670 5.191 7.938 -0.4872 0.1558 0.0894 822SOL H117569 4.659 5.107 7.984 1.5766 -0.1264 0.1496 822SOL H217570 4.706 5.167 7.853 -2.8317 0.8046 -1.1742 823SOL OH217571 4.847 1.331 1.046 0.1141 0.0388 -0.3598 823SOL H117572 4.878 1.418 1.072 -0.7098 0.3699 -0.4353 823SOL H217573 4.899 1.309 0.969 -0.0428 0.7107 -0.6675 824SOL OH217574 2.283 3.347 0.142 -0.3847 -0.0136 0.1245 824SOL H117575 2.341 3.277 0.112 -0.3566 -0.8584 2.0187 824SOL H217576 2.321 3.377 0.224 -2.5855 -0.6066 1.4526 825SOL OH217577 3.061 3.251 7.370 -0.6443 0.2752 0.2271 825SOL H117578 3.021 3.310 7.434 -0.0006 0.3289 0.5838 825SOL H217579 3.136 3.213 7.415 -1.0498 -0.8271 -0.0033 826SOL OH217580 3.061 4.335 6.977 0.2486 0.0837 0.5780 826SOL H117581 3.026 4.408 7.029 1.5813 -0.0700 1.7620 826SOL H217582 3.106 4.378 6.904 0.3197 0.4290 0.8168 827SOL OH217583 0.086 2.306 8.049 -0.4851 0.7190 -0.5009 827SOL H117584 0.163 2.279 8.100 -1.3218 -0.9681 -0.0827 827SOL H217585 0.110 2.393 8.016 2.8413 -0.8648 -2.8572 828SOL OH217586 0.502 0.647 7.990 -0.8887 0.0176 -0.1371 828SOL H117587 0.581 0.665 8.041 -0.7081 1.1700 -0.7793 828SOL H217588 0.457 0.579 8.039 0.3653 -0.4681 0.3870 829SOL OH217589 2.916 5.224 7.690 -0.2173 0.2218 -0.3621 829SOL H117590 2.866 5.143 7.675 -0.9717 0.5107 0.4757 829SOL H217591 2.862 5.292 7.651 0.3859 0.3356 -1.0045 830SOL OH217592 5.819 4.427 7.800 0.0214 -0.1711 -0.6782 830SOL H117593 5.846 4.465 7.883 0.2671 2.3019 -1.7709 830SOL H217594 5.748 4.484 7.770 -1.2641 -2.0583 -1.3529 831SOL OH217595 0.944 1.914 0.723 -0.6268 0.6157 0.0630 831SOL H117596 0.985 1.951 0.645 -1.3156 0.0698 -0.5816 831SOL H217597 0.973 1.970 0.795 1.1539 0.3086 -0.3683 832SOL OH217598 1.841 1.448 2.285 -0.5504 0.2632 -1.2262 832SOL H117599 1.841 1.537 2.319 -1.3636 -0.9128 2.2486 832SOL H217600 1.929 1.415 2.304 -0.2691 0.2592 -2.4480 833SOL OH217601 2.954 5.085 1.207 -0.0835 -0.0375 -0.0568 833SOL H117602 3.030 5.038 1.240 1.1509 1.5737 -0.4576 833SOL H217603 2.947 5.163 1.263 -2.4478 -0.9166 1.0051 834SOL OH217604 3.330 0.843 7.787 0.1451 0.4065 0.1518 834SOL H117605 3.290 0.762 7.816 -0.5740 1.4373 2.2277 834SOL H217606 3.287 0.864 7.705 0.1324 -1.1261 -0.2575 835SOL OH217607 0.818 2.370 6.315 0.5286 0.2543 0.1014 835SOL H117608 0.868 2.335 6.389 2.2434 0.8040 -0.7355 835SOL H217609 0.884 2.390 6.249 -0.9714 -0.5581 -1.7487 836SOL OH217610 4.042 3.358 1.352 -0.3190 -0.3214 0.0404 836SOL H117611 4.082 3.445 1.344 0.6528 -0.7517 0.1221 836SOL H217612 4.039 3.326 1.262 -0.1011 -0.4510 0.0782 837SOL OH217613 1.802 3.657 7.324 -0.2551 0.4940 -0.3575 837SOL H117614 1.767 3.607 7.398 0.9777 -1.2703 -0.8784 837SOL H217615 1.825 3.742 7.361 -2.4548 0.7420 0.5819 838SOL OH217616 0.677 5.395 0.898 -0.8698 0.1954 -0.7422 838SOL H117617 0.732 5.412 0.821 -0.1979 -2.6692 -1.0298 838SOL H217618 0.635 5.311 0.879 -1.4011 -0.1522 1.6448 839SOL OH217619 4.918 4.934 0.315 -0.6092 -0.2174 -0.0258 839SOL H117620 4.988 4.999 0.312 -1.6640 1.0174 0.7981 839SOL H217621 4.895 4.928 0.408 -1.8603 -0.2762 -0.3148 840SOL OH217622 4.350 0.966 1.348 0.4750 0.4381 0.6219 840SOL H117623 4.419 1.009 1.297 1.3602 -0.8187 0.7132 840SOL H217624 4.382 0.966 1.438 0.7026 -0.7755 0.5603 841SOL OH217625 2.940 4.374 7.833 0.1868 0.2802 -0.4161 841SOL H117626 2.890 4.352 7.754 1.4115 -1.3034 -0.7848 841SOL H217627 2.970 4.290 7.867 -0.4834 0.8898 1.9045 842SOL OH217628 3.862 5.350 7.024 -0.0825 0.3001 -0.4549 842SOL H117629 3.823 5.374 6.940 -0.7715 1.6477 0.2128 842SOL H217630 3.949 5.390 7.023 0.3986 -0.7234 -0.9994 843SOL OH217631 1.731 5.724 8.454 0.0315 -0.2229 0.1431 843SOL H117632 1.679 5.668 8.396 -5.3457 3.3926 0.8097 843SOL H217633 1.774 5.786 8.396 0.8972 -1.1713 -0.2544 844SOL OH217634 3.668 2.934 1.891 0.0836 -0.3697 0.0300 844SOL H117635 3.744 2.947 1.834 0.1482 -0.3808 0.1116 844SOL H217636 3.622 2.859 1.854 1.4467 -1.9679 1.3573 845SOL OH217637 2.394 4.487 7.909 -0.2961 -0.2628 0.8839 845SOL H117638 2.427 4.479 7.819 -1.5646 1.1409 0.2622 845SOL H217639 2.456 4.546 7.951 -1.9693 2.5601 -0.3508 846SOL OH217640 4.111 1.597 2.066 0.8476 0.3538 0.3412 846SOL H117641 4.092 1.614 1.974 0.2822 -2.8730 -0.2588 846SOL H217642 4.027 1.612 2.111 0.2623 -1.1719 -0.2103 847SOL OH217643 3.864 3.950 6.523 -0.2967 -0.6208 0.3539 847SOL H117644 3.929 4.002 6.569 1.2546 -1.3605 -0.9048 847SOL H217645 3.850 3.996 6.440 -0.3876 -1.1438 0.0693 848SOL OH217646 2.647 2.916 1.735 -0.3056 0.0289 -0.3610 848SOL H117647 2.609 2.898 1.821 0.7888 -0.7647 -0.0161 848SOL H217648 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1097SOL OH218393 5.711 1.870 1.424 -0.1760 0.2734 -0.3225 1097SOL H118394 5.667 1.956 1.420 3.6174 2.4448 -0.3942 1097SOL H218395 5.743 1.864 1.514 -1.2926 -1.6813 -0.0040 1098SOL OH218396 0.867 5.096 2.054 0.3929 -0.7122 0.4375 1098SOL H118397 0.808 5.167 2.079 1.3434 -0.0922 1.0158 1098SOL H218398 0.818 5.045 1.990 -0.8853 -0.4080 1.1315 1099SOL OH218399 1.984 4.226 1.670 0.1971 0.8139 -0.3937 1099SOL H118400 2.079 4.224 1.665 0.1277 0.7419 -1.9585 1099SOL H218401 1.957 4.136 1.651 -0.1746 0.6913 0.6514 1100SOL OH218402 3.086 0.687 8.463 -0.3833 -0.0829 0.5854 1100SOL H118403 3.026 0.695 8.389 -1.4731 0.7215 1.5461 1100SOL H218404 3.087 0.773 8.504 -0.1204 -0.6216 1.7635 1101SOL OH218405 1.244 0.607 8.178 0.1772 0.7939 -0.6465 1101SOL H118406 1.264 0.677 8.115 -0.7014 1.3004 -0.3711 1101SOL H218407 1.240 0.652 8.263 -0.3701 0.4084 -0.4638 1102SOL OH218408 1.950 5.035 2.480 -0.0086 0.0598 0.4886 1102SOL H118409 2.029 5.088 2.472 1.3017 -2.0695 -2.4216 1102SOL H218410 1.878 5.095 2.457 1.1649 1.1777 -0.3879 1103SOL OH218411 0.120 3.808 0.542 0.4179 0.6403 0.2018 1103SOL H118412 0.049 3.776 0.486 0.8958 1.8099 -1.1335 1103SOL H218413 0.182 3.735 0.547 -0.7903 -0.3469 1.2927 1104SOL OH218414 2.163 4.109 0.099 0.2614 1.2700 -0.3670 1104SOL H118415 2.196 4.028 0.060 -0.0818 0.1021 1.6768 1104SOL H218416 2.078 4.124 0.056 -0.9825 -0.9955 1.1410 1105SOL OH218417 2.104 4.157 0.368 -0.4311 -0.0149 0.3651 1105SOL H118418 2.167 4.227 0.388 -0.7518 0.6840 -0.9153 1105SOL H218419 2.112 4.146 0.273 -1.9507 -0.1874 0.2382 1106SOL OH218420 5.257 0.841 2.397 -0.2930 -0.4821 -0.3841 1106SOL H118421 5.337 0.836 2.449 -1.8456 -1.8495 2.0735 1106SOL H218422 5.259 0.927 2.357 1.7671 0.0232 0.6751 1107SOL OH218423 0.960 0.560 8.270 0.0155 0.1974 -0.5443 1107SOL H118424 1.044 0.585 8.231 0.6564 0.4391 0.9318 1107SOL H218425 0.917 0.643 8.288 0.3464 0.1526 0.5345 1108SOL OH218426 0.647 0.703 1.843 0.1382 -0.1174 -0.1313 1108SOL H118427 0.690 0.759 1.909 -2.7152 -0.0518 1.8534 1108SOL H218428 0.720 0.663 1.796 2.5627 -1.6577 4.3027 1109SOL OH218429 2.360 4.527 6.359 -0.4705 0.5288 0.3201 1109SOL H118430 2.414 4.534 6.439 -0.0589 2.2370 -0.0847 1109SOL H218431 2.279 4.572 6.381 -0.1105 1.5681 -0.4060 1110SOL OH218432 3.598 1.772 1.785 0.0612 -0.1745 0.1410 1110SOL H118433 3.624 1.847 1.731 0.2054 0.2693 0.8137 1110SOL H218434 3.503 1.769 1.778 0.1282 -0.5916 -0.7428 1111SOL OH218435 4.120 0.868 1.278 -0.4518 0.3569 -0.3815 1111SOL H118436 4.128 0.778 1.309 -0.0398 0.0351 -1.3929 1111SOL H218437 4.210 0.901 1.278 -0.6064 0.7831 0.0216 1112SOL OH218438 4.921 2.293 6.274 0.5228 0.1082 0.5073 1112SOL H118439 4.869 2.322 6.200 1.4002 0.1425 -0.1210 1112SOL H218440 4.868 2.225 6.317 -0.6981 1.2370 0.8363 1113SOL OH218441 4.412 1.594 0.003 -0.1703 -0.4245 -0.3921 1113SOL H118442 4.340 1.553 -0.045 -1.0423 -0.7319 1.0908 1113SOL H218443 4.372 1.623 0.085 1.3662 -0.4197 0.3878 1114SOL OH218444 1.619 1.349 7.770 -0.1525 -0.0192 -0.4539 1114SOL H118445 1.535 1.370 7.811 0.5669 -0.5433 1.4114 1114SOL H218446 1.602 1.270 7.719 -0.2442 -1.8612 2.2308 1115SOL OH218447 4.647 5.883 1.624 0.0010 0.0642 -0.1866 1115SOL H118448 4.728 5.908 1.581 1.7201 -2.1778 1.5305 1115SOL H218449 4.674 5.842 1.706 -2.9138 -0.0487 0.8524 1116SOL OH218450 4.666 4.593 8.008 -0.2918 -0.3438 -0.2361 1116SOL H118451 4.716 4.550 7.939 -0.0792 1.5345 -1.3215 1116SOL H218452 4.686 4.543 8.087 -0.9157 -2.8372 -1.5766 1117SOL OH218453 1.428 2.502 0.441 0.4049 0.5620 -0.4369 1117SOL H118454 1.373 2.492 0.364 -0.7458 0.6012 0.3492 1117SOL H218455 1.492 2.569 0.416 -1.3389 2.2568 -0.6453 1118SOL OH218456 1.421 1.593 7.184 0.1780 -0.0477 -0.1866 1118SOL H118457 1.491 1.657 7.188 0.1919 0.0097 -1.2363 1118SOL H218458 1.407 1.577 7.091 0.3542 -1.7641 0.0456 1119SOL OH218459 1.885 3.266 8.371 -0.0105 -0.3446 0.2861 1119SOL H118460 1.810 3.209 8.357 -1.3779 1.7006 -1.5835 1119SOL H218461 1.896 3.311 8.287 2.3678 0.5245 0.9827 1120SOL OH218462 5.692 1.674 0.637 -0.0854 -0.3028 0.3574 1120SOL H118463 5.694 1.594 0.690 -1.8960 -0.3469 0.4402 1120SOL H218464 5.696 1.745 0.701 -1.6595 -0.3570 0.5516 1121SOL OH218465 4.907 0.750 7.045 0.2220 -0.1891 -0.3550 1121SOL H118466 4.831 0.779 6.993 0.5870 0.0111 -0.7832 1121SOL H218467 4.978 0.806 7.016 0.3032 0.3237 0.7892 1122SOL OH218468 5.146 4.511 6.487 0.8762 0.3435 -0.5610 1122SOL H118469 5.165 4.427 6.446 0.2771 -1.1320 2.0272 1122SOL H218470 5.088 4.555 6.425 0.4545 -1.5267 -1.5694 1123SOL OH218471 3.307 5.920 1.740 0.5916 -0.3459 0.1935 1123SOL H118472 3.267 5.845 1.785 -3.7245 0.3744 -1.9430 1123SOL H218473 3.250 5.994 1.760 2.1333 1.3895 -1.3787 1124SOL OH218474 4.832 0.870 0.195 0.2340 -0.0418 -0.2111 1124SOL H118475 4.894 0.910 0.256 -1.3138 0.1376 1.3292 1124SOL H218476 4.871 0.884 0.109 3.5047 -2.0978 0.7893 1125SOL OH218477 0.027 3.895 1.941 0.4859 -0.2553 0.1501 1125SOL H118478 -0.045 3.903 2.004 -0.1057 -3.9114 0.1670 1125SOL H218479 0.100 3.861 1.993 0.6570 -1.2792 -0.7378 1126SOL OH218480 4.676 1.744 1.428 -0.6355 -0.0317 -0.2856 1126SOL H118481 4.758 1.710 1.392 0.1661 0.4760 0.9964 1126SOL H218482 4.657 1.686 1.502 -0.3694 1.0299 0.6367 1127SOL OH218483 1.422 0.436 0.485 0.4923 0.0553 0.2909 1127SOL H118484 1.335 0.425 0.447 0.0703 0.7352 1.0275 1127SOL H218485 1.417 0.519 0.533 2.0736 1.0118 -1.1024 1128SOL OH218486 0.145 5.264 1.963 -0.6126 0.7148 -0.3190 1128SOL H118487 0.137 5.173 1.991 -1.1056 0.7128 -0.4522 1128SOL H218488 0.229 5.269 1.918 -0.3924 0.4266 0.0578 1129SOL OH218489 5.006 1.637 8.501 -0.3480 -1.2533 -0.4590 1129SOL H118490 5.038 1.567 8.444 -1.6670 0.1258 -3.1117 1129SOL H218491 4.943 1.684 8.447 0.0923 1.6780 1.3623 1130SOL OH218492 2.663 4.956 8.378 0.0039 -0.2278 0.2765 1130SOL H118493 2.722 4.981 8.306 -0.4246 0.3570 0.1191 1130SOL H218494 2.593 4.907 8.335 -0.1143 -0.1080 0.3337 1131SOL OH218495 2.450 4.149 0.155 0.4588 0.0929 -0.3624 1131SOL H118496 2.491 4.077 0.107 0.1780 -0.1193 -0.2841 1131SOL H218497 2.362 4.155 0.118 0.2163 -0.1191 0.1819 1132SOL OH218498 1.612 2.450 2.514 -0.3288 -0.2255 0.6075 1132SOL H118499 1.665 2.414 2.584 -0.2720 1.7962 1.6937 1132SOL H218500 1.643 2.406 2.435 1.3362 -0.7816 1.5247 1133SOL OH218501 1.193 1.355 8.364 -0.7247 -0.0396 0.2390 1133SOL H118502 1.232 1.292 8.424 -1.1176 -1.1267 -0.6055 1133SOL H218503 1.159 1.302 8.292 -0.1193 1.2161 -1.0409 1134SOL OH218504 1.109 4.752 6.129 -0.5090 0.3599 -0.2562 1134SOL H118505 1.099 4.801 6.211 -1.9451 -0.5606 0.1638 1134SOL H218506 1.020 4.736 6.099 -0.0500 -0.7126 -1.1505 1135SOL OH218507 4.239 5.886 6.368 -0.2791 0.5325 0.0964 1135SOL H118508 4.303 5.901 6.299 0.3877 -0.7701 0.4000 1135SOL H218509 4.158 5.867 6.321 -0.1092 0.7687 -0.3016 1136SOL OH218510 3.012 1.550 1.557 -0.6709 -0.7139 0.2923 1136SOL H118511 2.968 1.634 1.573 -0.5780 -0.8165 1.1260 1136SOL H218512 2.957 1.506 1.492 -1.8002 -0.8181 1.2729 1137SOL OH218513 0.161 5.115 1.204 0.0382 0.4063 0.1947 1137SOL H118514 0.192 5.202 1.232 -1.0705 0.1664 2.4289 1137SOL H218515 0.089 5.095 1.264 0.3002 -2.0886 -0.2048 1138SOL OH218516 2.707 3.105 8.032 0.2503 0.0906 -0.1080 1138SOL H118517 2.803 3.105 8.030 0.2478 -0.9976 -1.1094 1138SOL H218518 2.682 3.013 8.019 -0.9260 0.1175 1.5735 1139SOL OH218519 1.750 4.694 8.206 0.1965 -0.0943 0.0697 1139SOL H118520 1.737 4.644 8.125 1.6244 -2.2098 1.0727 1139SOL H218521 1.836 4.668 8.237 2.1926 4.8141 -0.4804 1140SOL OH218522 3.079 6.052 0.732 0.3267 -0.0148 -0.5083 1140SOL H118523 3.134 5.996 0.678 0.2753 -0.0363 -0.5392 1140SOL H218524 3.011 6.083 0.673 -2.2335 -3.3469 0.3434 1141SOL OH218525 3.130 3.872 1.968 -0.2584 -0.0208 -0.1902 1141SOL H118526 3.198 3.889 2.033 -1.8501 -1.6147 2.0328 1141SOL H218527 3.049 3.902 2.009 -1.3077 -0.9646 -1.4834 1142SOL OH218528 3.515 1.896 0.325 -0.0007 0.5696 0.3106 1142SOL H118529 3.547 1.977 0.363 3.8618 -0.7772 0.3850 1142SOL H218530 3.472 1.923 0.244 2.5595 2.6834 -0.4974 1143SOL OH218531 0.873 0.866 6.504 -0.6685 -0.4847 -0.2387 1143SOL H118532 0.809 0.932 6.477 -0.3675 -0.4236 -0.8208 1143SOL H218533 0.908 0.831 6.422 0.2962 -0.2698 0.0700 1144SOL OH218534 5.383 5.613 2.120 -0.5656 0.2827 -0.7798 1144SOL H118535 5.297 5.576 2.102 -0.8187 0.4801 -0.0440 1144SOL H218536 5.374 5.651 2.208 -0.5451 2.7377 -1.7729 1145SOL OH218537 2.935 3.746 1.571 0.3101 -0.5435 -0.1398 1145SOL H118538 2.863 3.683 1.576 -2.3997 2.2788 -0.8747 1145SOL H218539 2.981 3.721 1.490 -0.7227 -1.5496 -0.4558 1146SOL OH218540 5.038 3.247 0.226 0.0522 -0.1539 0.2689 1146SOL H118541 5.069 3.223 0.139 1.1878 -0.0532 0.6224 1146SOL H218542 5.007 3.337 0.216 -1.0581 -0.5808 -0.3062 1147SOL OH218543 3.268 3.914 2.205 0.1196 -0.4151 -0.3412 1147SOL H118544 3.259 3.960 2.288 -2.2643 -1.3186 -0.0301 1147SOL H218545 3.334 3.964 2.156 -1.2262 2.4228 0.5553 1148SOL OH218546 5.830 1.491 6.475 0.0968 -0.0064 0.2668 1148SOL H118547 5.882 1.447 6.542 0.0470 1.9920 1.7357 1148SOL H218548 5.748 1.514 6.520 -1.3195 -1.3955 -1.4367 1149SOL OH218549 2.555 0.204 7.618 0.2575 0.3096 -0.0771 1149SOL H118550 2.576 0.133 7.557 0.4063 -1.2295 1.6792 1149SOL H218551 2.464 0.189 7.643 -0.0117 1.3230 -0.4320 1150SOL OH218552 4.170 4.497 6.494 -0.2157 -0.0949 -0.5884 1150SOL H118553 4.181 4.446 6.575 0.1380 -1.3888 -1.4290 1150SOL H218554 4.194 4.587 6.519 0.5647 -0.6071 0.5760 1151SOL OH218555 3.289 3.197 0.830 0.5495 0.2403 -0.4756 1151SOL H118556 3.310 3.176 0.739 0.9011 0.7639 -0.5248 1151SOL H218557 3.361 3.159 0.880 -1.1440 -2.7089 -0.0850 1152SOL OH218558 2.147 2.093 1.790 0.0340 0.1405 0.2181 1152SOL H118559 2.228 2.140 1.769 -0.5230 0.9434 -0.1611 1152SOL H218560 2.177 2.005 1.814 0.8675 -0.3505 -2.3086 1153SOL OH218561 2.594 1.513 1.142 -0.2287 0.1931 -0.4761 1153SOL H118562 2.582 1.562 1.061 -1.3911 -0.8144 -0.9515 1153SOL H218563 2.633 1.430 1.114 -1.3265 -0.4690 -0.1413 1154SOL OH218564 4.527 4.270 6.161 -0.0299 -0.5599 0.0978 1154SOL H118565 4.478 4.258 6.080 -4.2293 0.4971 2.1522 1154SOL H218566 4.532 4.364 6.173 -0.2496 -0.6873 1.4113 1155SOL OH218567 2.263 1.212 7.905 -0.3148 -0.6666 0.8772 1155SOL H118568 2.280 1.118 7.905 -0.1545 -0.6429 1.5185 1155SOL H218569 2.317 1.246 7.976 -0.3623 -0.0881 0.6415 1156SOL OH218570 4.550 4.194 8.466 0.3798 0.2376 0.1306 1156SOL H118571 4.512 4.138 8.534 -0.0147 1.1931 0.7266 1156SOL H218572 4.483 4.196 8.397 -1.7470 3.4624 1.9769 1157SOL OH218573 3.674 4.422 8.411 0.2421 0.0627 -0.1004 1157SOL H118574 3.759 4.463 8.425 0.1103 1.2089 -2.1621 1157SOL H218575 3.692 4.346 8.356 -0.1778 1.5069 -2.3876 1158SOL OH218576 0.764 3.231 0.608 0.6634 -0.4060 -0.7117 1158SOL H118577 0.755 3.313 0.560 -0.7586 1.5237 2.4901 1158SOL H218578 0.680 3.186 0.595 -0.2195 0.6933 0.7156 1159SOL OH218579 4.185 1.228 1.502 0.2066 -0.6353 -0.3604 1159SOL H118580 4.121 1.288 1.463 0.3365 0.3350 0.8652 1159SOL H218581 4.138 1.187 1.574 0.6580 -0.6988 -0.1048 1160SOL OH218582 5.305 5.357 0.882 0.5791 0.1842 0.2746 1160SOL H118583 5.279 5.276 0.838 0.1253 1.2983 -1.5968 1160SOL H218584 5.365 5.400 0.821 -0.1080 1.8114 0.6892 1161SOL OH218585 4.311 1.277 8.475 -0.3469 0.3409 -0.4642 1161SOL H118586 4.400 1.244 8.488 0.2803 2.4575 1.0742 1161SOL H218587 4.281 1.234 8.395 1.8333 -0.8534 -0.7111 1162SOL OH218588 5.979 2.513 0.654 0.1063 -0.3394 -0.3039 1162SOL H118589 5.961 2.558 0.572 -1.3032 1.1926 0.7712 1162SOL H218590 5.916 2.549 0.716 0.5879 -2.0212 1.2753 1163SOL OH218591 2.856 1.223 6.758 0.1026 0.3488 -0.0227 1163SOL H118592 2.944 1.185 6.761 0.6205 1.3187 -1.7190 1163SOL H218593 2.845 1.264 6.844 1.2347 0.0675 0.2809 1164SOL OH218594 4.274 5.424 1.370 0.3581 0.5532 0.4705 1164SOL H118595 4.283 5.487 1.299 -1.1531 -0.4048 -0.6588 1164SOL H218596 4.181 5.400 1.368 0.6529 -0.8124 1.6214 1165SOL OH218597 0.007 4.330 6.799 -0.6247 0.0187 1.1104 1165SOL H118598 -0.056 4.401 6.784 1.3363 2.1628 2.4906 1165SOL H218599 0.082 4.353 6.744 -0.1308 -1.2961 1.2012 1166SOL OH218600 5.778 1.047 0.148 -0.2454 -0.2370 0.1285 1166SOL H118601 5.808 1.118 0.092 -0.1534 0.0417 0.5218 1166SOL H218602 5.849 1.035 0.212 -1.2306 0.8828 1.4901 1167SOL OH218603 0.155 3.137 6.428 0.3582 -0.3525 0.1641 1167SOL H118604 0.060 3.142 6.422 0.4439 -0.2491 -1.6505 1167SOL H218605 0.178 3.057 6.380 1.1849 -0.3901 0.6110 1168SOL OH218606 5.804 5.404 1.548 -0.2704 -0.1599 -0.1273 1168SOL H118607 5.723 5.389 1.596 0.4174 0.2370 1.1996 1168SOL H218608 5.873 5.371 1.605 0.5883 0.4025 -0.8056 1169SOL OH218609 1.420 5.583 1.379 -0.4700 0.0232 -0.5284 1169SOL H118610 1.372 5.501 1.370 -2.7993 1.1894 0.4927 1169SOL H218611 1.483 5.566 1.449 0.3479 -1.3875 -1.5461 1170SOL OH218612 4.539 4.415 7.354 0.6003 0.2861 0.0822 1170SOL H118613 4.463 4.357 7.362 0.6117 0.5432 3.3703 1170SOL H218614 4.590 4.377 7.283 -1.0022 -1.8027 -0.0560 1171SOL OH218615 4.928 1.585 7.412 -0.3411 -0.5343 -0.1619 1171SOL H118616 5.007 1.639 7.417 -0.7069 -0.0857 1.1639 1171SOL H218617 4.901 1.589 7.320 1.1337 -0.6436 -0.6201 1172SOL OH218618 5.786 0.331 8.072 -0.5104 -0.0623 -0.8503 1172SOL H118619 5.719 0.392 8.042 -0.9972 -1.0415 -1.8051 1172SOL H218620 5.748 0.290 8.150 0.2676 1.6029 0.4864 1173SOL OH218621 2.472 2.263 7.445 1.0191 -0.3491 -0.5490 1173SOL H118622 2.479 2.352 7.409 -1.5949 -0.3775 -1.3630 1173SOL H218623 2.509 2.207 7.378 0.9009 -0.0064 -0.9049 1174SOL OH218624 2.519 2.920 1.280 0.6739 0.2490 0.0493 1174SOL H118625 2.538 2.898 1.188 2.0580 1.1130 0.1034 1174SOL H218626 2.558 3.007 1.292 -1.8166 1.3536 0.7337 1175SOL OH218627 1.426 2.190 0.318 0.4271 0.2506 0.8390 1175SOL H118628 1.505 2.244 0.321 0.6694 -0.1167 1.0629 1175SOL H218629 1.366 2.239 0.261 1.2347 -0.0403 -0.2864 1176SOL OH218630 5.911 1.119 1.066 -0.9913 0.5792 0.1785 1176SOL H118631 6.006 1.120 1.079 -0.8269 0.8680 -0.8876 1176SOL H218632 5.874 1.144 1.151 -0.0297 2.5072 0.0993 1177SOL OH218633 3.584 6.079 6.806 0.1038 -0.0625 0.2886 1177SOL H118634 3.627 6.043 6.883 -1.8925 1.3346 2.1660 1177SOL H218635 3.492 6.059 6.818 -0.1111 -1.4793 -2.7570 1178SOL OH218636 0.147 2.925 6.906 -0.1495 -0.3651 0.2677 1178SOL H118637 0.227 2.971 6.931 -1.2568 0.8315 1.7733 1178SOL H218638 0.108 2.898 6.989 -1.0204 -1.4822 -0.4726 1179SOL OH218639 1.736 3.674 8.298 -0.1331 -0.7447 0.7287 1179SOL H118640 1.732 3.763 8.333 -2.2944 -0.2293 -0.6639 1179SOL H218641 1.645 3.646 8.294 -0.0809 -0.9616 -3.7601 1180SOL OH218642 1.261 3.763 1.755 -0.3676 -0.1635 -0.3763 1180SOL H118643 1.174 3.726 1.739 -0.6745 -0.0301 0.9406 1180SOL H218644 1.309 3.693 1.799 -0.7285 0.7004 1.4905 1181SOL OH218645 0.077 4.194 1.921 0.2164 0.7994 0.2556 1181SOL H118646 0.028 4.112 1.921 2.2689 -0.4855 0.3930 1181SOL H218647 0.082 4.219 2.013 0.7367 0.3526 0.3509 1182SOL OH218648 1.066 0.758 0.744 0.1565 0.0807 -0.3035 1182SOL H118649 1.013 0.727 0.816 0.9345 -0.6888 -0.0511 1182SOL H218650 1.156 0.751 0.775 0.4154 1.5598 -0.6453 1183SOL OH218651 0.016 3.363 7.435 -0.1240 -0.6089 0.2727 1183SOL H118652 -0.043 3.421 7.387 1.8790 0.7413 -0.7120 1183SOL H218653 0.034 3.408 7.517 -0.5939 -1.1275 0.6742 1184SOL OH218654 0.838 3.787 1.974 -0.1979 -0.1825 -0.6498 1184SOL H118655 0.785 3.795 2.054 0.6273 0.7038 -0.1778 1184SOL H218656 0.921 3.751 2.004 -0.0338 -0.2371 -1.1705 1185SOL OH218657 1.522 0.231 7.526 0.0365 0.0110 0.1625 1185SOL H118658 1.464 0.269 7.460 -1.2330 0.1843 1.3403 1185SOL H218659 1.475 0.155 7.559 0.1756 0.5103 1.5779 1186SOL OH218660 5.587 2.048 7.116 -0.6125 0.0057 -0.2755 1186SOL H118661 5.501 2.035 7.076 0.2719 -0.6304 -2.0868 1186SOL H218662 5.642 1.980 7.077 0.8606 0.7670 0.3898 1187SOL OH218663 0.758 6.063 7.183 -0.3973 -0.1297 0.4676 1187SOL H118664 0.723 6.021 7.104 -0.0023 -0.3111 0.3866 1187SOL H218665 0.681 6.098 7.228 -0.6202 0.0168 -0.0231 1188SOL OH218666 2.011 4.601 8.292 0.2285 -1.1782 0.4224 1188SOL H118667 2.079 4.591 8.358 -0.1593 0.2205 1.0554 1188SOL H218668 2.056 4.641 8.218 0.0601 -0.0248 0.9308 1189SOL OH218669 4.494 6.091 8.119 -0.0417 0.2466 -0.5675 1189SOL H118670 4.486 6.031 8.045 -0.3179 -0.5996 0.1367 1189SOL H218671 4.588 6.107 8.127 0.1250 -0.8530 -0.1717 1190SOL OH218672 1.146 3.488 8.030 -0.1331 0.2664 0.1477 1190SOL H118673 1.203 3.431 7.978 0.7953 0.3038 1.0901 1190SOL H218674 1.058 3.465 8.002 0.2971 -0.4896 -0.6500 1191SOL OH218675 5.475 1.680 7.057 0.3090 -0.1007 0.6172 1191SOL H118676 5.556 1.649 7.019 -0.6085 -1.1745 -0.5308 1191SOL H218677 5.415 1.690 6.983 -0.7155 0.3479 1.4665 1192SOL OH218678 4.823 1.927 0.892 0.1995 0.1046 0.9516 1192SOL H118679 4.730 1.939 0.911 0.4707 1.9822 1.2317 1192SOL H218680 4.853 1.864 0.958 -0.9223 -0.8168 0.6161 1193SOL OH218681 2.628 3.623 7.636 -0.2458 -0.2048 -0.0136 1193SOL H118682 2.612 3.541 7.683 -0.2762 -0.4895 -0.5136 1193SOL H218683 2.680 3.675 7.696 -0.7694 -0.3397 0.5633 1194SOL OH218684 0.721 0.756 2.307 -0.2811 -0.7590 -0.5638 1194SOL H118685 0.749 0.760 2.399 -0.2231 0.0358 -0.6043 1194SOL H218686 0.650 0.820 2.301 -0.8929 -1.4487 -0.8798 1195SOL OH218687 4.577 5.115 5.994 0.5399 0.2438 -0.1111 1195SOL H118688 4.576 5.210 6.003 0.0970 0.2569 -0.2458 1195SOL H218689 4.653 5.096 5.939 2.2942 0.2880 2.1575 1196SOL OH218690 5.594 3.073 7.520 0.4246 0.1593 -0.1383 1196SOL H118691 5.613 2.981 7.503 -1.0589 -0.3077 0.6483 1196SOL H218692 5.592 3.113 7.433 -2.5304 -1.2958 -0.8402 1197SOL OH218693 5.895 4.423 7.339 -0.0159 0.1998 0.2120 1197SOL H118694 5.832 4.423 7.411 -0.2724 1.0723 -0.0016 1197SOL H218695 5.929 4.334 7.337 -0.2662 0.0714 1.1839 1198SOL OH218696 1.125 0.311 2.775 -0.0261 0.0393 -0.3641 1198SOL H118697 1.083 0.276 2.697 -1.2911 0.0087 0.3138 1198SOL H218698 1.061 0.371 2.813 0.7260 0.3709 0.4325 1199SOL OH218699 1.184 4.457 7.070 0.1123 0.3056 -0.0684 1199SOL H118700 1.253 4.515 7.101 1.1134 0.5721 -2.5293 1199SOL H218701 1.191 4.379 7.125 2.4668 0.2907 -0.2976 1200SOL OH218702 0.206 4.743 1.237 -0.6334 -0.0697 0.0435 1200SOL H118703 0.256 4.784 1.307 -0.0478 -2.8609 1.4094 1200SOL H218704 0.250 4.659 1.222 -0.6746 0.3923 -3.7874 1201SOL OH218705 0.308 3.546 1.582 -0.3621 0.4646 0.0208 1201SOL H118706 0.388 3.532 1.532 0.3839 0.5281 1.1512 1201SOL H218707 0.338 3.578 1.667 -1.6383 1.2539 0.1976 1202SOL OH218708 1.828 5.611 1.323 -0.0330 -0.1190 -0.0266 1202SOL H118709 1.905 5.614 1.266 1.7741 -0.9608 2.1980 1202SOL H218710 1.773 5.543 1.287 0.2533 0.4790 -1.6643 1203SOL OH218711 5.432 0.109 7.439 0.2693 0.0561 0.2767 1203SOL H118712 5.479 0.089 7.358 -0.5353 0.4717 -0.3066 1203SOL H218713 5.347 0.141 7.410 -0.3448 -0.5913 1.3145 1204SOL OH218714 4.884 6.014 1.765 -0.0326 -0.2296 0.0096 1204SOL H118715 4.820 5.956 1.808 0.8882 -0.8593 0.5570 1204SOL H218716 4.886 5.985 1.674 -0.5638 -0.1659 -0.0275 1205SOL OH218717 3.615 3.485 7.574 0.0173 -0.5392 0.8293 1205SOL H118718 3.703 3.453 7.592 0.1675 -0.3572 0.4372 1205SOL H218719 3.586 3.436 7.498 -0.8873 -1.8036 1.9480 1206SOL OH218720 0.907 2.494 1.095 0.3966 -0.0802 -0.1321 1206SOL H118721 0.910 2.408 1.055 -1.4973 -0.3156 0.1204 1206SOL H218722 0.997 2.527 1.090 1.7804 -3.1016 2.0944 1207SOL OH218723 5.838 1.087 6.740 0.0541 -0.8128 0.5728 1207SOL H118724 5.931 1.076 6.761 0.0984 -0.2350 0.6987 1207SOL H218725 5.811 1.002 6.705 0.7231 -0.8729 0.1803 1208SOL OH218726 0.784 2.721 1.263 0.4944 -0.0499 -0.1587 1208SOL H118727 0.820 2.673 1.189 -0.7449 -0.2040 -0.6943 1208SOL H218728 0.693 2.738 1.238 0.4874 1.2622 0.6684 1209SOL OH218729 4.321 2.559 1.808 0.2247 -0.3348 0.2665 1209SOL H118730 4.303 2.485 1.866 0.1040 -0.9323 -0.5078 1209SOL H218731 4.396 2.530 1.756 0.6735 0.4052 0.4875 1210SOL OH218732 4.084 5.775 0.539 -0.2334 -1.0218 0.0521 1210SOL H118733 4.100 5.849 0.598 2.4684 -1.2648 -0.2557 1210SOL H218734 4.060 5.816 0.456 -0.3622 -0.5394 0.3236 1211SOL OH218735 5.479 2.939 8.395 -0.2941 -0.1813 0.1377 1211SOL H118736 5.495 2.852 8.432 -0.5453 -0.6906 -0.9139 1211SOL H218737 5.389 2.960 8.420 0.3918 0.6553 2.0694 1212SOL OH218738 1.584 1.538 0.078 -0.7573 -0.6600 -0.4733 1212SOL H118739 1.663 1.521 0.027 -1.1862 -2.4866 -0.6125 1212SOL H218740 1.530 1.593 0.022 0.6196 1.1119 -0.1400 1213SOL OH218741 4.108 1.297 0.424 -0.2647 0.2947 0.1931 1213SOL H118742 4.102 1.207 0.454 -0.6193 0.2286 -0.0652 1213SOL H218743 4.149 1.344 0.497 0.4673 -0.1821 0.0959 1214SOL OH218744 3.623 3.931 8.195 -0.1248 -0.0779 0.0782 1214SOL H118745 3.670 3.880 8.261 1.8573 1.4718 -0.0535 1214SOL H218746 3.534 3.898 8.199 -0.3089 0.3985 4.0434 1215SOL OH218747 2.712 5.300 0.285 -0.0590 -0.1723 0.0952 1215SOL H118748 2.788 5.351 0.313 0.5407 0.5766 -2.5471 1215SOL H218749 2.640 5.334 0.337 0.6715 2.1870 -0.2914 1216SOL OH218750 5.182 0.200 8.344 -0.0611 0.1321 0.2812 1216SOL H118751 5.152 0.109 8.346 2.1096 -0.6940 -1.1849 1216SOL H218752 5.117 0.248 8.396 -2.8038 -1.7608 -1.1734 1217SOL OH218753 1.847 0.306 6.935 -0.2783 0.2929 -0.2146 1217SOL H118754 1.825 0.302 7.028 0.9913 2.8658 0.3157 1217SOL H218755 1.765 0.328 6.892 -0.8902 -0.9561 0.2735 1218SOL OH218756 4.359 2.351 6.869 0.3820 -0.0103 -0.1646 1218SOL H118757 4.264 2.356 6.880 0.2211 -0.2049 -1.3478 1218SOL H218758 4.371 2.306 6.785 1.5267 -0.6202 0.3017 1219SOL OH218759 2.911 3.889 7.911 -0.4418 0.0943 -0.3762 1219SOL H118760 2.844 3.881 7.979 -0.4648 -1.4439 -0.5456 1219SOL H218761 2.862 3.890 7.829 -0.3080 -0.2317 -0.4630 1220SOL OH218762 5.898 2.227 1.404 0.4064 -0.0765 0.2372 1220SOL H118763 5.822 2.207 1.458 -0.3725 1.3543 -0.2704 1220SOL H218764 5.944 2.144 1.395 -1.3334 -1.0799 0.1898 1221SOL OH218765 4.498 4.449 1.947 0.0464 0.4420 0.1449 1221SOL H118766 4.410 4.417 1.968 0.3376 -0.3023 0.2490 1221SOL H218767 4.531 4.483 2.030 -0.6686 2.0428 -0.1881 1222SOL OH218768 3.693 1.321 2.509 0.2656 0.3885 0.3017 1222SOL H118769 3.767 1.333 2.450 -0.4300 -1.8531 -1.1285 1222SOL H218770 3.622 1.290 2.453 -0.7525 -0.7771 2.1449 1223SOL OH218771 3.337 2.906 0.895 -0.0827 0.1903 0.5653 1223SOL H118772 3.381 2.844 0.837 -1.0820 0.3745 -0.4342 1223SOL H218773 3.284 2.852 0.954 -0.0384 0.0429 0.4692 1224SOL OH218774 0.514 1.497 7.635 -0.2937 -0.6946 0.4950 1224SOL H118775 0.467 1.574 7.603 -1.2020 -0.9805 1.1026 1224SOL H218776 0.507 1.503 7.730 2.9548 0.5163 0.7678 1225SOL OH218777 4.083 0.913 0.279 0.3712 -0.4705 -0.8619 1225SOL H118778 4.161 0.863 0.255 1.1843 0.0403 0.6289 1225SOL H218779 4.105 0.955 0.362 -2.8212 -3.4038 1.7852 1226SOL OH218780 2.851 4.612 8.358 0.1819 0.0890 0.0610 1226SOL H118781 2.764 4.623 8.320 -0.0651 -1.3831 0.1185 1226SOL H218782 2.885 4.701 8.369 0.1170 0.6302 -3.1812 1227SOL OH218783 2.097 5.018 1.103 0.2087 -0.1976 -0.6859 1227SOL H118784 2.142 4.945 1.144 1.9591 0.4115 -1.4098 1227SOL H218785 2.080 5.079 1.174 0.3530 -0.5319 -0.3646 1228SOL OH218786 4.730 4.599 7.216 0.5596 -0.2121 -0.1618 1228SOL H118787 4.674 4.567 7.287 -1.8250 -1.6541 -2.4859 1228SOL H218788 4.733 4.526 7.154 0.5402 1.7363 -2.6048 1229SOL OH218789 1.057 1.381 6.745 0.1090 0.1964 0.1136 1229SOL H118790 1.134 1.324 6.750 0.1404 0.2006 -0.3670 1229SOL H218791 1.022 1.379 6.834 -0.4890 -1.4113 -0.1154 1230SOL OH218792 4.621 5.886 6.577 0.1650 0.2384 -0.3432 1230SOL H118793 4.617 5.948 6.504 -0.4314 0.0524 -0.4736 1230SOL H218794 4.552 5.915 6.637 0.6682 0.4076 0.1685 1231SOL OH218795 4.122 2.986 8.121 -0.2639 -0.0976 -0.1656 1231SOL H118796 4.141 3.039 8.199 -1.0856 -3.3405 2.5148 1231SOL H218797 4.028 2.995 8.109 -0.4979 -1.1769 0.6228 1232SOL OH218798 4.331 5.723 7.548 0.3554 0.7377 0.5487 1232SOL H118799 4.301 5.716 7.458 -0.3475 2.1765 0.6468 1232SOL H218800 4.316 5.815 7.572 -0.3427 0.1955 2.4068 1233SOL OH218801 1.987 0.986 1.337 -0.4405 0.1348 0.3359 1233SOL H118802 1.939 1.019 1.413 0.2624 1.3277 0.2898 1233SOL H218803 2.070 1.034 1.339 -0.7470 0.8237 -1.6609 1234SOL OH218804 2.146 0.293 0.991 0.3732 0.9476 -0.5464 1234SOL H118805 2.102 0.377 0.978 2.7359 2.4981 0.8843 1234SOL H218806 2.198 0.280 0.911 0.4780 1.1575 -0.5128 1235SOL OH218807 2.625 4.059 1.269 -0.5549 -0.1360 0.5346 1235SOL H118808 2.620 3.988 1.332 -0.2577 -0.0033 0.7131 1235SOL H218809 2.718 4.069 1.251 -0.7355 -1.4044 -1.3571 1236SOL OH218810 2.300 3.210 1.440 0.1569 0.0043 0.2526 1236SOL H118811 2.269 3.137 1.388 1.1441 -0.3842 0.1947 1236SOL H218812 2.263 3.196 1.527 -0.7661 0.1819 -0.0970 1237SOL OH218813 2.095 5.476 8.473 0.6036 -0.0774 0.8273 1237SOL H118814 2.173 5.420 8.480 0.6563 -0.5742 -2.1959 1237SOL H218815 2.130 5.565 8.466 0.8742 -0.2185 0.3049 1238SOL OH218816 4.925 1.285 8.420 -0.4561 0.4769 -0.0695 1238SOL H118817 4.831 1.266 8.424 -0.0168 -1.9088 1.2464 1238SOL H218818 4.938 1.351 8.488 -1.2971 1.5557 -0.9241 1239SOL OH218819 4.936 3.760 0.055 -0.0238 -0.4563 -0.5097 1239SOL H118820 4.879 3.831 0.085 -0.3797 -0.5821 -0.8647 1239SOL H218821 4.939 3.772 -0.040 -0.4003 -1.1426 -0.6149 1240SOL OH218822 0.528 3.448 1.172 -0.0348 0.0047 -0.4202 1240SOL H118823 0.440 3.455 1.133 -0.0485 -0.1497 -0.4183 1240SOL H218824 0.563 3.366 1.137 -1.9157 -2.8450 3.6240 1241SOL OH218825 4.044 5.329 6.247 -0.5035 0.1971 -0.2403 1241SOL H118826 4.059 5.423 6.256 1.1496 0.0599 -1.1152 1241SOL H218827 4.131 5.293 6.226 -1.4333 -1.2707 -1.8345 1242SOL OH218828 3.070 4.450 1.594 -0.2063 -0.4045 -0.0991 1242SOL H118829 3.043 4.387 1.661 0.0212 -1.5794 -1.0560 1242SOL H218830 2.989 4.482 1.556 -0.3916 -2.4615 -1.6522 1243SOL OH218831 1.320 1.730 7.483 -0.7680 0.1927 0.6607 1243SOL H118832 1.344 1.638 7.486 -0.1922 0.3035 -0.3296 1243SOL H218833 1.247 1.738 7.545 0.6551 -0.4712 2.4846 1244SOL OH218834 4.133 4.084 6.542 -0.0493 -0.2191 -0.3494 1244SOL H118835 4.130 4.050 6.631 0.5857 0.8886 0.1113 1244SOL H218836 4.180 4.017 6.492 -0.3471 -0.8145 0.1511 1245SOL OH218837 3.989 2.093 0.764 -0.3831 -0.2244 -0.0253 1245SOL H118838 4.024 2.182 0.763 0.9620 -0.7335 -0.0997 1245SOL H218839 3.899 2.102 0.734 -0.3288 1.1365 0.1811 1246SOL OH218840 2.878 1.874 8.092 -0.0137 -0.2908 0.2339 1246SOL H118841 2.964 1.915 8.084 -0.0985 -0.4012 -1.4626 1246SOL H218842 2.892 1.802 8.153 1.9197 -2.3470 -2.4001 1247SOL OH218843 4.435 3.364 0.827 0.0204 -0.2092 0.2060 1247SOL H118844 4.443 3.442 0.882 0.2465 -0.7893 1.0116 1247SOL H218845 4.517 3.316 0.842 -0.3581 -0.8800 0.1507 1248SOL OH218846 1.171 1.732 2.460 0.2889 0.3893 0.0447 1248SOL H118847 1.175 1.682 2.541 -1.0991 -0.1468 -0.1966 1248SOL H218848 1.250 1.787 2.462 -0.0648 0.9014 2.0808 1249SOL OH218849 0.735 3.924 7.420 0.0550 -0.2363 0.6461 1249SOL H118850 0.731 3.999 7.480 0.5823 -1.2774 2.0531 1249SOL H218851 0.662 3.938 7.360 0.4248 1.6383 0.5650 1250SOL OH218852 0.442 1.929 0.117 -0.0602 -0.0093 -0.6237 1250SOL H118853 0.530 1.909 0.085 -0.1096 -1.4838 0.0652 1250SOL H218854 0.383 1.894 0.050 -0.1403 -2.2255 0.4699 1251SOL OH218855 5.643 0.467 6.803 0.4402 0.5412 -0.3543 1251SOL H118856 5.704 0.406 6.761 -0.1124 -1.5712 1.7438 1251SOL H218857 5.582 0.411 6.850 0.2938 2.7283 2.2546 1252SOL OH218858 4.024 4.858 7.644 0.7616 -0.3871 0.2950 1252SOL H118859 4.015 4.787 7.581 2.7752 0.5077 -1.0875 1252SOL H218860 4.096 4.831 7.701 0.4243 -0.1825 0.8330 1253SOL OH218861 5.271 1.465 2.468 0.7912 -0.2163 -0.1730 1253SOL H118862 5.294 1.378 2.502 1.2447 -0.0395 -0.0172 1253SOL H218863 5.341 1.522 2.500 -0.4412 0.5753 1.2622 1254SOL OH218864 5.315 1.308 1.098 0.5160 0.2092 -0.2166 1254SOL H118865 5.293 1.328 1.006 3.2743 -0.3022 -1.0845 1254SOL H218866 5.357 1.388 1.130 1.6187 -0.3934 -0.1433 1255SOL OH218867 0.634 4.564 0.645 -0.7062 -0.3338 -0.4837 1255SOL H118868 0.624 4.651 0.684 -0.1463 -0.5214 0.0910 1255SOL H218869 0.712 4.571 0.591 -0.6439 -0.4862 -0.4143 1256SOL OH218870 3.228 2.948 1.991 0.1077 0.6515 0.3694 1256SOL H118871 3.265 2.865 2.021 0.5497 1.4961 2.3095 1256SOL H218872 3.164 2.971 2.058 -1.4768 0.9334 -1.1735 1257SOL OH218873 3.921 3.150 6.359 -0.1853 -0.8752 0.1544 1257SOL H118874 3.994 3.211 6.369 -0.4063 -0.6992 0.7702 1257SOL H218875 3.843 3.205 6.367 -0.3931 -1.2731 1.0698 1258SOL OH218876 4.714 4.695 6.225 -0.4351 0.9843 -0.0417 1258SOL H118877 4.681 4.763 6.166 0.6755 1.6337 0.0636 1258SOL H218878 4.731 4.741 6.307 1.0782 0.7568 -0.2123 1259SOL OH218879 3.987 5.418 1.343 -0.2659 0.4838 0.2207 1259SOL H118880 3.926 5.392 1.413 0.7694 1.7442 1.6627 1259SOL H218881 3.942 5.490 1.298 -0.7190 0.0061 -0.1069 1260SOL OH218882 1.858 1.892 7.271 -0.4924 0.3937 -0.4147 1260SOL H118883 1.775 1.938 7.280 -0.3894 0.7543 -1.1722 1260SOL H218884 1.911 1.921 7.345 -0.6577 0.9936 -0.5298 1261SOL OH218885 4.350 4.601 7.255 0.0558 0.3381 0.7675 1261SOL H118886 4.388 4.681 7.219 -1.5617 1.4467 1.3882 1261SOL H218887 4.420 4.562 7.307 1.0308 1.0621 0.0265 1262SOL OH218888 1.001 4.534 1.013 0.4125 0.2994 -0.1202 1262SOL H118889 1.019 4.618 1.056 0.0019 0.2314 0.1885 1262SOL H218890 1.085 4.489 1.014 0.7652 0.9116 -0.7533 1263SOL OH218891 1.651 6.034 7.256 -0.5185 -0.2824 0.7925 1263SOL H118892 1.594 5.959 7.273 -1.2925 0.2142 0.4460 1263SOL H218893 1.679 6.063 7.342 -1.3427 -0.1208 1.0130 1264SOL OH218894 4.683 3.289 1.567 0.3913 0.2785 0.0543 1264SOL H118895 4.769 3.264 1.600 1.0012 3.0803 0.9182 1264SOL H218896 4.687 3.385 1.562 -2.0937 0.3844 -1.5972 1265SOL OH218897 1.724 1.975 8.167 0.2108 0.3632 -0.2284 1265SOL H118898 1.697 1.888 8.137 0.1500 0.1975 0.3041 1265SOL H218899 1.815 1.983 8.139 1.2556 -1.1464 2.4387 1266SOL OH218900 1.497 4.138 8.204 0.1566 0.2390 0.1778 1266SOL H118901 1.485 4.128 8.110 -1.0555 -0.1027 0.3495 1266SOL H218902 1.591 4.124 8.219 0.5211 1.2062 -1.0809 1267SOL OH218903 2.044 5.913 1.000 -0.2537 0.3221 -0.2034 1267SOL H118904 2.069 5.966 0.925 -0.5786 1.3254 0.3714 1267SOL H218905 1.950 5.898 0.989 -0.0917 -0.4710 -0.5592 1268SOL OH218906 0.142 0.630 0.628 0.0058 -0.1082 -0.0347 1268SOL H118907 0.168 0.716 0.661 0.7295 -1.1541 2.3594 1268SOL H218908 0.074 0.601 0.689 -0.2165 -1.2507 -0.7933 1269SOL OH218909 2.776 4.057 1.846 0.4151 -0.4435 0.2685 1269SOL H118910 2.748 4.149 1.849 0.3783 -0.4350 -0.2696 1269SOL H218911 2.805 4.043 1.756 -3.1195 -1.9584 -0.8493 1270SOL OH218912 1.515 1.705 8.328 0.2360 -0.0473 -0.1219 1270SOL H118913 1.435 1.698 8.277 0.4507 0.7492 -0.5934 1270SOL H218914 1.583 1.666 8.273 0.2245 -0.4460 0.1457 1271SOL OH218915 0.951 2.661 6.983 0.3634 0.0315 0.2746 1271SOL H118916 1.042 2.634 6.970 0.2237 0.0451 -0.8473 1271SOL H218917 0.936 2.728 6.916 -1.2850 -1.9773 -1.5504 1272SOL OH218918 4.037 1.659 0.770 0.4437 0.3612 -0.2139 1272SOL H118919 4.130 1.675 0.753 0.7407 -1.0713 -0.0509 1272SOL H218920 4.008 1.607 0.695 -0.6414 2.0830 -1.0550 1273SOL OH218921 5.064 2.688 1.666 -0.0545 0.2470 -0.3124 1273SOL H118922 5.128 2.617 1.657 -1.5426 -1.1696 -0.1396 1273SOL H218923 4.996 2.667 1.602 -2.5522 -0.8120 2.4796 1274SOL OH218924 1.424 5.727 2.214 0.3500 -0.6733 0.9624 1274SOL H118925 1.347 5.711 2.270 0.6523 -2.0357 1.0190 1274SOL H218926 1.495 5.681 2.258 1.0702 0.0426 0.5669 1275SOL OH218927 1.375 4.784 6.173 -0.2569 0.1159 0.8244 1275SOL H118928 1.292 4.753 6.136 -0.5015 -0.7749 2.0644 1275SOL H218929 1.432 4.708 6.168 0.0791 0.3471 1.1721 1276SOL OH218930 2.144 4.509 1.695 -0.0130 -0.0765 -0.2825 1276SOL H118931 2.175 4.594 1.724 0.5544 -0.2629 -0.3358 1276SOL H218932 2.194 4.490 1.615 1.4359 -1.3896 0.8595 1277SOL OH218933 0.342 0.113 6.962 -0.5750 0.1485 0.7867 1277SOL H118934 0.378 0.189 7.007 -0.7246 1.5634 -1.3489 1277SOL H218935 0.395 0.104 6.883 0.0839 -2.6230 1.4523 1278SOL OH218936 1.123 0.784 7.407 0.5186 -0.1538 0.1213 1278SOL H118937 1.056 0.800 7.473 -0.8210 -1.3033 -0.9084 1278SOL H218938 1.149 0.871 7.378 1.4444 0.3984 2.4039 1279SOL OH218939 4.199 4.351 0.768 -0.2017 0.4438 0.4098 1279SOL H118940 4.291 4.325 0.770 -0.0933 0.8502 1.6408 1279SOL H218941 4.154 4.279 0.814 -0.8279 -0.8554 -2.0895 1280SOL OH218942 3.944 2.458 1.828 0.3142 -0.2968 -0.4965 1280SOL H118943 4.029 2.466 1.873 0.8441 -1.2269 -1.2920 1280SOL H218944 3.881 2.439 1.898 0.2397 3.0161 0.5047 1281SOL OH218945 3.096 3.493 6.731 -0.3507 0.3695 -0.2537 1281SOL H118946 3.158 3.459 6.666 -1.2181 2.6486 -2.4200 1281SOL H218947 3.016 3.510 6.682 -1.6897 0.4551 1.8398 1282SOL OH218948 2.455 5.805 6.736 -0.8509 0.5134 -0.0429 1282SOL H118949 2.500 5.784 6.818 -0.3411 -0.3619 -0.5424 1282SOL H218950 2.490 5.890 6.710 -1.6784 1.2447 1.1024 1283SOL OH218951 2.830 4.234 8.481 -0.2141 0.0165 -0.3392 1283SOL H118952 2.886 4.311 8.475 0.3001 -0.3744 -0.6935 1283SOL H218953 2.779 4.234 8.400 0.7139 -0.7089 -0.9397 1284SOL OH218954 1.758 4.350 1.640 -0.1212 -0.3210 0.7396 1284SOL H118955 1.702 4.273 1.630 -0.2489 -0.4054 2.0041 1284SOL H218956 1.847 4.313 1.647 0.2405 -0.1605 -1.8774 1285SOL OH218957 4.401 5.681 0.018 -0.1063 0.2395 -0.5928 1285SOL H118958 4.433 5.738 0.088 -1.7462 -1.6400 1.8628 1285SOL H218959 4.326 5.727 -0.018 0.4804 1.0344 -0.8090 1286SOL OH218960 0.589 3.812 6.692 -0.2442 -0.1338 0.0612 1286SOL H118961 0.532 3.807 6.616 0.1826 -0.2989 -0.2556 1286SOL H218962 0.576 3.900 6.727 -0.2012 0.0568 -0.3973 1287SOL OH218963 4.468 0.789 8.288 -0.1819 0.3325 -0.1005 1287SOL H118964 4.556 0.783 8.251 -0.7623 0.7133 -1.6677 1287SOL H218965 4.455 0.883 8.303 -0.1928 0.2420 0.4634 1288SOL OH218966 0.130 3.119 2.699 0.1428 0.0404 -0.3639 1288SOL H118967 0.187 3.179 2.651 1.0781 -0.3251 0.2521 1288SOL H218968 0.169 3.033 2.684 -1.6905 -0.5607 -1.9646 1289SOL OH218969 4.542 0.878 7.672 -0.0902 -0.4630 0.1374 1289SOL H118970 4.516 0.920 7.754 3.5659 0.7600 0.8120 1289SOL H218971 4.525 0.785 7.687 0.7720 -0.3018 2.4405 1290SOL OH218972 1.054 0.077 0.661 0.0614 0.7495 0.5630 1290SOL H118973 1.108 0.011 0.705 1.2374 0.2930 -1.4364 1290SOL H218974 1.043 0.043 0.572 -2.4877 1.4769 0.5190 1291SOL OH218975 1.600 0.043 1.053 -0.3747 -0.1888 0.3779 1291SOL H118976 1.567 0.118 1.003 -0.1710 -0.1689 0.2729 1291SOL H218977 1.536 0.031 1.123 -0.4947 -0.0187 0.2986 1292SOL OH218978 4.449 3.908 0.920 -1.0658 0.7460 -0.0656 1292SOL H118979 4.361 3.872 0.930 -1.0436 0.4074 -1.0044 1292SOL H218980 4.446 3.992 0.965 -1.5626 0.2622 0.8177 1293SOL OH218981 4.458 5.575 7.245 -0.4595 -0.0375 0.3343 1293SOL H118982 4.423 5.544 7.162 -1.2698 -1.3728 1.1251 1293SOL H218983 4.444 5.669 7.244 1.3049 0.2707 -1.8298 1294SOL OH218984 0.267 2.695 1.915 -0.3203 -0.8715 -0.5897 1294SOL H118985 0.335 2.750 1.875 0.5096 -2.3138 -1.2469 1294SOL H218986 0.283 2.702 2.009 -0.3109 0.0999 -0.6550 1295SOL OH218987 5.022 3.222 1.393 0.4872 0.0996 0.0105 1295SOL H118988 5.042 3.254 1.481 1.5854 -1.8307 0.5007 1295SOL H218989 5.104 3.228 1.345 0.4612 -0.9569 -0.1923 1296SOL OH218990 2.748 4.686 6.915 0.0262 0.1698 0.5987 1296SOL H118991 2.779 4.662 7.002 1.8132 0.5828 0.1242 1296SOL H218992 2.762 4.780 6.909 1.2031 -0.0384 -0.5664 1297SOL OH218993 2.102 2.312 6.605 -0.0937 -0.9943 0.5438 1297SOL H118994 2.123 2.376 6.537 0.8165 -1.5146 0.3185 1297SOL H218995 2.186 2.272 6.627 -0.4056 -0.9814 1.8420 1298SOL OH218996 3.753 3.719 1.313 -0.3805 0.0237 0.0429 1298SOL H118997 3.804 3.773 1.374 1.4323 -1.5523 0.0222 1298SOL H218998 3.742 3.636 1.360 0.6217 -1.0501 -1.5172 1299SOL OH218999 0.658 1.793 8.457 0.5931 0.7038 -0.5479 1299SOL H119000 0.671 1.707 8.418 -0.9909 -0.1064 0.5872 1299SOL H219001 0.742 1.813 8.499 0.4802 -1.1112 0.6474 1300SOL OH219002 1.978 2.024 8.097 0.1967 -0.5768 0.1737 1300SOL H119003 2.046 1.988 8.154 -2.0595 -2.1522 2.0660 1300SOL H219004 2.006 2.113 8.079 2.8029 -1.2068 0.7573 1301SOL OH219005 5.850 3.283 1.848 0.1009 -0.4568 0.3571 1301SOL H119006 5.825 3.348 1.914 -0.8096 -0.6820 0.2347 1301SOL H219007 5.921 3.325 1.800 -1.8965 1.4148 -1.1620 1302SOL OH219008 5.949 5.036 1.463 0.5238 0.5054 0.4449 1302SOL H119009 6.002 5.085 1.527 -0.3659 -0.6296 2.1309 1302SOL H219010 5.909 4.966 1.514 -3.1466 1.6572 -0.5310 1303SOL OH219011 5.347 2.885 7.160 0.4270 -0.1165 -0.1897 1303SOL H119012 5.287 2.944 7.204 -1.2700 -1.2068 -0.9515 1303SOL H219013 5.316 2.797 7.183 -0.4155 -0.7422 -3.2940 1304SOL OH219014 5.792 3.483 0.545 0.5335 -0.2115 -0.2042 1304SOL H119015 5.777 3.578 0.551 -0.6253 -0.3604 -0.5897 1304SOL H219016 5.864 3.475 0.482 0.9615 0.4219 0.1795 1305SOL OH219017 0.421 1.742 7.544 -0.4699 0.0683 0.4157 1305SOL H119018 0.496 1.772 7.492 -0.6309 1.5577 0.9998 1305SOL H219019 0.347 1.744 7.483 -0.1953 -0.6842 0.0392 1306SOL OH219020 0.044 3.248 0.102 0.0700 0.7698 0.5375 1306SOL H119021 0.016 3.339 0.098 -1.7189 0.1983 -2.1361 1306SOL H219022 0.043 3.218 0.011 2.3171 -1.4590 1.1386 1307SOL OH219023 0.180 2.789 1.436 0.1667 -0.3471 -0.3150 1307SOL H119024 0.142 2.870 1.401 -1.2598 -0.9708 -0.3148 1307SOL H219025 0.258 2.816 1.482 0.5282 0.8567 -1.5690 1308SOL OH219026 5.077 4.024 1.542 0.3535 -0.3811 0.2029 1308SOL H119027 5.124 3.966 1.602 -1.2391 -1.1966 0.7340 1308SOL H219028 5.032 4.086 1.599 -0.1449 -0.3608 -0.2047 1309SOL OH219029 3.793 1.562 7.908 -0.2474 0.4814 -0.8774 1309SOL H119030 3.887 1.575 7.893 0.0453 0.6912 0.9573 1309SOL H219031 3.788 1.490 7.970 -1.1783 1.7286 0.5643 1310SOL OH219032 5.897 4.141 7.895 1.0392 0.2016 0.3810 1310SOL H119033 5.817 4.139 7.843 1.0496 0.8755 0.3330 1310SOL H219034 5.875 4.198 7.969 1.4903 0.4329 0.3384 1311SOL OH219035 4.280 5.579 7.778 0.2287 -0.5131 -1.5970 1311SOL H119036 4.218 5.511 7.753 -0.6375 -0.3500 0.0001 1311SOL H219037 4.310 5.616 7.695 -1.1308 -1.2063 -2.4239 1312SOL OH219038 1.744 5.595 0.622 0.2001 0.5456 -0.2804 1312SOL H119039 1.724 5.505 0.650 -0.3810 0.8256 0.2361 1312SOL H219040 1.686 5.610 0.547 -1.7690 1.4104 1.3110 1313SOL OH219041 3.200 5.144 0.073 -0.1343 0.7545 -0.3920 1313SOL H119042 3.216 5.236 0.054 -1.4324 1.5202 1.9127 1313SOL H219043 3.283 5.101 0.051 1.7163 2.9908 1.5413 1314SOL OH219044 2.039 0.990 0.988 0.8162 -0.2813 0.0598 1314SOL H119045 2.079 1.033 0.912 0.6046 -0.8282 -0.3640 1314SOL H219046 2.067 1.043 1.062 -0.7127 1.5395 -0.5816 1315SOL OH219047 5.026 2.850 7.091 0.3283 -0.5433 -0.9186 1315SOL H119048 4.982 2.768 7.112 -2.5671 0.7797 -1.2848 1315SOL H219049 5.070 2.874 7.173 -1.0720 -1.1709 0.0819 1316SOL OH219050 3.487 4.309 0.963 -0.8096 -0.3955 0.0904 1316SOL H119051 3.402 4.335 0.999 -0.9388 1.5924 -1.4538 1316SOL H219052 3.465 4.254 0.888 -0.6083 -2.1836 1.2835 1317SOL OH219053 0.853 2.399 6.663 -0.8040 -0.1883 0.1054 1317SOL H119054 0.764 2.367 6.651 -1.0230 0.3209 0.3369 1317SOL H219055 0.864 2.404 6.758 -1.2776 1.7442 0.1074 1318SOL OH219056 4.231 0.416 0.131 0.2610 0.0418 0.4494 1318SOL H119057 4.284 0.480 0.082 1.9852 -2.0023 -0.5089 1318SOL H219058 4.222 0.455 0.218 2.1243 1.1575 0.2124 1319SOL OH219059 4.822 1.064 7.407 0.6462 0.1809 -0.7652 1319SOL H119060 4.834 0.988 7.350 2.6904 1.1187 -1.6834 1319SOL H219061 4.729 1.087 7.396 0.6834 -0.4210 -2.7799 1320SOL OH219062 3.548 5.894 1.108 0.5718 -0.4755 -0.1456 1320SOL H119063 3.501 5.947 1.172 0.0138 -0.6131 -0.4324 1320SOL H219064 3.618 5.951 1.075 1.0416 -0.5008 0.7824 1321SOL OH219065 3.272 2.908 1.325 0.3802 -0.5948 0.3536 1321SOL H119066 3.343 2.946 1.376 0.1649 -0.4318 0.5309 1321SOL H219067 3.216 2.982 1.303 -1.6389 -1.1199 3.1653 1322SOL OH219068 5.672 0.827 7.363 -0.1719 0.3485 -0.1218 1322SOL H119069 5.705 0.738 7.353 0.2852 0.4096 0.7874 1322SOL H219070 5.676 0.864 7.274 0.7098 -0.1569 -0.2962 1323SOL OH219071 5.008 4.251 7.888 -0.3305 0.2144 0.2002 1323SOL H119072 5.052 4.174 7.924 0.2768 -0.9335 -2.7727 1323SOL H219073 5.078 4.307 7.855 -0.8531 -0.9595 -3.2788 1324SOL OH219074 3.023 1.768 2.364 0.5178 0.0583 -0.0823 1324SOL H119075 3.036 1.839 2.302 3.8554 -1.1142 -0.9303 1324SOL H219076 3.012 1.811 2.449 -3.8835 1.6950 -1.2008 1325SOL OH219077 1.733 5.380 1.234 0.4593 0.4397 0.3647 1325SOL H119078 1.641 5.385 1.207 -0.2365 -0.6523 2.3393 1325SOL H219079 1.741 5.294 1.275 2.7889 -0.1494 -1.1392 1326SOL OH219080 3.090 4.120 7.974 0.3635 -0.3135 0.8735 1326SOL H119081 3.030 4.050 7.951 -0.3076 0.6997 -0.6531 1326SOL H219082 3.047 4.166 8.046 -1.5309 1.2757 -1.1125 1327SOL OH219083 3.259 3.344 0.041 0.0241 0.1421 -0.1800 1327SOL H119084 3.208 3.301 0.109 0.1866 0.3439 0.0732 1327SOL H219085 3.292 3.424 0.083 2.0758 -0.8562 0.2454 1328SOL OH219086 0.456 5.301 7.799 0.2063 -0.1041 -0.6437 1328SOL H119087 0.471 5.318 7.892 0.9969 -0.5033 -0.6943 1328SOL H219088 0.543 5.303 7.759 -0.0993 -0.1877 -1.3360 1329SOL OH219089 3.115 0.360 6.779 0.3713 0.0779 -0.0216 1329SOL H119090 3.048 0.352 6.711 2.6328 -0.0268 -2.4405 1329SOL H219091 3.187 0.304 6.748 1.4698 -0.1029 2.6027 1330SOL OH219092 0.130 1.849 0.061 0.1533 0.3727 -0.0879 1330SOL H119093 0.050 1.846 0.114 -0.1536 -0.4947 -0.5731 1330SOL H219094 0.117 1.924 0.002 -0.4469 0.0616 -0.3656 1331SOL OH219095 0.148 3.528 1.997 -0.4931 -0.2082 -0.0793 1331SOL H119096 0.089 3.530 2.072 1.9933 -1.0653 2.0503 1331SOL H219097 0.189 3.615 1.995 -0.2306 -0.3298 -0.1465 1332SOL OH219098 0.912 0.322 8.200 0.1729 0.3820 0.7347 1332SOL H119099 0.917 0.410 8.237 -1.1696 1.0230 -0.5273 1332SOL H219100 0.850 0.276 8.257 -1.8181 1.3385 -0.5736 1333SOL OH219101 2.946 1.565 6.573 -0.9264 0.3405 -0.0728 1333SOL H119102 2.953 1.510 6.495 -1.0568 0.3718 -0.1071 1333SOL H219103 2.868 1.532 6.619 0.7945 -1.6629 1.5989 1334SOL OH219104 5.657 3.903 1.417 0.1177 -0.2820 -0.4157 1334SOL H119105 5.593 3.831 1.415 0.2893 -0.4885 0.7909 1334SOL H219106 5.684 3.908 1.508 1.3257 0.2582 -0.7859 1335SOL OH219107 4.096 2.555 2.037 -0.1140 -0.1942 0.2995 1335SOL H119108 4.022 2.614 2.055 -0.9094 -1.5780 1.8578 1335SOL H219109 4.164 2.583 2.099 0.0055 -0.0588 0.1070 1336SOL OH219110 4.792 0.246 7.640 0.2094 0.2189 0.5041 1336SOL H119111 4.864 0.183 7.647 2.4736 2.5444 -0.4264 1336SOL H219112 4.784 0.283 7.728 1.9420 1.6831 0.1189 1337SOL OH219113 4.520 0.330 7.595 -0.1406 0.5577 -0.2557 1337SOL H119114 4.508 0.317 7.501 -0.3769 -1.6747 0.0272 1337SOL H219115 4.614 0.315 7.610 -0.3560 -0.5439 0.0447 1338SOL OH219116 2.907 0.264 0.264 0.0004 -0.0451 0.2614 1338SOL H119117 2.973 0.205 0.229 -1.1516 0.9748 -4.3179 1338SOL H219118 2.837 0.263 0.198 -2.3488 2.5811 2.4663 1339SOL OH219119 2.845 4.546 0.573 0.1077 0.8805 0.3972 1339SOL H119120 2.821 4.540 0.481 0.5037 -0.3067 0.3455 1339SOL H219121 2.888 4.631 0.581 2.2946 0.0087 -1.0910 1340SOL OH219122 2.463 0.614 1.859 0.2345 -0.6801 0.0831 1340SOL H119123 2.478 0.709 1.856 0.8640 -0.7761 -2.1658 1340SOL H219124 2.523 0.582 1.926 3.1480 0.1389 -1.8949 1341SOL OH219125 0.588 4.490 1.803 -0.2672 -0.3487 1.1117 1341SOL H119126 0.645 4.567 1.813 -0.6193 -0.2136 2.1831 1341SOL H219127 0.640 4.417 1.835 0.1217 -0.6003 -0.0475 1342SOL OH219128 0.127 3.228 6.917 0.5234 0.0834 0.2706 1342SOL H119129 0.133 3.306 6.862 -0.5264 -0.6899 -0.9715 1342SOL H219130 0.200 3.173 6.888 -0.7946 -0.9088 -1.3681 1343SOL OH219131 0.666 2.981 0.949 0.3550 -0.1388 -0.2890 1343SOL H119132 0.729 2.925 0.903 0.1211 -2.2473 1.7708 1343SOL H219133 0.588 2.927 0.958 -0.1934 0.8224 1.0580 1344SOL OH219134 4.627 1.035 1.882 0.1420 0.1929 0.0847 1344SOL H119135 4.642 0.991 1.798 -0.5818 0.5873 -0.2616 1344SOL H219136 4.541 1.005 1.910 1.0248 -1.1957 1.5017 1345SOL OH219137 4.284 1.936 7.731 -0.3770 -0.3246 -0.8520 1345SOL H119138 4.373 1.924 7.765 -0.4600 -1.3471 -0.9664 1345SOL H219139 4.259 2.023 7.760 0.8329 0.1629 -1.1924 1346SOL OH219140 5.655 0.891 1.377 -1.1815 -0.2228 0.0245 1346SOL H119141 5.690 0.818 1.326 0.5268 0.9883 -0.6099 1346SOL H219142 5.716 0.901 1.450 -1.0910 0.9111 -0.1914 1347SOL OH219143 4.854 0.492 1.110 0.1528 0.3508 -0.9523 1347SOL H119144 4.880 0.450 1.028 0.7649 1.4000 -1.3191 1347SOL H219145 4.853 0.586 1.090 0.9409 0.6828 0.4010 1348SOL OH219146 2.158 1.809 7.128 0.3443 -0.4573 -0.3512 1348SOL H119147 2.244 1.852 7.126 0.0232 0.2001 -0.4668 1348SOL H219148 2.118 1.838 7.210 -0.4645 0.6874 -1.1042 1349SOL OH219149 2.983 0.335 2.138 0.2162 0.0607 -0.7504 1349SOL H119150 3.022 0.287 2.211 2.0219 0.0896 -1.6391 1349SOL H219151 2.970 0.424 2.172 0.4407 -0.0805 -0.2827 1350SOL OH219152 4.802 3.344 7.696 -0.3028 0.5832 -0.1982 1350SOL H119153 4.874 3.281 7.705 -1.2361 -1.0093 -2.8056 1350SOL H219154 4.798 3.363 7.603 -1.7534 2.5554 0.2012 1351SOL OH219155 2.586 1.769 1.873 0.1440 0.2499 -0.3491 1351SOL H119156 2.660 1.711 1.891 0.8729 0.8734 -1.2074 1351SOL H219157 2.626 1.848 1.836 -0.8763 1.0110 0.1135 1352SOL OH219158 4.813 4.616 0.302 0.3075 -0.1393 -0.0199 1352SOL H119159 4.844 4.625 0.212 1.0633 0.2069 0.2604 1352SOL H219160 4.839 4.698 0.345 0.9876 -0.7551 0.7944 1353SOL OH219161 3.091 3.293 8.260 -0.1990 0.6793 -0.3615 1353SOL H119162 3.135 3.341 8.330 -0.9387 0.2799 0.3985 1353SOL H219163 3.082 3.204 8.295 -0.5129 0.4536 -1.0001 1354SOL OH219164 1.318 5.713 7.975 -0.4921 -0.3052 -0.6413 1354SOL H119165 1.263 5.789 7.955 -0.4679 -0.4636 -1.3435 1354SOL H219166 1.262 5.637 7.960 -1.5107 -0.4502 2.9915 1355SOL OH219167 3.423 3.468 1.407 0.3449 -0.3848 0.3805 1355SOL H119168 3.444 3.388 1.359 -0.9137 -1.3134 1.3201 1355SOL H219169 3.506 3.495 1.445 0.6755 -1.5947 0.5629 1356SOL OH219170 2.673 0.057 1.455 -0.2418 -1.2428 -0.4712 1356SOL H119171 2.765 0.075 1.438 -0.6217 0.8381 -0.5117 1356SOL H219172 2.629 0.073 1.372 -0.7103 -1.7660 -0.3328 1357SOL OH219173 5.128 1.180 7.005 0.3432 0.1566 0.1984 1357SOL H119174 5.175 1.259 7.032 -0.6740 1.1753 -0.8718 1357SOL H219175 5.092 1.145 7.086 -0.5436 1.7259 0.5361 1358SOL OH219176 0.153 5.495 0.040 -0.0055 0.4242 0.5755 1358SOL H119177 0.219 5.438 0.001 1.1020 0.4325 2.3424 1358SOL H219178 0.188 5.583 0.028 -1.2847 0.7254 -1.3429 1359SOL OH219179 0.565 4.287 1.188 0.0767 -0.7504 0.4380 1359SOL H119180 0.531 4.215 1.135 2.4758 -1.4848 -0.2137 1359SOL H219181 0.526 4.273 1.274 1.2100 -3.4823 0.6185 1360SOL OH219182 0.838 0.459 7.403 0.5281 -0.4552 -0.3407 1360SOL H119183 0.769 0.524 7.397 2.0118 1.0729 -2.0650 1360SOL H219184 0.889 0.485 7.480 -0.6470 -1.4945 0.8399 1361SOL OH219185 0.714 5.395 7.967 -0.6439 0.2895 -0.5381 1361SOL H119186 0.768 5.455 7.917 1.1323 2.1162 3.2253 1361SOL H219187 0.665 5.450 8.028 0.9440 -1.8820 3.0248 1362SOL OH219188 5.149 4.509 1.997 -0.9659 -0.4878 -0.1132 1362SOL H119189 5.145 4.542 2.087 -0.5565 0.1493 -0.3239 1362SOL H219190 5.212 4.567 1.953 -0.1436 -1.6096 -0.4592 1363SOL OH219191 0.160 1.741 0.379 0.0524 0.4865 -0.1523 1363SOL H119192 0.148 1.647 0.362 -2.8870 0.1624 2.7483 1363SOL H219193 0.118 1.784 0.304 -1.8131 -0.6385 0.1887 1364SOL OH219194 3.460 3.689 7.222 0.7848 0.4113 -0.6133 1364SOL H119195 3.434 3.767 7.272 -1.2930 1.0690 -2.5466 1364SOL H219196 3.402 3.620 7.255 -0.3344 0.7589 -1.7771 1365SOL OH219197 3.938 5.572 0.633 0.3649 -0.6391 -0.1031 1365SOL H119198 3.964 5.664 0.645 -1.5470 -0.2384 1.5417 1365SOL H219199 3.949 5.556 0.539 2.6868 0.6185 -0.1107 1366SOL OH219200 1.164 1.639 8.041 0.4397 0.2466 -0.5073 1366SOL H119201 1.209 1.587 8.108 -0.0914 0.1365 -0.2315 1366SOL H219202 1.099 1.690 8.090 1.5806 1.9105 -0.6265 1367SOL OH219203 5.280 4.605 1.589 -0.2064 0.6474 0.3104 1367SOL H119204 5.365 4.637 1.558 1.1196 -1.1194 1.8251 1367SOL H219205 5.215 4.659 1.544 1.7119 1.9818 -0.9996 1368SOL OH219206 1.929 4.783 6.932 0.1800 -0.3840 -0.1196 1368SOL H119207 1.951 4.699 6.973 -2.1882 -0.9478 0.1765 1368SOL H219208 1.917 4.762 6.840 -1.8251 -0.7524 0.1736 1369SOL OH219209 5.666 5.912 1.430 -0.1395 -0.8749 0.2241 1369SOL H119210 5.701 5.833 1.471 -0.8391 -0.3710 1.9024 1369SOL H219211 5.720 5.983 1.466 -0.2391 -0.4839 -0.3874 1370SOL OH219212 2.075 1.755 6.858 -0.2476 -0.0773 -0.2409 1370SOL H119213 2.156 1.740 6.808 0.6263 -1.5546 1.4845 1370SOL H219214 2.105 1.763 6.949 -2.0001 -0.1245 0.3765 1371SOL OH219215 3.368 1.646 0.096 0.5330 0.5425 -0.1383 1371SOL H119216 3.438 1.597 0.139 1.0231 -0.0724 -1.5628 1371SOL H219217 3.360 1.605 0.010 -1.2715 0.9085 -0.1814 1372SOL OH219218 4.254 4.355 7.527 -0.6571 -0.7215 -0.1068 1372SOL H119219 4.255 4.368 7.622 -1.1891 -0.5073 -0.1257 1372SOL H219220 4.182 4.410 7.496 0.0268 -0.1530 -0.7295 1373SOL OH219221 5.574 0.142 7.927 0.1471 -0.0597 -0.4907 1373SOL H119222 5.552 0.102 8.011 1.2131 -1.9697 -1.0611 1373SOL H219223 5.550 0.076 7.862 2.2049 0.0772 -1.4669 1374SOL OH219224 3.549 4.552 7.393 -0.7336 0.2460 0.0989 1374SOL H119225 3.614 4.575 7.459 -0.6469 -0.2181 0.1764 1374SOL H219226 3.467 4.592 7.424 -0.1196 2.5177 -0.9649 1375SOL OH219227 3.834 1.530 0.212 0.2982 -0.3410 0.7508 1375SOL H119228 3.837 1.625 0.205 1.8129 -0.3356 1.1051 1375SOL H219229 3.744 1.510 0.238 -0.6371 0.8177 -1.3903 1376SOL OH219230 1.802 2.683 6.527 0.3776 0.3623 0.4115 1376SOL H119231 1.861 2.646 6.461 2.3421 1.8188 1.2614 1376SOL H219232 1.731 2.722 6.476 -0.4650 -2.2319 -0.5964 1377SOL OH219233 3.778 0.098 1.742 0.1455 0.0998 -0.7732 1377SOL H119234 3.779 0.179 1.794 0.2287 -0.2052 -0.2952 1377SOL H219235 3.850 0.046 1.778 -0.7842 -0.7784 -0.1234 1378SOL OH219236 2.310 4.143 7.483 0.1996 -0.3268 -0.1437 1378SOL H119237 2.344 4.232 7.496 -0.7346 0.2563 -1.4520 1378SOL H219238 2.370 4.104 7.419 0.1557 -0.3519 -0.1700 1379SOL OH219239 0.698 1.853 1.514 -0.4843 -0.2826 -0.2794 1379SOL H119240 0.703 1.938 1.557 -0.5330 -0.3061 -0.2276 1379SOL H219241 0.606 1.829 1.517 -0.2487 -1.1804 1.3662 1380SOL OH219242 5.783 0.244 0.122 -0.1573 -0.6250 0.1975 1380SOL H119243 5.739 0.161 0.103 0.6164 -0.9286 -0.3487 1380SOL H219244 5.747 0.306 0.059 -1.6467 -0.2091 1.4138 1381SOL OH219245 4.611 1.993 8.408 0.0301 -0.3073 0.3616 1381SOL H119246 4.661 2.059 8.457 -0.1089 0.6639 -0.7494 1381SOL H219247 4.527 1.988 8.452 -0.7944 1.9465 -0.8135 1382SOL OH219248 2.338 4.432 7.335 -0.3430 -0.2838 0.0044 1382SOL H119249 2.418 4.433 7.387 -0.2460 -0.7814 -0.1335 1382SOL H219250 2.367 4.412 7.246 -0.7131 -1.4646 0.1280 1383SOL OH219251 3.873 1.176 2.090 -0.0667 -0.2658 0.1881 1383SOL H119252 3.844 1.188 2.000 1.2046 -0.9609 -0.3433 1383SOL H219253 3.879 1.265 2.125 -0.4768 0.0183 -0.4326 1384SOL OH219254 0.262 0.867 7.424 -0.8056 0.1572 0.1181 1384SOL H119255 0.218 0.816 7.492 -1.7620 1.8600 0.8374 1384SOL H219256 0.288 0.802 7.358 -1.4960 -1.3038 1.2340 1385SOL OH219257 1.702 4.038 0.312 -1.0402 0.1194 -0.2318 1385SOL H119258 1.779 4.006 0.266 -2.5077 -1.7150 -1.5692 1385SOL H219259 1.709 4.001 0.400 1.2794 2.8447 0.8862 1386SOL OH219260 3.873 5.055 6.744 0.1993 0.5237 0.4116 1386SOL H119261 3.956 5.098 6.721 -1.2266 2.0263 -2.5829 1386SOL H219262 3.806 5.118 6.716 -2.0135 -0.4036 3.1948 1387SOL OH219263 0.594 2.430 2.154 0.0822 -0.7785 0.7067 1387SOL H119264 0.664 2.493 2.138 1.4516 -2.4068 -0.0423 1387SOL H219265 0.639 2.347 2.172 -1.6161 -2.1180 -0.7288 1388SOL OH219266 3.634 3.360 7.867 -0.1473 -0.2114 -0.3293 1388SOL H119267 3.588 3.361 7.783 -0.5474 0.5159 -0.1075 1388SOL H219268 3.568 3.387 7.931 0.4444 0.3515 0.0601 1389SOL OH219269 4.558 4.888 1.515 -0.2808 -0.5306 0.2413 1389SOL H119270 4.613 4.955 1.555 -1.4848 0.1766 0.7853 1389SOL H219271 4.599 4.871 1.430 -0.6634 1.9085 -0.5193 1390SOL OH219272 2.595 0.935 8.409 -0.1445 0.0056 -0.0416 1390SOL H119273 2.526 0.888 8.363 -0.0930 -0.5736 0.4541 1390SOL H219274 2.624 0.875 8.477 -0.3681 0.9154 0.8874 1391SOL OH219275 4.059 2.634 1.399 -0.0457 0.3292 -0.0337 1391SOL H119276 3.992 2.684 1.445 -1.2148 -1.0285 -0.1915 1391SOL H219277 4.022 2.618 1.312 1.3756 1.3178 -0.8598 1392SOL OH219278 3.500 2.591 1.656 -0.1406 -0.3836 0.1230 1392SOL H119279 3.475 2.628 1.572 0.0870 -1.4348 -0.4227 1392SOL H219280 3.588 2.625 1.673 -0.3839 0.2286 0.1928 1393SOL OH219281 0.346 1.605 2.469 0.4085 0.1980 -0.1529 1393SOL H119282 0.253 1.627 2.477 -0.2593 -2.6394 0.8588 1393SOL H219283 0.380 1.611 2.558 0.5181 -1.3177 -0.0679 1394SOL OH219284 3.950 5.813 8.216 -0.3217 0.0589 0.0742 1394SOL H119285 3.942 5.773 8.129 -1.8594 1.4568 -0.4691 1394SOL H219286 3.959 5.739 8.276 -1.5180 -1.0381 -1.0550 1395SOL OH219287 5.560 0.813 8.182 0.5603 -0.1457 -0.4935 1395SOL H119288 5.478 0.769 8.203 0.1326 0.5142 -0.7625 1395SOL H219289 5.597 0.837 8.267 1.4370 -2.1180 -0.2597 1396SOL OH219290 3.873 3.909 0.566 -0.1596 -0.0081 -0.0695 1396SOL H119291 3.947 3.864 0.606 -0.3803 -1.2714 -1.0239 1396SOL H219292 3.884 4.001 0.591 1.2359 -0.3146 0.5202 1397SOL OH219293 1.586 1.706 7.589 -1.2191 -0.6041 0.1962 1397SOL H119294 1.662 1.760 7.611 -1.5330 0.1952 -0.6282 1397SOL H219295 1.514 1.769 7.577 -1.9109 -1.3085 0.5078 1398SOL OH219296 0.162 0.870 1.267 0.4342 -0.2388 -0.1933 1398SOL H119297 0.217 0.801 1.305 -1.9032 -2.0444 0.1364 1398SOL H219298 0.115 0.827 1.196 -2.2903 0.4982 1.0462 1399SOL OH219299 4.629 3.580 0.604 -0.2177 0.4618 -0.6670 1399SOL H119300 4.679 3.499 0.597 -0.9443 0.0799 -1.9043 1399SOL H219301 4.631 3.602 0.697 1.6210 0.0846 -0.5906 1400SOL OH219302 2.968 1.736 0.281 -0.0598 0.4799 -1.0324 1400SOL H119303 3.061 1.714 0.270 0.0110 0.3061 -0.1619 1400SOL H219304 2.922 1.663 0.240 0.1905 0.1578 -0.7535 1401SOL OH219305 1.386 3.940 7.696 -0.4240 0.1368 0.0591 1401SOL H119306 1.362 3.934 7.604 0.6312 -0.5772 -0.1876 1401SOL H219307 1.476 3.973 7.695 0.3418 -1.7704 0.7173 1402SOL OH219308 -0.020 3.697 7.421 -0.3009 0.0783 0.3729 1402SOL H119309 0.068 3.702 7.384 -1.0848 0.9176 -1.5024 1402SOL H219310 -0.018 3.755 7.497 0.6802 0.3508 0.1488 1403SOL OH219311 2.283 0.085 0.473 -0.1116 -0.3611 0.0162 1403SOL H119312 2.360 0.076 0.529 0.6145 1.7202 -0.5643 1403SOL H219313 2.309 0.047 0.389 0.7020 1.1830 -0.4836 1404SOL OH219314 3.302 3.835 1.760 -0.4467 0.3067 -0.5603 1404SOL H119315 3.374 3.809 1.817 0.8490 1.8902 -1.3840 1404SOL H219316 3.228 3.845 1.819 0.1965 -0.6072 0.4343 1405SOL OH219317 0.105 0.275 6.835 -0.8880 0.7331 -0.2641 1405SOL H119318 0.155 0.258 6.915 1.8739 0.8098 -1.8820 1405SOL H219319 0.117 0.368 6.819 -0.8275 0.5729 -1.1653 1406SOL OH219320 1.947 2.525 8.062 -0.0790 -0.2626 0.4816 1406SOL H119321 1.978 2.605 8.105 -1.3915 -0.4402 1.8323 1406SOL H219322 1.937 2.549 7.970 1.6788 0.4730 0.4399 1407SOL OH219323 0.677 4.558 7.499 -0.1203 0.1887 -0.0362 1407SOL H119324 0.638 4.509 7.427 -0.1096 -0.3905 0.3479 1407SOL H219325 0.604 4.581 7.556 0.1765 -1.9601 1.3312 1408SOL OH219326 0.313 4.850 6.069 -0.2154 -0.4965 0.2920 1408SOL H119327 0.403 4.865 6.097 -1.4524 0.7822 4.2153 1408SOL H219328 0.316 4.767 6.021 3.4725 1.1481 -2.8121 1409SOL OH219329 5.852 5.277 6.105 -0.1087 -0.2946 0.2068 1409SOL H119330 5.774 5.276 6.161 -0.3687 1.0767 -0.0952 1409SOL H219331 5.854 5.366 6.069 1.2055 -0.5310 -0.3410 1410SOL OH219332 2.971 4.120 7.422 -0.2189 0.0539 0.4279 1410SOL H119333 2.940 4.071 7.345 1.1164 1.3543 -1.0299 1410SOL H219334 2.997 4.052 7.484 -2.6144 -1.0495 0.3438 1411SOL OH219335 0.999 0.849 1.496 -0.2576 -0.1141 -0.0957 1411SOL H119336 1.033 0.784 1.558 1.5533 0.1668 -0.7559 1411SOL H219337 0.924 0.888 1.542 -0.8733 -2.0248 0.6682 1412SOL OH219338 3.875 4.419 7.596 0.0511 -0.8092 0.4615 1412SOL H119339 3.824 4.499 7.606 1.2044 0.0334 -0.1765 1412SOL H219340 3.812 4.349 7.610 -1.5671 0.1632 -1.4728 1413SOL OH219341 2.353 3.108 8.246 0.1516 0.3141 0.7230 1413SOL H119342 2.394 3.166 8.182 1.8657 -1.9987 -0.4766 1413SOL H219343 2.352 3.158 8.328 -0.6025 2.7792 -0.7005 1414SOL OH219344 2.003 4.040 0.695 -0.0998 0.8315 1.1846 1414SOL H119345 2.038 4.026 0.607 1.4746 2.5449 1.4933 1414SOL H219346 2.068 4.002 0.753 0.3271 2.2570 1.6844 1415SOL OH219347 5.918 4.331 0.230 0.0130 -0.3761 0.1048 1415SOL H119348 5.871 4.266 0.283 -0.0613 0.7812 1.5070 1415SOL H219349 6.002 4.289 0.210 0.1224 -0.7746 1.3078 1416SOL OH219350 3.563 2.573 6.936 -0.2929 0.3335 -0.0795 1416SOL H119351 3.597 2.595 6.849 -0.5329 -0.8547 -0.4980 1416SOL H219352 3.534 2.656 6.973 3.0271 1.4892 0.3172 1417SOL OH219353 2.116 2.859 7.516 -0.0472 0.3869 -0.2053 1417SOL H119354 2.191 2.907 7.550 -0.7915 1.0100 0.6064 1417SOL H219355 2.104 2.786 7.577 -1.2873 1.4150 0.8381 1418SOL OH219356 0.008 3.885 7.607 -0.0867 0.1985 -0.1268 1418SOL H119357 0.066 3.961 7.607 1.8798 -1.1820 1.4131 1418SOL H219358 -0.041 3.891 7.688 1.6186 -1.1610 1.0886 1419SOL OH219359 2.695 1.309 8.469 -0.3408 -0.3723 -0.1766 1419SOL H119360 2.729 1.240 8.411 -0.0308 0.5782 -1.1577 1419SOL H219361 2.603 1.318 8.443 -0.1673 0.1461 -0.6219 1420SOL OH219362 0.258 3.781 2.029 0.2468 -0.3894 -0.3658 1420SOL H119363 0.284 3.847 1.965 2.1358 -1.3387 -0.6400 1420SOL H219364 0.317 3.795 2.103 -2.8895 1.7207 2.0218 1421SOL OH219365 2.375 2.372 0.755 0.1612 -0.1537 -0.3183 1421SOL H119366 2.318 2.429 0.806 -2.0864 -1.0184 -1.6810 1421SOL H219367 2.369 2.287 0.799 3.0951 0.4018 1.4157 1422SOL OH219368 0.678 3.939 0.207 0.3271 -0.0631 -1.1525 1422SOL H119369 0.686 3.977 0.119 -0.4305 1.4451 -0.6111 1422SOL H219370 0.600 3.981 0.244 0.0634 -1.4097 -0.1066 1423SOL OH219371 5.613 2.936 5.916 -0.3645 -0.5187 0.3705 1423SOL H119372 5.535 2.979 5.880 1.6551 1.5370 -1.9540 1423SOL H219373 5.587 2.845 5.930 -3.1126 0.0627 -0.4122 1424SOL OH219374 2.911 2.576 6.967 -0.3801 0.4718 0.2968 1424SOL H119375 2.835 2.634 6.968 -1.5726 -1.0427 1.2706 1424SOL H219376 2.874 2.488 6.970 1.4066 -0.3344 -0.0394 1425SOL OH219377 0.891 4.074 8.073 0.3389 0.4039 -0.0920 1425SOL H119378 0.968 4.129 8.058 0.2414 0.1716 -1.5348 1425SOL H219379 0.921 3.985 8.056 -0.0959 0.2492 -0.0530 1426SOL OH219380 3.500 4.721 1.554 -0.3106 -0.0470 -0.2245 1426SOL H119381 3.419 4.686 1.592 -0.4541 -0.5730 -0.9997 1426SOL H219382 3.551 4.643 1.531 -0.0947 0.2676 -0.8259 1427SOL OH219383 0.918 5.915 0.326 0.1301 -0.1550 0.0118 1427SOL H119384 0.836 5.921 0.374 -0.4457 -4.1900 -0.1236 1427SOL H219385 0.903 5.967 0.247 -1.4917 0.8338 0.9008 1428SOL OH219386 5.323 5.228 7.350 0.6362 0.6304 0.0419 1428SOL H119387 5.279 5.145 7.332 0.2783 0.8652 -0.1848 1428SOL H219388 5.387 5.238 7.279 0.8322 0.4405 0.1935 1429SOL OH219389 2.835 1.522 0.846 -0.2805 -0.2500 0.3688 1429SOL H119390 2.743 1.547 0.844 -1.3199 -3.4883 -2.8373 1429SOL H219391 2.835 1.431 0.873 2.1992 -0.0044 1.5135 1430SOL OH219392 0.392 0.146 6.611 0.4056 -0.0012 0.2148 1430SOL H119393 0.425 0.193 6.534 0.8113 -2.0683 -0.9637 1430SOL H219394 0.369 0.214 6.673 0.7360 1.7342 -1.4756 1431SOL OH219395 3.794 1.615 1.675 0.5204 -0.1469 -0.2166 1431SOL H119396 3.812 1.654 1.589 0.2564 -1.4376 -0.8854 1431SOL H219397 3.722 1.667 1.711 2.5148 2.2630 0.5401 1432SOL OH219398 3.484 3.766 2.360 -0.0141 -0.4157 0.9433 1432SOL H119399 3.403 3.813 2.379 -0.3160 0.4804 -1.9894 1432SOL H219400 3.554 3.827 2.383 -0.3805 1.1223 -1.5938 1433SOL OH219401 2.580 5.190 0.056 -0.0495 -0.5645 -0.4547 1433SOL H119402 2.639 5.129 0.012 0.7202 0.4705 -0.9067 1433SOL H219403 2.635 5.233 0.122 -1.0467 -1.6737 1.1741 1434SOL OH219404 4.956 3.450 7.454 0.5985 -0.1374 -0.4096 1434SOL H119405 4.872 3.429 7.414 0.7974 -0.8798 -0.4533 1434SOL H219406 5.020 3.437 7.383 0.9562 -1.4775 0.1308 1435SOL OH219407 5.043 2.748 0.792 -0.0955 0.5240 -0.0650 1435SOL H119408 5.049 2.654 0.804 0.1032 0.3806 -1.1880 1435SOL H219409 5.048 2.784 0.881 -0.6998 -0.5372 0.4134 1436SOL OH219410 0.169 4.081 6.346 -0.0211 0.2164 -0.1943 1436SOL H119411 0.188 4.042 6.261 -0.3183 -0.0781 -0.1284 1436SOL H219412 0.255 4.096 6.385 0.1399 0.9036 -0.7876 1437SOL OH219413 0.617 4.519 8.043 0.1573 -0.3658 0.4404 1437SOL H119414 0.554 4.495 7.975 -0.5238 0.7083 0.6533 1437SOL H219415 0.612 4.449 8.107 -0.7534 -0.3503 0.3938 1438SOL OH219416 3.079 3.493 7.181 -0.2867 -0.3708 0.4010 1438SOL H119417 3.086 3.511 7.275 -2.8611 2.0270 0.2738 1438SOL H219418 3.012 3.424 7.175 0.4817 -1.1178 0.3476 1439SOL OH219419 3.031 3.020 0.743 -0.2335 0.2982 -0.1558 1439SOL H119420 3.013 2.935 0.784 -0.3508 1.6503 2.9335 1439SOL H219421 3.122 3.039 0.767 -0.4148 1.3059 -0.2194 1440SOL OH219422 1.915 4.640 2.249 -0.1243 -0.0988 0.8616 1440SOL H119423 1.838 4.620 2.195 -1.1045 2.9210 0.9469 1440SOL H219424 1.878 4.670 2.332 1.2504 -0.3865 1.5949 1441SOL OH219425 3.016 4.623 0.988 -0.3835 -0.0738 -0.2144 1441SOL H119426 2.939 4.618 1.045 0.6584 -1.3258 1.1606 1441SOL H219427 3.055 4.708 1.006 -1.4454 0.5981 -0.9667 1442SOL OH219428 1.894 2.824 7.355 -0.0121 0.1001 0.2663 1442SOL H119429 1.976 2.837 7.404 0.0397 -1.5951 0.6724 1442SOL H219430 1.922 2.815 7.264 0.2929 -0.7107 0.4317 1443SOL OH219431 5.329 1.629 6.628 0.2030 0.3187 0.2143 1443SOL H119432 5.326 1.710 6.577 -0.4716 1.1466 1.5181 1443SOL H219433 5.262 1.640 6.695 0.3083 -1.2052 0.6060 1444SOL OH219434 5.287 3.220 1.283 0.1010 -0.1141 0.6050 1444SOL H119435 5.292 3.127 1.258 0.6387 -0.3354 1.4819 1444SOL H219436 5.359 3.261 1.237 -0.4927 -0.0062 -0.2519 1445SOL OH219437 5.484 2.351 0.367 -0.3801 -0.3348 0.4489 1445SOL H119438 5.492 2.258 0.390 -0.8469 -0.9554 -1.7017 1445SOL H219439 5.401 2.357 0.321 0.1174 0.9624 -0.3222 1446SOL OH219440 5.716 2.933 1.231 -0.1241 0.0283 -0.2426 1446SOL H119441 5.712 2.895 1.319 -0.1171 1.4337 0.3869 1446SOL H219442 5.784 2.882 1.186 2.0136 1.1630 1.5219 1447SOL OH219443 2.056 1.548 7.133 0.2216 0.3103 -0.5861 1447SOL H119444 1.964 1.539 7.155 0.2683 -1.2909 -0.8881 1447SOL H219445 2.071 1.642 7.127 -1.0609 0.6398 0.7917 1448SOL OH219446 1.844 5.273 -0.020 -0.3297 -0.0585 0.1952 1448SOL H119447 1.794 5.228 0.048 -0.6147 0.5722 0.4109 1448SOL H219448 1.914 5.317 0.028 -0.0492 -0.2745 -0.0156 1449SOL OH219449 2.288 2.585 1.864 0.2565 0.3228 -0.3510 1449SOL H119450 2.380 2.575 1.840 0.2400 0.1063 -0.3296 1449SOL H219451 2.275 2.524 1.936 0.3043 0.9870 0.2276 1450SOL OH219452 3.904 1.006 0.991 -0.4195 1.0471 -0.0827 1450SOL H119453 3.905 1.076 0.925 1.3574 0.2078 -1.0091 1450SOL H219454 3.811 0.990 1.006 -0.8796 2.0214 -1.5780 1451SOL OH219455 3.092 5.822 7.026 -0.1324 -0.2981 -0.6644 1451SOL H119456 3.086 5.867 6.942 -2.1207 -0.0473 -0.4289 1451SOL H219457 3.086 5.729 7.004 -0.9602 -0.2193 -0.7848 1452SOL OH219458 0.747 4.031 0.576 0.0052 0.0467 0.6082 1452SOL H119459 0.754 4.125 0.559 -0.9597 -0.2394 -1.6453 1452SOL H219460 0.813 4.015 0.645 1.4993 2.0405 -0.2455 1453SOL OH219461 0.970 5.376 1.896 -0.3187 -0.7077 -0.7853 1453SOL H119462 0.984 5.468 1.918 -2.1307 -0.1038 -1.9304 1453SOL H219463 0.992 5.329 1.977 -2.6468 1.0413 1.0541 1454SOL OH219464 2.941 5.167 6.808 0.0566 0.9527 0.0431 1454SOL H119465 3.004 5.181 6.738 0.1854 0.5250 0.0747 1454SOL H219466 2.868 5.225 6.786 -1.0696 -1.0330 -1.8566 1455SOL OH219467 4.643 4.167 1.044 0.2529 -0.3329 -0.1738 1455SOL H119468 4.648 4.232 0.974 0.9789 -1.2806 -1.0561 1455SOL H219469 4.713 4.105 1.023 1.2824 -0.0358 2.0593 1456SOL OH219470 0.062 1.670 7.912 0.0082 0.0175 0.1470 1456SOL H119471 0.015 1.753 7.904 0.4300 0.7044 3.2973 1456SOL H219472 0.141 1.682 7.858 -1.3098 0.4726 -1.7709 1457SOL OH219473 0.864 0.577 1.653 0.1542 -0.4203 -0.4078 1457SOL H119474 0.958 0.574 1.636 0.2327 -0.4035 0.0023 1457SOL H219475 0.850 0.509 1.719 -0.2553 -0.9994 -1.0715 1458SOL OH219476 4.898 4.617 0.056 0.1044 0.2318 -0.3004 1458SOL H119477 4.963 4.612 -0.014 -1.6062 -0.0541 -1.9637 1458SOL H219478 4.831 4.553 0.031 -1.3020 1.2100 0.8024 1459SOL OH219479 5.893 3.916 6.324 -0.1487 0.1624 0.0070 1459SOL H119480 5.964 3.853 6.320 -0.3056 -0.2499 2.4704 1459SOL H219481 5.930 3.997 6.288 1.2140 -0.3365 0.2530 1460SOL OH219482 0.988 4.492 7.323 0.4720 0.1345 -0.1353 1460SOL H119483 0.954 4.465 7.408 0.9615 0.1410 0.0677 1460SOL H219484 1.083 4.484 7.331 0.6336 1.7468 -0.1121 1461SOL OH219485 1.688 1.755 2.731 -0.2716 0.0619 -0.0320 1461SOL H119486 1.735 1.674 2.711 0.9665 0.2921 1.7034 1461SOL H219487 1.720 1.819 2.668 0.7339 -0.1463 0.2552 1462SOL OH219488 2.174 2.210 0.022 0.0996 -0.5528 -0.0744 1462SOL H119489 2.161 2.284 -0.036 -1.6554 -1.0421 -0.3569 1462SOL H219490 2.252 2.232 0.073 -0.3595 1.4448 -0.1871 1463SOL OH219491 5.853 4.421 0.884 -0.0939 -0.6639 -0.5512 1463SOL H119492 5.903 4.424 0.965 0.7553 0.5591 -1.0880 1463SOL H219493 5.827 4.512 0.869 -0.4319 -0.9125 -1.5304 1464SOL OH219494 0.169 5.207 8.028 0.1040 0.5285 -0.1558 1464SOL H119495 0.198 5.122 8.063 0.1847 0.0213 -1.4066 1464SOL H219496 0.244 5.265 8.042 0.2767 0.2331 0.1685 1465SOL OH219497 2.193 5.833 0.274 -0.3327 0.3081 -0.2388 1465SOL H119498 2.190 5.929 0.274 0.0733 0.3238 0.5241 1465SOL H219499 2.118 5.807 0.327 0.1248 0.2251 0.3693 1466SOL OH219500 1.030 4.402 8.108 0.4553 0.3153 0.4469 1466SOL H119501 1.100 4.432 8.167 0.0884 0.1586 0.9618 1466SOL H219502 1.070 4.331 8.057 0.4282 -0.3419 1.3231 1467SOL OH219503 1.133 0.467 1.349 -0.4664 -0.3041 -0.9819 1467SOL H119504 1.148 0.467 1.443 2.6910 -1.0974 -1.3703 1467SOL H219505 1.057 0.410 1.336 -1.8591 0.9522 1.1180 1468SOL OH219506 4.349 3.324 1.205 -0.3770 -0.1610 -0.7764 1468SOL H119507 4.300 3.311 1.124 0.6868 -1.3088 -1.2665 1468SOL H219508 4.412 3.393 1.185 -1.2234 0.7610 -0.3803 1469SOL OH219509 3.091 2.549 6.061 -0.2886 -0.0554 0.2087 1469SOL H119510 3.055 2.538 6.149 0.5861 -1.0611 0.4574 1469SOL H219511 3.084 2.643 6.044 -0.9933 0.0688 1.1167 1470SOL OH219512 1.253 1.001 1.464 0.1544 -0.1114 0.1234 1470SOL H119513 1.233 1.090 1.492 0.6051 1.1032 -2.9766 1470SOL H219514 1.168 0.959 1.452 -0.0642 -0.8769 3.4188 1471SOL OH219515 1.792 1.130 0.086 -0.3008 -0.0695 0.3163 1471SOL H119516 1.800 1.211 0.036 -0.3157 0.5855 1.3408 1471SOL H219517 1.708 1.138 0.131 -0.8572 -1.1965 -0.4958 1472SOL OH219518 4.493 2.847 6.762 0.0619 -0.3774 -0.5374 1472SOL H119519 4.573 2.795 6.771 1.7185 2.3358 2.6931 1472SOL H219520 4.442 2.826 6.840 -0.8855 0.2461 -0.9760 1473SOL OH219521 3.410 1.010 6.083 -0.4809 -0.0258 0.4161 1473SOL H119522 3.493 1.043 6.118 -0.7981 -0.1447 1.2879 1473SOL H219523 3.343 1.068 6.120 -0.8586 -0.4005 0.3232 1474SOL OH219524 5.212 0.456 1.226 0.3287 -0.2393 0.4538 1474SOL H119525 5.297 0.440 1.184 0.6210 -1.9270 1.5669 1474SOL H219526 5.214 0.548 1.250 0.9407 0.2975 -1.4265 1475SOL OH219527 1.338 3.941 7.449 -0.1259 0.1527 -0.1105 1475SOL H119528 1.359 3.885 7.374 1.4299 -2.3375 1.9775 1475SOL H219529 1.245 3.962 7.438 -0.2784 -1.2419 -2.0321 1476SOL OH219530 3.839 0.322 8.471 0.6196 0.1572 0.5034 1476SOL H119531 3.783 0.395 8.497 -0.0455 -0.3742 0.5935 1476SOL H219532 3.865 0.342 8.381 -1.6613 -0.7173 -0.4312 1477SOL OH219533 1.455 0.258 0.945 -0.4643 0.3909 0.0458 1477SOL H119534 1.366 0.270 0.978 -0.3419 -0.8024 0.8929 1477SOL H219535 1.448 0.268 0.850 -1.4384 0.6529 0.1402 1478SOL OH219536 1.834 1.706 7.788 0.1469 0.0259 -0.1489 1478SOL H119537 1.824 1.625 7.737 -2.5747 -0.6361 1.2394 1478SOL H219538 1.909 1.689 7.844 0.1142 -1.2152 -0.4438 1479SOL OH219539 0.415 1.375 1.570 -0.5552 0.3402 -0.5712 1479SOL H119540 0.489 1.325 1.605 -0.0047 0.0906 -2.0129 1479SOL H219541 0.345 1.311 1.561 -0.0193 -0.0808 -1.9106 1480SOL OH219542 3.126 2.823 6.679 0.5141 0.1900 0.2458 1480SOL H119543 3.084 2.880 6.744 1.9352 -0.1805 1.5737 1480SOL H219544 3.142 2.741 6.726 -2.0022 -1.6184 -1.7800 1481SOL OH219545 3.621 4.547 7.963 -0.0258 -0.6020 -0.4193 1481SOL H119546 3.695 4.541 8.023 -1.6006 -0.0062 1.7147 1481SOL H219547 3.562 4.476 7.991 0.1140 -1.7042 -2.7032 1482SOL OH219548 3.953 5.253 0.518 0.0383 0.5955 -0.4283 1482SOL H119549 4.007 5.296 0.584 -2.8493 1.2336 1.7624 1482SOL H219550 3.905 5.325 0.476 -1.5850 -0.0899 0.1591 1483SOL OH219551 1.064 5.152 0.049 0.0965 0.3791 0.3463 1483SOL H119552 1.098 5.102 0.123 -0.7198 0.9966 1.1729 1483SOL H219553 0.969 5.152 0.062 0.0750 2.1863 0.4248 1484SOL OH219554 1.302 0.759 0.223 -0.3712 -0.2174 -0.3717 1484SOL H119555 1.384 0.731 0.263 0.1477 2.1409 0.4081 1484SOL H219556 1.235 0.732 0.286 -0.1054 -1.2539 -0.5215 1485SOL OH219557 2.216 2.561 1.562 -0.4151 0.0521 0.0261 1485SOL H119558 2.227 2.585 1.654 -2.3532 1.8674 -0.1328 1485SOL H219559 2.125 2.583 1.542 -0.0375 -0.2292 -2.3417 1486SOL OH219560 5.158 5.348 7.530 -0.2405 0.4909 -0.5436 1486SOL H119561 5.083 5.401 7.502 -1.5288 -0.5501 0.7723 1486SOL H219562 5.200 5.321 7.449 -0.5382 2.1410 -1.2734 1487SOL OH219563 5.144 1.135 0.657 0.1280 -0.6782 0.4409 1487SOL H119564 5.062 1.089 0.641 -0.2675 0.2568 -0.3644 1487SOL H219565 5.205 1.067 0.684 -0.6861 -1.5164 0.2287 1488SOL OH219566 0.950 4.287 6.641 -0.4171 -0.5536 0.5954 1488SOL H119567 0.960 4.318 6.731 0.4226 -0.3707 0.4457 1488SOL H219568 1.039 4.286 6.606 -0.7345 -0.6445 -0.2273 1489SOL OH219569 2.464 4.338 7.623 -0.3066 0.0885 0.0989 1489SOL H119570 2.415 4.294 7.692 0.3730 -0.6566 0.1239 1489SOL H219571 2.549 4.357 7.662 -0.8582 2.3017 0.3967 1490SOL OH219572 2.032 1.102 0.485 -0.0614 -0.6837 0.3792 1490SOL H119573 2.043 1.085 0.579 0.1376 0.1070 0.5004 1490SOL H219574 2.009 1.195 0.480 -0.5476 -0.8327 -0.3233 1491SOL OH219575 5.448 3.148 7.738 -0.6889 0.1543 -0.2921 1491SOL H119576 5.465 3.074 7.796 -0.6904 1.0136 0.8339 1491SOL H219577 5.507 3.135 7.663 -0.0746 -0.5211 0.3021 1492SOL OH219578 2.978 5.817 1.736 -0.5655 -0.2525 -0.0635 1492SOL H119579 3.025 5.844 1.815 -0.5348 1.7511 -0.7182 1492SOL H219580 3.011 5.874 1.667 -0.9993 -1.5814 -1.4399 1493SOL OH219581 1.613 0.616 6.926 -0.6816 -0.3254 0.2318 1493SOL H119582 1.661 0.652 7.001 -0.7994 -0.4916 0.3870 1493SOL H219583 1.644 0.667 6.852 -0.2951 -0.3970 0.3395 1494SOL OH219584 2.629 0.707 7.085 1.1571 0.4625 0.1782 1494SOL H119585 2.664 0.761 7.156 0.2317 -0.5675 1.4661 1494SOL H219586 2.536 0.696 7.107 1.1116 -0.8385 -0.5590 1495SOL OH219587 4.305 4.097 0.500 -0.1528 0.0849 -0.1464 1495SOL H119588 4.253 4.137 0.570 0.3288 1.0249 -0.3168 1495SOL H219589 4.328 4.010 0.534 -0.2820 0.3675 0.6864 1496SOL OH219590 0.315 0.062 0.235 -0.5433 0.1975 -0.2974 1496SOL H119591 0.273 0.145 0.257 -0.4320 -0.1514 1.3646 1496SOL H219592 0.304 0.008 0.313 1.0140 -0.6911 -0.6436 1497SOL OH219593 5.050 4.532 6.737 0.6457 0.0828 -0.1575 1497SOL H119594 5.003 4.614 6.750 0.8728 -0.0399 1.6315 1497SOL H219595 5.105 4.548 6.660 0.7070 1.6118 0.1845 1498SOL OH219596 0.416 2.177 0.210 0.1616 0.1435 0.1975 1498SOL H119597 0.415 2.094 0.162 -2.3193 -0.8371 1.7391 1498SOL H219598 0.377 2.156 0.295 -1.5940 3.0723 0.2487 1499SOL OH219599 4.271 5.503 1.760 0.0426 -0.1783 0.6912 1499SOL H119600 4.322 5.533 1.685 -0.8448 0.8486 0.4912 1499SOL H219601 4.242 5.415 1.736 -0.1736 0.1176 -0.1404 1500SOL OH219602 0.401 3.899 1.196 0.3558 -0.1448 -0.0802 1500SOL H119603 0.486 3.867 1.163 0.4995 1.4408 -1.4336 1500SOL H219604 0.349 3.911 1.117 -1.5351 -2.0027 0.8038 1501SOL OH219605 2.944 1.951 6.200 0.7963 0.6642 0.4311 1501SOL H119606 2.914 1.955 6.291 -0.4235 1.0423 0.0326 1501SOL H219607 3.039 1.943 6.207 0.6675 -0.0022 1.7421 1502SOL OH219608 3.320 3.949 2.498 0.5248 -0.0867 0.1048 1502SOL H119609 3.364 3.925 2.579 2.3823 -0.1049 -0.8687 1502SOL H219610 3.251 3.884 2.488 2.9011 -2.6926 -0.4279 1503SOL OH219611 1.016 0.865 8.452 0.0274 -0.6143 0.2142 1503SOL H119612 0.929 0.837 8.482 0.1333 0.7793 2.0038 1503SOL H219613 1.027 0.953 8.489 2.8129 -1.3375 1.3672 1504SOL OH219614 2.857 4.021 1.543 1.0256 -0.2454 -0.3278 1504SOL H119615 2.765 4.000 1.527 0.8764 1.2118 -1.7199 1504SOL H219616 2.898 3.937 1.562 -0.4149 -1.0603 -0.6381 1505SOL OH219617 5.417 0.366 7.850 -0.2762 0.4289 0.4064 1505SOL H119618 5.482 0.301 7.877 -0.2347 -0.1854 -1.0422 1505SOL H219619 5.461 0.417 7.781 -1.4736 -0.3689 -1.0074 1506SOL OH219620 3.916 3.535 1.042 0.4552 -0.2470 0.4682 1506SOL H119621 3.823 3.524 1.065 0.1305 1.9003 0.3641 1506SOL H219622 3.958 3.559 1.125 0.8440 -0.7827 0.4270 1507SOL OH219623 4.070 1.125 2.307 -0.3093 -0.5102 -0.8984 1507SOL H119624 4.091 1.215 2.282 -1.6429 0.6110 1.6607 1507SOL H219625 3.981 1.111 2.275 -1.6215 0.5724 1.8857 1508SOL OH219626 2.212 1.457 1.039 -0.0635 -0.1425 1.0739 1508SOL H119627 2.164 1.534 1.009 -1.5688 -1.6101 -0.4811 1508SOL H219628 2.303 1.486 1.047 -0.2900 1.3640 -1.1466 1509SOL OH219629 2.438 0.138 0.920 0.1606 0.4556 0.4182 1509SOL H119630 2.417 0.070 0.985 0.3284 1.9013 2.0453 1509SOL H219631 2.484 0.090 0.851 -1.0461 -1.3384 0.7736 1510SOL OH219632 0.077 5.795 7.752 -0.7154 -0.1013 0.1803 1510SOL H119633 0.035 5.872 7.713 -1.6541 -0.1956 0.9833 1510SOL H219634 0.170 5.807 7.733 -1.0429 0.2661 -1.3730 1511SOL OH219635 2.103 3.542 1.564 -0.0219 0.3975 -0.3548 1511SOL H119636 2.067 3.473 1.620 1.7076 -0.1604 0.1562 1511SOL H219637 2.048 3.619 1.581 -1.8151 -0.7586 -0.7282 1512SOL OH219638 3.784 4.118 6.266 -0.2881 -0.2289 -0.1990 1512SOL H119639 3.768 4.100 6.173 -3.4849 0.6793 0.0755 1512SOL H219640 3.793 4.213 6.270 -3.2578 0.1071 0.6875 1513SOL OH219641 3.773 2.796 8.213 -0.1245 -0.2580 -1.1263 1513SOL H119642 3.776 2.849 8.133 -1.5068 -0.4129 -1.2959 1513SOL H219643 3.757 2.858 8.283 2.2236 0.0363 -0.7649 1514SOL OH219644 4.579 5.593 2.367 1.1000 0.1301 -0.0903 1514SOL H119645 4.537 5.679 2.376 -0.1456 -0.1699 -2.3898 1514SOL H219646 4.541 5.540 2.437 1.6612 1.3160 1.1680 1515SOL OH219647 0.076 5.669 1.705 0.0011 -0.2011 0.6926 1515SOL H119648 0.012 5.679 1.775 -0.3748 -0.3921 0.3835 1515SOL H219649 0.106 5.578 1.713 -0.8217 -0.5621 -0.0287 1516SOL OH219650 3.112 3.428 0.396 -0.0529 -0.1680 0.2903 1516SOL H119651 3.060 3.355 0.361 0.0404 -0.8067 1.4430 1516SOL H219652 3.085 3.434 0.487 1.1658 0.1519 0.6430 1517SOL OH219653 2.878 0.705 7.587 0.4174 -0.0962 -0.4047 1517SOL H119654 2.870 0.750 7.672 -1.2192 -1.0275 -0.0232 1517SOL H219655 2.888 0.613 7.609 0.2037 -0.3232 -1.2266 1518SOL OH219656 5.724 3.625 6.364 -0.1889 -0.4984 -0.1945 1518SOL H119657 5.806 3.668 6.341 0.9676 -2.6144 -0.2270 1518SOL H219658 5.663 3.650 6.294 0.6805 0.3305 -0.6779 1519SOL OH219659 2.796 4.868 1.070 -0.2974 -0.0466 -0.1698 1519SOL H119660 2.839 4.952 1.086 -1.2525 0.0926 2.0133 1519SOL H219661 2.811 4.850 0.977 1.1376 1.8334 -0.3496 1520SOL OH219662 3.648 3.235 6.407 -0.2971 -0.7898 0.1885 1520SOL H119663 3.658 3.298 6.336 1.2061 0.1871 1.2189 1520SOL H219664 3.556 3.209 6.403 -0.3984 -0.2740 -1.6850 1521SOL OH219665 4.716 4.567 2.129 0.0995 0.8047 -0.6011 1521SOL H119666 4.777 4.580 2.201 0.1415 2.2010 -0.8652 1521SOL H219667 4.765 4.514 2.065 -0.3919 -1.6281 0.9113 1522SOL OH219668 4.416 0.950 7.436 0.0591 -0.5647 0.0763 1522SOL H119669 4.472 0.904 7.499 -0.8877 1.3210 2.4164 1522SOL H219670 4.468 1.026 7.408 -0.5838 0.1607 0.8106 1523SOL OH219671 3.289 3.394 6.557 0.2959 0.2712 -0.4024 1523SOL H119672 3.256 3.372 6.470 0.1116 0.8636 -0.4884 1523SOL H219673 3.355 3.461 6.541 -1.8571 2.6481 0.0970 1524SOL OH219674 0.146 1.055 6.742 0.4589 -0.6500 -0.2460 1524SOL H119675 0.214 1.059 6.810 0.3688 0.9567 -0.2112 1524SOL H219676 0.179 0.992 6.678 1.7287 -0.2979 0.0416 1525SOL OH219677 3.842 2.229 2.029 -0.7724 0.0206 -0.6673 1525SOL H119678 3.756 2.226 1.986 -1.0054 -1.3210 -0.1396 1525SOL H219679 3.876 2.140 2.023 0.1967 0.3323 -0.0869 1526SOL OH219680 2.290 0.389 8.071 0.0298 -0.0967 0.4091 1526SOL H119681 2.221 0.338 8.028 1.0502 -2.1682 1.0983 1526SOL H219682 2.346 0.324 8.113 3.4009 1.2687 -1.4763 1527SOL OH219683 4.619 4.851 1.273 0.0429 -0.1766 -0.1066 1527SOL H119684 4.592 4.839 1.182 -0.4123 -1.9779 0.2261 1527SOL H219685 4.712 4.828 1.274 1.2298 3.6864 -0.7822 1528SOL OH219686 3.944 0.374 1.590 -0.1973 -0.5368 0.4887 1528SOL H119687 3.878 0.392 1.524 1.9719 0.7017 -1.4860 1528SOL H219688 3.946 0.279 1.596 -1.0945 -0.6412 -0.5314 1529SOL OH219689 4.845 2.781 1.426 -0.0280 0.0699 -0.0542 1529SOL H119690 4.784 2.772 1.499 0.6675 0.3375 0.5766 1529SOL H219691 4.829 2.869 1.392 -1.9535 -0.8406 -1.7364 1530SOL OH219692 2.821 0.918 6.120 -0.3288 -0.0217 0.2650 1530SOL H119693 2.832 0.823 6.123 0.2438 0.0644 1.5766 1530SOL H219694 2.905 0.950 6.087 0.1413 0.1206 1.5643 1531SOL OH219695 2.353 3.804 1.510 0.4252 0.1684 0.5016 1531SOL H119696 2.373 3.711 1.498 -1.2290 -0.3227 1.3403 1531SOL H219697 2.291 3.825 1.440 -0.5543 0.1719 1.3507 1532SOL OH219698 1.763 1.974 2.579 0.5867 0.4865 -0.1947 1532SOL H119699 1.787 2.059 2.616 0.1577 1.2252 -1.5418 1532SOL H219700 1.682 1.990 2.531 -0.2954 -1.0185 0.6910 1533SOL OH219701 3.977 4.128 7.554 -0.1234 0.2243 0.1411 1533SOL H119702 4.016 4.170 7.477 -0.4874 -0.5748 -0.4836 1533SOL H219703 3.893 4.172 7.565 0.3448 1.0285 0.7000 1534SOL OH219704 4.163 5.078 6.843 0.1025 -0.4292 -0.1099 1534SOL H119705 4.239 5.060 6.787 0.0528 -0.1384 -0.2697 1534SOL H219706 4.125 4.992 6.860 0.4906 -0.5791 0.0007 1535SOL OH219707 2.070 6.047 7.754 -0.4871 -0.1347 1.0000 1535SOL H119708 2.094 5.967 7.801 -0.6832 -0.3871 0.6778 1535SOL H219709 1.974 6.042 7.748 -0.4305 -0.3381 0.1688 1536SOL OH219710 3.041 2.244 1.484 0.2427 -0.3784 -0.0464 1536SOL H119711 2.965 2.256 1.541 0.5474 -0.2985 0.3508 1536SOL H219712 3.114 2.231 1.544 0.7917 0.9476 -0.3693 1537SOL OH219713 4.768 2.598 0.855 0.4738 0.7974 0.0140 1537SOL H119714 4.697 2.647 0.896 0.4488 -0.0491 1.0221 1537SOL H219715 4.738 2.585 0.765 -0.2568 1.1993 0.1851 1538SOL OH219716 2.130 2.904 7.941 0.9179 -0.1553 0.7798 1538SOL H119717 2.192 2.974 7.919 0.8483 -0.7246 -1.3806 1538SOL H219718 2.167 2.864 8.020 1.7557 1.3358 1.1945 1539SOL OH219719 4.000 4.651 0.533 -0.2390 -0.1656 -0.0650 1539SOL H119720 3.952 4.627 0.612 0.8596 0.0356 0.6932 1539SOL H219721 3.955 4.728 0.499 0.5360 1.0824 1.5955 1540SOL OH219722 5.146 3.540 0.288 0.2046 -0.2226 -0.1948 1540SOL H119723 5.179 3.591 0.214 0.7164 -0.8546 -0.4115 1540SOL H219724 5.215 3.476 0.305 -0.3901 -0.7799 0.1302 1541SOL OH219725 2.877 0.619 6.993 0.3667 -0.6988 0.7962 1541SOL H119726 2.783 0.635 6.994 0.1968 -1.3455 -0.8310 1541SOL H219727 2.913 0.679 7.058 -0.8876 1.4797 -0.4075 1542SOL OH219728 5.163 0.907 2.099 0.4206 -0.1691 -0.2212 1542SOL H119729 5.184 1.000 2.102 -0.5884 0.1207 -1.2065 1542SOL H219730 5.198 0.877 2.015 0.7690 -0.6826 0.1061 1543SOL OH219731 1.886 5.809 6.534 0.7118 0.5463 -0.3157 1543SOL H119732 1.892 5.724 6.492 -0.7090 -0.3758 1.2179 1543SOL H219733 1.975 5.843 6.533 1.3879 -1.1323 -0.6243 1544SOL OH219734 1.834 4.411 1.340 -0.5173 -0.1430 0.2123 1544SOL H119735 1.804 4.452 1.421 0.8246 1.5469 -0.0848 1544SOL H219736 1.792 4.462 1.270 0.0348 -0.2028 -0.1661 1545SOL OH219737 3.207 5.442 0.251 -1.0347 0.2505 -0.4848 1545SOL H119738 3.252 5.507 0.197 -1.8521 0.3915 -1.0141 1545SOL H219739 3.255 5.443 0.334 1.1099 -0.9533 -1.6216 1546SOL OH219740 0.218 4.108 7.487 -0.2950 -0.0520 -0.0425 1546SOL H119741 0.246 4.198 7.504 -0.0863 -0.2552 0.6877 1546SOL H219742 0.296 4.055 7.498 -1.0508 -0.7215 2.7911 1547SOL OH219743 1.779 5.004 1.031 0.3023 -0.1243 -0.3338 1547SOL H119744 1.738 4.940 0.974 0.6738 -1.5154 0.8928 1547SOL H219745 1.873 4.998 1.012 0.2372 1.0634 -1.1681 1548SOL OH219746 4.268 2.469 2.454 0.0978 0.0760 0.4398 1548SOL H119747 4.341 2.414 2.423 0.4019 1.6229 -1.8779 1548SOL H219748 4.302 2.511 2.533 1.7973 0.8292 -0.6443 1549SOL OH219749 1.268 5.538 7.453 -0.0690 0.2517 0.0683 1549SOL H119750 1.295 5.453 7.488 0.0781 -0.0208 -0.7049 1549SOL H219751 1.178 5.549 7.485 0.4169 0.5034 1.4244 1550SOL OH219752 2.763 2.680 0.503 0.3115 -0.2893 -0.9439 1550SOL H119753 2.689 2.711 0.555 1.9074 2.7859 -0.2252 1550SOL H219754 2.724 2.642 0.425 -2.0533 2.1051 -1.0750 1551SOL OH219755 2.272 5.671 0.837 0.1295 0.2518 0.1018 1551SOL H119756 2.185 5.637 0.818 0.1117 0.1234 0.3983 1551SOL H219757 2.282 5.746 0.779 -0.4723 0.7083 0.5691 1552SOL OH219758 5.912 2.436 8.447 0.1792 -0.2865 -0.3475 1552SOL H119759 5.978 2.368 8.447 0.4246 -0.0483 0.0283 1552SOL H219760 5.857 2.416 8.371 2.9606 1.6890 -3.1864 1553SOL OH219761 0.842 1.299 6.582 0.3901 -0.0508 -0.4559 1553SOL H119762 0.826 1.210 6.614 -0.1880 0.1328 -0.2198 1553SOL H219763 0.918 1.330 6.632 -0.7406 0.3790 1.0561 1554SOL OH219764 3.309 5.338 6.955 0.3392 -0.0875 0.3043 1554SOL H119765 3.283 5.395 7.028 1.9315 1.7329 -0.4657 1554SOL H219766 3.229 5.331 6.902 -0.4495 -0.2885 1.4763 1555SOL OH219767 2.105 2.061 1.196 -0.2352 0.1334 0.2717 1555SOL H119768 2.112 2.133 1.259 -0.1608 -0.3238 0.7961 1555SOL H219769 2.177 2.075 1.135 -0.2980 0.5709 0.2933 1556SOL OH219770 3.306 3.984 1.547 -0.6057 0.2750 0.4552 1556SOL H119771 3.387 3.980 1.496 0.2853 2.1880 1.5797 1556SOL H219772 3.320 3.924 1.620 -0.0718 0.7697 0.7703 1557SOL OH219773 1.073 3.390 0.763 -0.4611 0.1690 -0.2210 1557SOL H119774 0.995 3.427 0.722 -2.1213 -1.7660 0.9740 1557SOL H219775 1.104 3.325 0.700 -2.3813 -2.0323 0.9079 1558SOL OH219776 5.239 0.919 6.640 -0.2307 -0.5283 -0.3524 1558SOL H119777 5.200 0.842 6.681 -1.8670 0.9821 1.0925 1558SOL H219778 5.171 0.986 6.644 0.9123 0.8575 -2.1232 1559SOL OH219779 2.287 4.726 7.071 0.0290 -0.5886 -0.3847 1559SOL H119780 2.266 4.713 6.978 0.6654 -2.4350 -0.3016 1559SOL H219781 2.237 4.659 7.117 -2.6589 2.1336 1.0030 1560SOL OH219782 2.961 4.297 8.135 -0.2566 -0.0102 -0.5914 1560SOL H119783 3.027 4.333 8.194 -1.1407 0.4872 0.1030 1560SOL H219784 2.910 4.372 8.106 -1.8902 -0.6113 0.5984 1561SOL OH219785 3.685 0.718 7.018 -0.5879 -0.1978 -0.3199 1561SOL H119786 3.738 0.798 7.022 -1.1929 0.2104 -0.4046 1561SOL H219787 3.700 0.683 6.930 -0.8452 0.1851 -0.5165 1562SOL OH219788 4.728 5.031 6.961 -0.1348 -0.3782 0.3686 1562SOL H119789 4.648 4.995 6.922 -0.3443 1.1848 -0.7522 1562SOL H219790 4.783 5.054 6.886 0.1873 1.1263 1.0338 1563SOL OH219791 3.289 5.824 8.436 0.2916 0.2748 -0.2666 1563SOL H119792 3.206 5.800 8.396 0.0436 0.4052 0.1694 1563SOL H219793 3.303 5.760 8.505 0.0235 0.8797 0.3663 1564SOL OH219794 0.818 2.852 2.267 0.4871 0.0664 0.3411 1564SOL H119795 0.738 2.886 2.228 -0.3623 -1.5216 0.5985 1564SOL H219796 0.851 2.924 2.322 0.9816 1.8497 -2.1493 1565SOL OH219797 2.443 2.924 2.279 -0.5196 -0.3550 0.1035 1565SOL H119798 2.356 2.963 2.278 0.3749 1.7489 0.3634 1565SOL H219799 2.499 2.986 2.232 0.4494 -2.8102 -2.2945 1566SOL OH219800 3.164 2.819 7.056 0.0301 0.0117 -0.3531 1566SOL H119801 3.090 2.762 7.077 -0.2817 0.8541 0.9297 1566SOL H219802 3.141 2.859 6.972 -1.2840 0.7664 0.3442 1567SOL OH219803 4.928 2.007 8.183 0.3129 0.5362 -0.3644 1567SOL H119804 4.984 2.036 8.255 -2.0996 -0.1914 1.9898 1567SOL H219805 4.869 2.081 8.168 -1.2171 -0.4259 0.6665 1568SOL OH219806 0.336 4.760 7.158 0.7049 -0.1153 -0.7767 1568SOL H119807 0.374 4.705 7.089 -0.0986 -0.8203 -0.6660 1568SOL H219808 0.241 4.747 7.150 0.5459 0.6260 -0.2241 1569SOL OH219809 4.424 5.844 0.267 -0.4525 -1.0023 0.3714 1569SOL H119810 4.361 5.913 0.290 -0.0956 -0.2761 -0.7688 1569SOL H219811 4.508 5.875 0.300 -0.3965 -1.1906 0.4113 1570SOL OH219812 2.997 5.550 7.102 -0.0148 -1.1931 -0.2254 1570SOL H119813 2.926 5.567 7.040 0.0609 0.4169 0.0759 1570SOL H219814 2.967 5.474 7.152 -2.0161 -0.0094 0.5180 1571SOL OH219815 3.153 4.050 0.566 -0.7805 -0.3686 0.6112 1571SOL H119816 3.232 4.022 0.519 -1.1201 -0.3431 0.0250 1571SOL H219817 3.099 3.972 0.571 -0.6076 -0.4548 1.2546 1572SOL OH219818 5.275 2.979 6.135 0.4651 -0.2617 0.1798 1572SOL H119819 5.250 3.064 6.171 1.5517 -0.8676 2.5779 1572SOL H219820 5.195 2.944 6.098 -0.1448 1.5181 -0.2761 1573SOL OH219821 1.277 1.162 7.955 -0.0170 -0.7123 -0.1114 1573SOL H119822 1.296 1.255 7.948 -0.0736 -0.4810 2.0688 1573SOL H219823 1.351 1.118 7.914 -0.2372 0.2745 -1.6175 1574SOL OH219824 0.269 3.753 7.193 -0.2797 0.3144 -0.1946 1574SOL H119825 0.332 3.732 7.124 1.9372 0.4835 1.6692 1574SOL H219826 0.271 3.849 7.198 0.1700 0.2731 0.5912 1575SOL OH219827 1.070 0.322 7.829 -0.1484 0.5641 0.3962 1575SOL H119828 1.123 0.321 7.908 -0.5853 0.4526 0.6949 1575SOL H219829 1.127 0.287 7.761 0.0947 0.2538 0.7562 1576SOL OH219830 5.473 5.297 7.592 -1.0338 0.5354 -0.0248 1576SOL H119831 5.382 5.282 7.566 -0.0773 -1.4260 -2.6447 1576SOL H219832 5.507 5.359 7.528 -0.1275 0.1452 0.0640 1577SOL OH219833 4.257 0.507 6.118 -0.0261 -0.3738 -0.5144 1577SOL H119834 4.190 0.524 6.053 -0.0986 1.3711 -0.0298 1577SOL H219835 4.286 0.594 6.146 1.5780 -1.0897 0.1613 1578SOL OH219836 2.059 4.175 7.206 0.3217 0.2492 -0.3881 1578SOL H119837 2.056 4.217 7.121 1.1607 0.0459 -0.5275 1578SOL H219838 2.149 4.188 7.237 -0.6091 2.6647 1.6851 1579SOL OH219839 2.752 1.107 8.270 0.0639 0.7534 -0.0312 1579SOL H119840 2.727 1.099 8.177 -0.3154 2.4480 -0.1149 1579SOL H219841 2.731 1.022 8.308 -0.4282 0.2534 -1.3596 1580SOL OH219842 0.862 1.683 2.207 -0.3545 -0.1641 0.4466 1580SOL H119843 0.811 1.744 2.153 0.8351 1.8617 1.5101 1580SOL H219844 0.799 1.645 2.268 -1.2229 -0.5003 -0.6316 1581SOL OH219845 3.487 0.496 6.365 -0.4158 -0.3782 0.2778 1581SOL H119846 3.524 0.578 6.332 -3.3948 0.5127 -1.1995 1581SOL H219847 3.438 0.522 6.444 -0.6365 -0.8830 0.3133 1582SOL OH219848 5.210 2.140 7.779 0.0518 0.4180 -0.2484 1582SOL H119849 5.184 2.155 7.870 1.3964 -0.4371 0.2997 1582SOL H219850 5.208 2.045 7.768 0.9042 0.4503 -0.7953 1583SOL OH219851 0.459 3.623 7.352 0.4353 0.0259 0.0749 1583SOL H119852 0.366 3.637 7.332 0.4525 -2.4499 -2.3149 1583SOL H219853 0.503 3.634 7.268 2.3625 1.0705 1.1535 1584SOL OH219854 1.456 4.292 7.133 0.1456 0.2274 0.7182 1584SOL H119855 1.519 4.364 7.126 1.2043 -0.5492 1.8688 1584SOL H219856 1.405 4.312 7.212 0.9710 -0.6619 1.4952 1585SOL OH219857 2.443 0.152 8.180 0.4641 -0.2605 -0.4913 1585SOL H119858 2.383 0.086 8.146 -0.5478 -0.1486 0.9923 1585SOL H219859 2.528 0.127 8.144 -0.4358 -0.4290 -2.6217 1586SOL OH219860 3.816 0.515 6.270 0.2146 -0.7639 -0.1615 1586SOL H119861 3.887 0.488 6.212 -1.0794 0.2556 -2.3402 1586SOL H219862 3.739 0.468 6.237 -0.6593 0.2234 0.4005 1587SOL OH219863 4.770 -0.020 5.873 0.1645 0.2786 0.6996 1587SOL H119864 4.850 -0.004 5.824 -0.0096 2.3654 0.9976 1587SOL H219865 4.749 0.065 5.914 -0.4783 -0.9915 3.2205 1588SOL OH219866 0.373 5.190 0.779 0.0603 -0.0375 -0.3853 1588SOL H119867 0.419 5.163 0.860 0.4654 2.1650 0.1753 1588SOL H219868 0.316 5.116 0.759 -0.0183 -0.6853 1.9043 1589SOL OH219869 4.822 2.948 0.922 -0.1657 0.5138 0.0178 1589SOL H119870 4.737 2.958 0.964 0.1170 1.6451 0.3601 1589SOL H219871 4.853 2.861 0.950 -0.9289 0.3540 0.3877 1590SOL OH219872 0.532 1.715 0.315 -0.8330 -0.3479 0.5174 1590SOL H119873 0.510 1.756 0.232 -1.3351 -1.1243 0.2554 1590SOL H219874 0.617 1.753 0.339 -1.3425 0.9251 0.3641 1591SOL OH219875 5.191 3.911 6.911 0.2506 -0.1703 0.2996 1591SOL H119876 5.121 3.848 6.891 0.1523 -0.2993 1.0161 1591SOL H219877 5.145 3.986 6.949 0.1556 1.1570 -2.2371 1592SOL OH219878 0.886 2.616 6.476 -0.2618 0.5160 -0.2720 1592SOL H119879 0.964 2.627 6.422 -0.4638 1.4122 -0.4102 1592SOL H219880 0.903 2.539 6.529 0.0456 -0.2570 -1.4561 1593SOL OH219881 0.169 4.680 8.010 -0.5477 0.0493 -0.4326 1593SOL H119882 0.251 4.702 7.966 -0.1519 -0.2133 0.1701 1593SOL H219883 0.123 4.763 8.018 0.0446 0.3405 0.0106 1594SOL OH219884 3.873 5.643 6.535 0.0737 -0.3032 -0.0460 1594SOL H119885 3.951 5.605 6.496 -0.4785 -0.2412 -1.2621 1594SOL H219886 3.904 5.722 6.580 0.6417 -0.0277 -0.9027 1595SOL OH219887 3.417 3.919 0.956 -0.0100 0.3346 0.8232 1595SOL H119888 3.397 3.891 0.866 2.1354 0.2505 0.3316 1595SOL H219889 3.332 3.918 1.000 -1.3321 1.4715 -1.4890 1596SOL OH219890 3.913 2.533 8.386 0.0987 -0.1208 -0.4248 1596SOL H119891 3.866 2.616 8.378 0.0662 -0.1525 -0.5545 1596SOL H219892 3.869 2.488 8.458 0.8601 0.4786 0.4449 1597SOL OH219893 4.789 1.496 6.356 0.3995 -0.4246 0.5091 1597SOL H119894 4.859 1.538 6.306 0.7153 -0.8906 0.5565 1597SOL H219895 4.715 1.555 6.347 0.4130 -0.5654 -0.6184 1598SOL OH219896 1.967 3.237 0.619 -0.5033 0.5410 0.2121 1598SOL H119897 1.924 3.277 0.543 1.5442 1.6821 -0.4305 1598SOL H219898 1.990 3.310 0.675 1.1296 0.0724 0.2117 1599SOL OH219899 1.672 3.044 6.451 -0.3623 -0.3856 0.3274 1599SOL H119900 1.611 3.069 6.521 0.0973 -0.2882 0.6936 1599SOL H219901 1.652 2.952 6.433 -0.4956 -0.4041 0.5699 1600SOL OH219902 1.384 5.515 6.311 -0.2454 0.0233 -0.0373 1600SOL H119903 1.395 5.565 6.230 -1.0681 1.2223 0.5705 1600SOL H219904 1.465 5.530 6.360 -0.2354 0.2404 -0.1228 1601SOL OH219905 3.262 4.380 7.900 0.8744 -1.0420 -0.2741 1601SOL H119906 3.204 4.307 7.879 1.3186 -1.7689 0.8992 1601SOL H219907 3.312 4.350 7.976 2.1286 -0.0757 -0.6830 1602SOL OH219908 3.438 2.874 0.478 -0.3530 -0.1363 0.0342 1602SOL H119909 3.391 2.803 0.436 0.7152 -1.6884 1.3573 1602SOL H219910 3.492 2.912 0.409 -1.9936 0.3836 -1.0283 1603SOL OH219911 4.258 3.218 1.445 -0.0001 0.4189 0.0497 1603SOL H119912 4.195 3.288 1.459 -0.4690 0.4442 -1.8079 1603SOL H219913 4.308 3.246 1.367 0.5674 -0.7701 -0.0415 1604SOL OH219914 0.387 1.707 0.556 0.1203 -0.7751 -0.0063 1604SOL H119915 0.432 1.718 0.471 -0.6242 -0.1643 -0.3346 1604SOL H219916 0.295 1.695 0.533 -0.2242 0.2741 0.7442 1605SOL OH219917 1.834 2.218 2.681 0.1174 0.3586 0.0186 1605SOL H119918 1.779 2.296 2.690 -0.3360 -0.0537 1.0217 1605SOL H219919 1.823 2.172 2.764 0.3060 -0.8274 -0.5960 1606SOL OH219920 5.223 1.593 1.025 -0.5736 -0.1668 -1.0216 1606SOL H119921 5.272 1.669 0.993 0.0478 -0.4370 -0.7293 1606SOL H219922 5.272 1.564 1.102 -0.6094 -1.0780 -1.3297 1607SOL OH219923 4.564 0.742 0.334 -0.0824 -0.1767 -0.0702 1607SOL H119924 4.657 0.730 0.315 -0.0788 1.8558 -1.6495 1607SOL H219925 4.561 0.759 0.428 1.4359 1.8089 -0.3193 1608SOL OH219926 3.058 5.764 0.375 0.1856 -0.0093 0.3483 1608SOL H119927 3.151 5.784 0.380 0.0334 0.3973 2.2837 1608SOL H219928 3.033 5.739 0.464 -1.4623 -0.5439 -0.2173 1609SOL OH219929 5.226 2.900 0.089 -0.2645 -0.0938 0.4367 1609SOL H119930 5.192 2.913 0.177 1.3881 -0.2695 1.1427 1609SOL H219931 5.213 2.807 0.072 2.4467 -0.8445 1.9222 1610SOL OH219932 5.598 5.776 6.764 0.1380 0.0866 -0.2169 1610SOL H119933 5.573 5.803 6.676 1.2241 0.2354 -0.4882 1610SOL H219934 5.648 5.850 6.799 0.8230 -0.4900 0.0392 1611SOL OH219935 3.096 2.326 0.050 -0.1324 -0.3910 -0.1139 1611SOL H119936 3.000 2.329 0.045 -0.1973 -2.7210 -1.5765 1611SOL H219937 3.125 2.374 -0.028 -0.1551 -1.0788 -0.5483 1612SOL OH219938 1.646 4.953 8.331 0.2829 0.4815 -0.3738 1612SOL H119939 1.675 4.907 8.252 0.2389 -1.1192 0.5083 1612SOL H219940 1.720 4.947 8.391 -1.0008 -1.8459 1.1448 1613SOL OH219941 4.453 0.485 0.339 0.2647 -0.5921 0.1571 1613SOL H119942 4.436 0.476 0.246 -0.2312 1.6090 -0.0272 1613SOL H219943 4.464 0.579 0.352 -0.0926 -0.8056 2.3914 1614SOL OH219944 1.917 0.108 0.712 0.5866 -0.3032 -0.5368 1614SOL H119945 1.829 0.075 0.732 0.2116 0.4842 -0.8118 1614SOL H219946 1.935 0.076 0.624 -0.8032 2.1327 -1.8304 1615SOL OH219947 3.346 3.419 7.155 -0.0293 0.5450 -0.0544 1615SOL H119948 3.255 3.446 7.151 0.3342 1.9107 0.2221 1615SOL H219949 3.373 3.411 7.063 -0.2690 0.6962 -0.1382 1616SOL OH219950 3.601 5.085 6.169 0.5489 0.0625 0.1337 1616SOL H119951 3.577 5.128 6.251 2.1463 2.6403 -0.6436 1616SOL H219952 3.624 5.157 6.110 -0.3494 -1.7046 -2.5550 1617SOL OH219953 4.633 4.508 0.566 0.1208 0.0124 -0.0471 1617SOL H119954 4.604 4.423 0.532 -0.6746 0.6642 -1.0970 1617SOL H219955 4.699 4.538 0.502 0.9347 -0.1299 0.7119 1618SOL OH219956 1.087 5.602 7.041 -0.1189 0.1084 -0.3982 1618SOL H119957 1.034 5.605 7.121 0.0650 -0.5070 -0.2528 1618SOL H219958 1.052 5.528 6.992 -1.6616 1.7309 -1.8972 1619SOL OH219959 3.577 0.927 6.661 -0.0332 0.3245 0.0246 1619SOL H119960 3.589 0.844 6.615 0.1117 -0.0712 0.7571 1619SOL H219961 3.564 0.902 6.752 3.2503 1.2089 0.8561 1620SOL OH219962 4.414 0.278 5.977 0.2499 -0.0355 0.1839 1620SOL H119963 4.371 0.193 5.963 0.6413 -0.4684 1.5115 1620SOL H219964 4.351 0.329 6.027 -0.0204 0.5200 -0.6870 1621SOL OH219965 2.913 1.836 1.758 -0.4746 0.2639 0.4105 1621SOL H119966 2.864 1.862 1.836 0.7183 -1.2089 1.7137 1621SOL H219967 2.992 1.890 1.760 -1.0656 1.2359 -0.6201 1622SOL OH219968 1.617 0.750 1.272 -0.5134 0.0947 0.2594 1622SOL H119969 1.583 0.800 1.198 0.4059 0.0920 -0.1809 1622SOL H219970 1.698 0.796 1.296 -0.9520 0.2722 1.4517 1623SOL OH219971 5.064 4.220 0.780 0.1217 -0.0804 -0.0502 1623SOL H119972 5.037 4.242 0.869 0.1456 0.4725 -0.1764 1623SOL H219973 5.157 4.201 0.788 0.1299 -0.0065 0.0403 1624SOL OH219974 1.921 2.063 7.473 0.0345 0.0455 -0.0203 1624SOL H119975 1.839 2.017 7.492 0.1599 -0.5065 -0.7973 1624SOL H219976 1.903 2.153 7.499 -1.3276 0.2533 -1.4842 1625SOL OH219977 4.522 4.697 0.238 0.1197 -0.4407 -0.7543 1625SOL H119978 4.595 4.636 0.253 -0.8649 -1.1981 1.2988 1625SOL H219979 4.453 4.668 0.298 0.1511 3.6080 1.6598 1626SOL OH219980 0.590 1.298 2.557 -0.0058 0.1462 0.5074 1626SOL H119981 0.681 1.326 2.546 0.8384 -1.9945 1.4681 1626SOL H219982 0.586 1.266 2.647 -1.8014 0.4596 0.5697 1627SOL OH219983 0.110 4.220 0.889 0.2940 -0.6021 -0.0152 1627SOL H119984 0.046 4.291 0.887 -0.7845 -1.5400 0.4291 1627SOL H219985 0.180 4.250 0.830 0.0768 1.0001 0.4700 1628SOL OH219986 3.525 5.434 7.244 0.2532 -0.2348 -0.3240 1628SOL H119987 3.447 5.406 7.197 1.4964 -2.8823 -0.9491 1628SOL H219988 3.579 5.356 7.252 0.5837 0.1294 4.7890 1629SOL OH219989 3.551 0.783 7.255 -1.0116 0.6388 0.5401 1629SOL H119990 3.554 0.760 7.348 -2.2262 -1.3229 0.1351 1629SOL H219991 3.634 0.750 7.219 -0.0914 2.2612 1.0498 1630SOL OH219992 2.203 1.634 8.205 0.5459 -0.4233 -0.2496 1630SOL H119993 2.251 1.582 8.140 -0.6433 -1.2808 -0.4618 1630SOL H219994 2.270 1.691 8.243 1.2698 0.2172 -2.3219 1631SOL OH219995 1.048 1.028 6.999 -0.0685 0.0619 -0.0143 1631SOL H119996 1.126 1.054 7.048 -0.5135 -0.9624 1.3100 1631SOL H219997 0.982 1.093 7.022 0.1933 0.5252 -0.5715 1632SOL OH219998 5.341 2.412 7.787 -0.1306 0.0183 -0.4938 1632SOL H119999 5.270 2.476 7.788 -0.4689 -0.3248 1.4896 1632SOL H220000 5.296 2.328 7.799 0.5906 -0.1990 0.7909 1633SOL OH220001 1.040 1.889 1.263 0.3043 1.1606 -0.6292 1633SOL H120002 0.997 1.804 1.261 -0.4765 1.5303 -0.2321 1633SOL H220003 1.111 1.882 1.199 1.0393 -0.1961 0.2840 1634SOL OH220004 3.031 5.762 6.537 -0.2288 -0.1184 -0.3960 1634SOL H120005 2.990 5.815 6.468 1.2097 1.6103 0.0052 1634SOL H220006 3.057 5.825 6.604 2.7545 -1.1076 -0.4839 1635SOL OH220007 1.945 4.463 7.627 -0.2847 -0.5135 -0.1721 1635SOL H120008 1.990 4.481 7.545 -0.2299 -2.0478 -0.5106 1635SOL H220009 2.012 4.471 7.695 -0.0720 -0.3586 -0.4028 1636SOL OH220010 0.243 0.386 7.177 -0.6748 -0.0842 -0.0511 1636SOL H120011 0.324 0.342 7.150 -1.2356 -1.3388 0.2251 1636SOL H220012 0.201 0.324 7.237 -2.1386 0.2678 -0.6645 1637SOL OH220013 5.328 2.966 1.146 -0.2132 0.4567 0.0842 1637SOL H120014 5.332 2.872 1.128 -1.8979 0.3495 0.1187 1637SOL H220015 5.304 3.006 1.062 -1.5294 0.6209 0.5084 1638SOL OH220016 1.421 4.973 6.997 0.6243 -0.2389 -0.4805 1638SOL H120017 1.387 5.028 7.068 2.0544 -0.4723 0.4207 1638SOL H220018 1.495 4.926 7.036 1.4012 -0.4369 -2.1062 1639SOL OH220019 4.829 4.295 6.916 -0.5735 0.2470 -0.0363 1639SOL H120020 4.775 4.374 6.917 -0.9762 -0.0155 -0.7412 1639SOL H220021 4.904 4.317 6.861 -0.0949 0.5154 0.7087 1640SOL OH220022 3.296 1.496 8.293 -0.0557 0.1641 -0.0974 1640SOL H120023 3.263 1.525 8.208 -0.2605 0.8943 0.2199 1640SOL H220024 3.348 1.418 8.274 -1.2262 -0.4938 -0.7244 1641SOL OH220025 0.285 0.073 1.353 0.4907 0.0422 0.4927 1641SOL H120026 0.211 0.112 1.400 -0.1929 0.1858 -0.6361 1641SOL H220027 0.297 0.130 1.277 -0.2799 -1.6660 -1.0010 1642SOL OH220028 1.727 4.221 0.085 -0.1651 0.9574 -0.4359 1642SOL H120029 1.691 4.153 0.142 -1.8937 -0.1225 -2.6536 1642SOL H220030 1.729 4.300 0.139 1.3446 -0.6486 2.0347 1643SOL OH220031 0.431 3.209 1.299 -0.0720 1.3040 -0.1283 1643SOL H120032 0.519 3.172 1.296 -0.1203 1.1015 0.6979 1643SOL H220033 0.404 3.198 1.390 -1.0766 1.0610 -0.4446 1644SOL OH220034 0.437 1.553 6.838 -0.2637 0.2369 -0.0467 1644SOL H120035 0.454 1.460 6.822 0.0613 0.6699 -2.7178 1644SOL H220036 0.523 1.594 6.841 -0.4471 0.6878 -0.7087 1645SOL OH220037 3.457 5.074 8.440 -0.0427 -0.7273 0.0071 1645SOL H120038 3.509 5.070 8.520 0.7969 1.0488 -0.3909 1645SOL H220039 3.481 5.157 8.400 -1.8053 -0.7245 -1.1761 1646SOL OH220040 4.988 1.001 8.437 0.1343 0.0187 -0.6024 1646SOL H120041 4.989 1.097 8.439 -0.4490 0.0585 -1.3193 1646SOL H220042 5.078 0.975 8.454 0.4150 0.7199 -0.9610 1647SOL OH220043 2.103 0.162 7.124 -0.0261 -0.3883 0.0284 1647SOL H120044 2.097 0.197 7.035 1.1434 -0.1681 0.0304 1647SOL H220045 2.020 0.188 7.165 -0.9952 -1.2863 -1.2576 1648SOL OH220046 5.617 3.872 1.695 -0.1003 0.2225 0.2169 1648SOL H120047 5.653 3.787 1.717 -1.1498 -0.4187 -0.4738 1648SOL H220048 5.557 3.892 1.767 0.0489 0.3329 0.3132 1649SOL OH220049 0.803 5.065 8.246 -0.8844 0.3424 0.0583 1649SOL H120050 0.764 5.090 8.330 -3.8951 0.4281 -1.2353 1649SOL H220051 0.753 4.989 8.218 -0.0828 0.4190 -1.7342 1650SOL OH220052 3.775 1.380 8.106 -0.2756 0.0048 -0.0867 1650SOL H120053 3.681 1.385 8.119 -0.4239 0.5467 -1.2763 1650SOL H220054 3.811 1.368 8.194 -1.6083 -2.9073 0.1820 1651SOL OH220055 1.943 2.688 1.078 0.5259 0.2124 0.4530 1651SOL H120056 2.006 2.675 1.149 0.7948 -1.5974 -0.0656 1651SOL H220057 1.897 2.605 1.071 0.9736 0.0860 -1.8920 1652SOL OH220058 3.370 2.672 7.477 -0.3579 -0.0148 -0.2478 1652SOL H120059 3.364 2.577 7.487 0.6750 -0.2095 -1.3187 1652SOL H220060 3.348 2.707 7.564 1.5463 -1.3143 0.8319 1653SOL OH220061 1.594 2.874 1.289 -0.9128 0.2765 0.1628 1653SOL H120062 1.506 2.911 1.281 -0.0264 2.1425 -2.4449 1653SOL H220063 1.651 2.950 1.297 0.6002 -0.8544 0.6394 1654SOL OH220064 3.823 2.501 6.552 0.7045 -0.7674 0.1232 1654SOL H120065 3.765 2.432 6.521 0.1966 0.2291 -1.2244 1654SOL H220066 3.902 2.455 6.582 -0.0698 -1.9941 0.3127 1655SOL OH220067 5.407 1.061 7.925 0.0890 0.2653 0.0838 1655SOL H120068 5.400 0.975 7.883 -1.0778 -0.5389 1.8142 1655SOL H220069 5.478 1.105 7.878 0.9964 -1.7847 -0.5838 1656SOL OH220070 3.630 0.059 0.571 0.0772 0.2361 -0.0432 1656SOL H120071 3.641 -0.016 0.630 -0.6579 1.2257 1.4285 1656SOL H220072 3.598 0.021 0.490 1.8424 -1.2705 -0.1181 1657SOL OH220073 3.436 1.511 0.688 0.2756 -0.4769 -0.3689 1657SOL H120074 3.445 1.589 0.742 0.9212 -0.5901 -0.3041 1657SOL H220075 3.409 1.545 0.602 1.6396 -0.0627 -0.6605 1658SOL OH220076 0.187 3.663 7.865 -0.4043 -0.8478 -0.0375 1658SOL H120077 0.275 3.702 7.864 0.0751 -1.9030 -0.2572 1658SOL H220078 0.129 3.735 7.888 0.5602 -0.1975 0.4130 1659SOL OH220079 0.167 2.603 8.033 0.2768 0.5269 -0.1644 1659SOL H120080 0.162 2.682 7.980 -0.7832 0.4739 -0.1618 1659SOL H220081 0.260 2.581 8.035 0.2723 -0.0161 -2.7686 1660SOL OH220082 1.720 5.646 7.688 0.2577 -0.1695 0.4887 1660SOL H120083 1.651 5.684 7.632 -0.4409 0.1630 1.5481 1660SOL H220084 1.773 5.593 7.628 0.2006 1.0712 -0.6924 1661SOL OH220085 0.479 3.764 0.897 0.1072 0.5119 0.4184 1661SOL H120086 0.532 3.779 0.818 -1.6319 1.7555 -0.5578 1661SOL H220087 0.402 3.819 0.886 -0.2374 0.6757 2.9906 1662SOL OH220088 0.846 5.534 0.718 -0.4899 0.0721 -0.7170 1662SOL H120089 0.846 5.529 0.623 -2.0831 1.7303 -0.8643 1662SOL H220090 0.895 5.613 0.738 0.7181 -0.8105 -0.0759 1663SOL OH220091 0.703 0.776 6.690 0.2505 -0.3152 -0.1786 1663SOL H120092 0.728 0.827 6.767 -0.2447 0.2448 -0.3872 1663SOL H220093 0.758 0.811 6.620 0.7651 -0.8847 -0.0725 1664SOL OH220094 1.856 1.426 0.443 0.0613 -0.6132 -0.7664 1664SOL H120095 1.918 1.471 0.386 -0.8381 0.4300 -0.9516 1664SOL H220096 1.772 1.431 0.397 -0.6611 0.1402 0.5389 1665SOL OH220097 3.327 0.641 6.840 0.3130 -0.0540 -0.0751 1665SOL H120098 3.402 0.582 6.834 -0.7784 -1.7311 1.5928 1665SOL H220099 3.364 0.724 6.868 1.6426 -0.6154 -0.0917 1666SOL OH220100 4.479 6.009 6.789 0.2061 -0.2343 0.1759 1666SOL H120101 4.419 5.985 6.859 0.0956 -1.3785 -0.2926 1666SOL H220102 4.481 6.105 6.791 0.2027 -0.2417 1.7208 1667SOL OH220103 0.987 5.770 0.624 -0.3730 -0.7346 0.1842 1667SOL H120104 0.985 5.776 0.528 1.0421 0.5613 0.2059 1667SOL H220105 1.060 5.825 0.650 -1.7510 0.2963 2.1323 1668SOL OH220106 4.438 3.013 0.532 0.0504 0.1137 0.2658 1668SOL H120107 4.529 2.982 0.528 0.0480 0.1302 0.0749 1668SOL H220108 4.433 3.081 0.465 -0.4108 -0.7087 -0.5596 1669SOL OH220109 2.388 5.402 0.773 0.0028 0.7717 -0.0080 1669SOL H120110 2.328 5.464 0.733 -1.4793 -0.5306 0.0893 1669SOL H220111 2.451 5.456 0.820 -1.1352 2.1928 -0.0490 1670SOL OH220112 2.998 1.227 0.607 -0.0287 -0.0999 -0.3974 1670SOL H120113 3.011 1.135 0.629 0.7703 0.3889 1.3114 1670SOL H220114 2.909 1.246 0.637 0.0267 -0.1621 -0.1923 1671SOL OH220115 1.666 0.898 2.689 0.1982 -0.5777 0.2028 1671SOL H120116 1.716 0.911 2.608 -0.8662 -0.0104 -0.3775 1671SOL H220117 1.588 0.952 2.679 1.0618 1.3157 2.5609 1672SOL OH220118 5.644 1.613 6.616 0.4036 -0.2528 0.3980 1672SOL H120119 5.560 1.659 6.627 1.2896 1.3790 0.6971 1672SOL H220120 5.668 1.584 6.704 -0.0128 -1.0461 0.2552 1673SOL OH220121 5.492 5.348 0.326 0.3135 -0.1954 0.2690 1673SOL H120122 5.425 5.389 0.382 -0.3783 1.1155 -1.4056 1673SOL H220123 5.457 5.358 0.237 2.2843 -0.3806 -0.5700 1674SOL OH220124 5.479 3.540 0.916 0.5262 0.1517 -0.0805 1674SOL H120125 5.465 3.485 0.993 2.3651 1.0004 0.9529 1674SOL H220126 5.557 3.503 0.874 -1.0681 -0.9434 -2.1941 1675SOL OH220127 5.594 4.230 6.930 0.1434 -0.0953 0.2986 1675SOL H120128 5.643 4.302 6.970 -0.2533 0.8165 -0.7987 1675SOL H220129 5.563 4.179 7.004 0.5789 0.7647 1.1069 1676SOL OH220130 3.682 4.372 0.755 0.1426 -0.4835 -0.0335 1676SOL H120131 3.696 4.349 0.847 1.9045 -0.4214 -0.2562 1676SOL H220132 3.596 4.414 0.754 -0.1400 -0.9710 1.4913 1677SOL OH220133 5.179 4.542 0.673 0.3660 -0.1501 0.7079 1677SOL H120134 5.217 4.457 0.652 1.4895 0.7145 -0.9887 1677SOL H220135 5.253 4.603 0.668 -0.7926 1.2235 -0.2215 1678SOL OH220136 0.484 0.942 1.396 -0.2525 0.0423 0.1029 1678SOL H120137 0.522 0.870 1.348 -1.4795 -0.5510 -0.0230 1678SOL H220138 0.410 0.903 1.443 0.1744 0.8475 1.4988 1679SOL OH220139 2.696 6.049 7.388 0.6481 -0.2647 -0.3514 1679SOL H120140 2.728 6.133 7.355 -1.0520 0.3672 -0.5026 1679SOL H220141 2.759 6.025 7.456 1.2533 1.0628 -0.4000 1680SOL OH220142 3.102 6.048 7.187 -0.6757 0.3982 0.1987 1680SOL H120143 3.083 5.961 7.153 -1.2981 0.2826 0.8260 1680SOL H220144 3.089 6.106 7.112 -2.0139 0.1461 0.2077 1681SOL OH220145 3.572 1.287 7.166 0.1763 -0.8641 -0.5410 1681SOL H120146 3.614 1.267 7.249 1.6630 -2.3654 -1.6048 1681SOL H220147 3.520 1.366 7.184 1.8454 -0.1191 1.3374 1682SOL OH220148 1.900 2.600 0.404 0.2312 0.4395 -0.6154 1682SOL H120149 1.878 2.561 0.489 -2.6928 -0.1993 -1.5621 1682SOL H220150 1.926 2.526 0.350 -1.5835 0.2607 -1.3045 1683SOL OH220151 4.222 2.517 0.870 -0.3395 0.5450 0.4574 1683SOL H120152 4.229 2.606 0.834 3.1884 -0.2125 -1.1046 1683SOL H220153 4.159 2.526 0.941 -0.9809 4.0413 -0.3416 1684SOL OH220154 3.153 1.806 8.297 -0.1094 -0.2844 -0.2669 1684SOL H120155 3.145 1.736 8.361 1.7378 0.5237 0.9296 1684SOL H220156 3.094 1.875 8.329 -1.6088 -1.0524 -1.2237 1685SOL OH220157 3.055 4.570 8.157 1.0886 -0.3757 -0.5512 1685SOL H120158 2.998 4.595 8.084 -0.2890 -3.4248 -0.6798 1685SOL H220159 3.012 4.606 8.235 -0.7895 -2.0728 -0.7218 1686SOL OH220160 1.145 0.394 0.352 -0.2956 0.2703 -0.5941 1686SOL H120161 1.109 0.364 0.436 0.1679 -2.4913 -1.2744 1686SOL H220162 1.082 0.363 0.287 -0.1195 1.4565 -1.3426 1687SOL OH220163 0.684 2.720 6.776 -0.5455 0.2703 0.3380 1687SOL H120164 0.669 2.670 6.696 0.8165 -3.6463 2.2464 1687SOL H220165 0.598 2.728 6.817 -0.7232 -1.2559 0.3055 1688SOL OH220166 4.191 1.340 2.542 0.0686 -0.2290 -0.0635 1688SOL H120167 4.217 1.416 2.594 0.9704 -0.5995 0.0482 1688SOL H220168 4.212 1.265 2.597 0.0812 -0.5905 -0.5524 1689SOL OH220169 1.246 0.557 7.569 0.6914 -0.1330 -0.1989 1689SOL H120170 1.232 0.626 7.505 0.5654 -1.0789 -1.2104 1689SOL H220171 1.190 0.582 7.643 -1.7018 -0.6551 -1.7254 1690SOL OH220172 4.810 4.989 8.301 0.3358 0.1255 0.6451 1690SOL H120173 4.803 5.079 8.270 -1.1417 0.3065 1.4330 1690SOL H220174 4.796 4.995 8.396 3.7353 -0.5332 1.3117 1691SOL OH220175 5.649 4.690 7.843 0.6776 0.8019 -0.4660 1691SOL H120176 5.704 4.716 7.917 1.7247 0.5477 -1.1500 1691SOL H220177 5.578 4.755 7.844 2.4330 2.8663 -1.2288 1692SOL OH220178 1.834 2.552 0.689 0.2000 -0.2156 -0.2024 1692SOL H120179 1.848 2.632 0.741 -1.0599 0.3324 -0.6705 1692SOL H220180 1.830 2.482 0.753 0.1095 0.2673 0.3280 1693SOL OH220181 0.222 1.666 8.220 0.0444 0.0426 0.1636 1693SOL H120182 0.138 1.641 8.182 -1.7366 2.2891 2.3289 1693SOL H220183 0.257 1.584 8.256 1.1462 -1.9015 -4.5494 1694SOL OH220184 3.334 4.514 8.167 -0.4172 0.3199 0.4733 1694SOL H120185 3.392 4.455 8.118 0.0747 -0.5113 1.9852 1694SOL H220186 3.248 4.502 8.127 -0.0989 -0.5726 0.0215 1695SOL OH220187 0.017 4.806 6.508 -0.1139 0.0139 -0.1798 1695SOL H120188 -0.010 4.728 6.460 -0.9071 -0.4328 0.9363 1695SOL H220189 0.018 4.876 6.443 -2.5494 -0.2642 -0.6104 1696SOL OH220190 5.189 0.218 7.296 0.4133 0.0696 0.5014 1696SOL H120191 5.169 0.311 7.291 -0.3820 -0.0532 1.2043 1696SOL H220192 5.152 0.181 7.216 1.1801 0.4210 -0.0317 1697SOL OH220193 4.439 5.807 7.869 0.1838 0.3015 -0.1065 1697SOL H120194 4.469 5.774 7.953 -0.3895 3.1017 1.3046 1697SOL H220195 4.360 5.757 7.850 0.0954 -0.0971 1.2350 1698SOL OH220196 4.710 1.413 6.931 0.3181 -0.4285 0.2400 1698SOL H120197 4.666 1.483 6.882 1.6130 0.3203 0.1243 1698SOL H220198 4.715 1.341 6.868 1.6664 0.4126 -0.6613 1699SOL OH220199 1.466 2.718 6.842 -0.1757 -0.2929 -0.0369 1699SOL H120200 1.385 2.757 6.874 0.0066 0.8445 -0.8720 1699SOL H220201 1.464 2.628 6.873 -1.2143 0.0380 0.9143 1700SOL OH220202 4.456 0.206 7.845 0.8840 -0.5174 0.4772 1700SOL H120203 4.462 0.259 7.765 0.4433 0.4471 1.0568 1700SOL H220204 4.485 0.119 7.818 0.5415 -0.2700 -0.7811 1701SOL OH220205 5.150 1.554 1.496 -0.1051 -0.1308 0.7473 1701SOL H120206 5.189 1.473 1.464 0.7760 0.3361 0.6162 1701SOL H220207 5.213 1.588 1.559 -0.2793 0.6683 0.5016 1702SOL OH220208 5.531 4.303 8.299 -0.4111 0.2295 0.3205 1702SOL H120209 5.621 4.274 8.312 -0.8643 -0.8019 1.4231 1702SOL H220210 5.478 4.226 8.320 -1.5583 0.8510 -0.1892 1703SOL OH220211 4.617 6.052 7.806 0.0218 0.1516 0.2667 1703SOL H120212 4.579 5.965 7.800 0.5822 -0.1321 0.6910 1703SOL H220213 4.705 6.037 7.842 0.3897 0.8231 -0.3303 1704SOL OH220214 4.196 0.105 7.850 0.4108 -0.1202 -0.1367 1704SOL H120215 4.280 0.141 7.880 0.5103 -0.1741 -0.3452 1704SOL H220216 4.178 0.032 7.909 0.2846 0.1726 0.1934 1705SOL OH220217 0.085 1.765 2.270 0.1896 0.1629 1.1159 1705SOL H120218 0.075 1.787 2.177 -3.1269 -1.2715 0.9695 1705SOL H220219 0.088 1.669 2.271 2.7007 0.1749 2.4177 1706SOL OH220220 2.689 2.960 0.331 0.6173 -0.3447 -0.5947 1706SOL H120221 2.625 2.997 0.270 0.3343 0.2856 0.0637 1706SOL H220222 2.640 2.947 0.412 1.7954 2.3419 0.6710 1707SOL OH220223 2.731 0.198 6.840 -0.2451 -0.3707 -0.0024 1707SOL H120224 2.768 0.202 6.752 -2.2718 0.8286 -0.8951 1707SOL H220225 2.799 0.235 6.897 0.2302 1.1005 -1.4346 1708SOL OH220226 5.340 1.217 0.077 -0.4592 0.1836 -0.1183 1708SOL H120227 5.325 1.308 0.102 -0.8578 -0.1494 0.8821 1708SOL H220228 5.420 1.192 0.122 0.6543 0.5532 -1.8027 1709SOL OH220229 4.757 3.659 7.913 0.2079 -0.4797 -0.4939 1709SOL H120230 4.840 3.620 7.938 0.3341 0.2309 0.2478 1709SOL H220231 4.779 3.721 7.843 0.9660 2.4035 2.0599 1710SOL OH220232 0.118 2.580 1.669 0.4916 0.1492 -0.7642 1710SOL H120233 0.202 2.568 1.626 1.5749 -1.3171 1.5345 1710SOL H220234 0.075 2.495 1.663 0.3906 0.0939 0.3715 1711SOL OH220235 3.058 2.784 2.370 0.3962 0.3409 0.0350 1711SOL H120236 3.083 2.710 2.314 -0.1283 1.2602 -1.4759 1711SOL H220237 3.080 2.861 2.319 -2.4092 1.2221 -0.0122 1712SOL OH220238 1.586 2.991 8.079 -0.2242 -0.0832 0.0414 1712SOL H120239 1.609 2.899 8.070 -1.4272 -0.2927 -1.1947 1712SOL H220240 1.585 3.025 7.990 0.9254 1.3460 0.5256 1713SOL OH220241 3.645 5.121 8.172 0.6677 0.6609 0.3443 1713SOL H120242 3.651 5.075 8.088 -0.0414 0.1815 0.5434 1713SOL H220243 3.596 5.061 8.228 -2.4250 2.5981 -0.0745 1714SOL OH220244 3.487 5.337 0.255 0.3136 -0.2484 0.0316 1714SOL H120245 3.543 5.407 0.223 -0.3070 -0.2602 -1.1239 1714SOL H220246 3.440 5.376 0.329 -0.0511 0.5846 -0.6221 1715SOL OH220247 5.977 3.146 8.331 0.2929 0.6979 0.1173 1715SOL H120248 5.904 3.087 8.313 -0.5351 1.6366 0.3605 1715SOL H220249 5.996 3.187 8.247 0.2072 0.8311 0.1624 1716SOL OH220250 1.619 3.321 0.615 0.1549 -0.6169 -0.4995 1716SOL H120251 1.576 3.391 0.565 -0.3328 -2.1773 -2.4099 1716SOL H220252 1.547 3.263 0.641 0.6683 -1.0452 -0.0217 1717SOL OH220253 5.371 3.065 0.259 -0.1991 -0.0293 0.4239 1717SOL H120254 5.325 2.990 0.296 -1.9206 -0.0809 -1.6244 1717SOL H220255 5.410 3.032 0.178 -2.2243 1.4878 -1.3003 1718SOL OH220256 5.799 5.366 6.639 0.3792 -0.4908 -0.6388 1718SOL H120257 5.714 5.404 6.617 -0.7915 -1.6966 1.4920 1718SOL H220258 5.834 5.335 6.555 -1.7607 -0.8882 -1.4423 1719SOL OH220259 5.158 4.765 0.466 0.5983 0.3042 0.1546 1719SOL H120260 5.146 4.737 0.375 0.6047 -1.2016 0.5869 1719SOL H220261 5.162 4.684 0.515 1.5363 1.0795 1.4042 1720SOL OH220262 1.637 3.675 2.382 -0.1757 -0.7286 0.0710 1720SOL H120263 1.573 3.692 2.451 -0.1523 -1.2943 0.2333 1720SOL H220264 1.673 3.589 2.403 1.7747 0.2201 0.8688 1721SOL OH220265 5.798 3.246 6.558 0.0838 -0.8549 -0.0158 1721SOL H120266 5.820 3.211 6.472 0.0925 -2.4740 0.6103 1721SOL H220267 5.715 3.292 6.545 0.8467 0.2408 -1.1776 1722SOL OH220268 0.463 0.853 2.069 0.0032 0.3357 -0.5338 1722SOL H120269 0.403 0.854 2.144 -0.5035 -1.1190 -0.8876 1722SOL H220270 0.496 0.763 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1728SOL H220288 4.571 1.472 1.287 -0.2305 -0.0991 -0.1782 1729SOL OH220289 2.937 5.546 6.828 0.1152 -0.3067 0.3287 1729SOL H120290 3.024 5.557 6.789 0.4568 -2.2872 0.4266 1729SOL H220291 2.904 5.465 6.790 -1.6513 0.3299 0.4233 1730SOL OH220292 4.114 1.005 7.753 0.6893 0.7621 0.1880 1730SOL H120293 4.116 1.096 7.781 0.4011 0.0273 2.9146 1730SOL H220294 4.022 0.979 7.762 0.8468 0.0845 -0.0700 1731SOL OH220295 0.851 4.567 8.425 0.5434 0.2231 0.0614 1731SOL H120296 0.917 4.524 8.370 1.6723 0.5303 1.1328 1731SOL H220297 0.896 4.643 8.462 0.1725 -0.5269 2.2121 1732SOL OH220298 5.592 3.341 2.157 0.3631 -0.2198 0.0140 1732SOL H120299 5.511 3.391 2.167 -0.1820 -1.0672 -0.1034 1732SOL H220300 5.606 3.301 2.243 0.4657 -0.3570 -0.0672 1733SOL OH220301 5.299 2.481 0.906 -0.6268 0.1686 0.2641 1733SOL H120302 5.217 2.508 0.949 1.2968 3.5636 2.2644 1733SOL H220303 5.345 2.430 0.973 0.4852 1.6655 0.7016 1734SOL OH220304 1.248 5.487 0.999 0.0080 0.1792 -0.2283 1734SOL H120305 1.159 5.474 0.968 -1.3927 3.5655 1.8202 1734SOL H220306 1.292 5.533 0.927 -0.8129 1.0667 -0.1770 1735SOL OH220307 0.452 5.128 1.555 -0.4548 -0.0412 0.1792 1735SOL H120308 0.511 5.093 1.623 0.0230 -0.1116 -0.2615 1735SOL H220309 0.503 5.196 1.512 -1.0005 0.4668 0.3218 1736SOL OH220310 5.888 0.453 2.266 0.0123 0.7515 0.0936 1736SOL H120311 5.825 0.516 2.300 0.0214 0.1635 1.2544 1736SOL H220312 5.837 0.395 2.210 -0.6387 -0.1135 1.5286 1737SOL OH220313 5.293 5.327 6.431 -0.5543 -0.1061 -0.1953 1737SOL H120314 5.281 5.366 6.344 -1.8064 -0.0434 -0.0213 1737SOL H220315 5.208 5.287 6.451 0.2229 -1.5533 0.3181 1738SOL OH220316 4.520 3.931 1.697 -0.5440 -0.3563 0.1640 1738SOL H120317 4.474 3.855 1.734 1.3318 -0.1370 3.3221 1738SOL H220318 4.477 4.007 1.736 -0.7709 0.1128 -0.9601 1739SOL OH220319 3.966 2.170 2.381 -0.2934 0.1408 -0.1811 1739SOL H120320 3.963 2.077 2.358 -0.9477 -0.1997 1.1407 1739SOL H220321 4.027 2.174 2.455 0.0027 0.8184 -0.4604 1740SOL OH220322 2.405 0.932 8.025 -0.0584 -0.2866 0.2105 1740SOL H120323 2.469 0.919 7.955 2.2908 2.0550 1.7412 1740SOL H220324 2.419 0.860 8.085 2.2653 0.9147 1.2224 1741SOL OH220325 4.166 0.566 6.448 0.1428 0.0062 -0.1796 1741SOL H120326 4.190 0.627 6.378 0.6646 -0.0480 -0.0479 1741SOL H220327 4.210 0.484 6.425 1.3938 0.3477 0.8874 1742SOL OH220328 4.163 0.239 7.559 0.5287 -0.1375 -0.1738 1742SOL H120329 4.078 0.200 7.579 0.0073 0.8334 -0.4204 1742SOL H220330 4.212 0.233 7.641 -0.3557 0.7036 0.4493 1743SOL OH220331 3.764 3.109 1.468 -0.5679 0.0723 0.3340 1743SOL H120332 3.820 3.159 1.527 0.5325 0.9615 -1.3683 1743SOL H220333 3.772 3.018 1.497 -1.2520 0.6212 2.4210 1744SOL OH220334 5.457 3.677 0.319 -0.2785 -0.2226 -0.5497 1744SOL H120335 5.429 3.586 0.302 0.0894 -0.2512 -1.0313 1744SOL H220336 5.538 3.687 0.269 -1.7347 1.2054 -2.8111 1745SOL OH220337 0.577 1.189 1.182 0.8428 -0.1533 -0.1802 1745SOL H120338 0.564 1.272 1.136 -1.1407 -0.5554 -0.4552 1745SOL H220339 0.545 1.123 1.120 1.2468 -1.0175 0.5123 1746SOL OH220340 0.296 3.261 0.822 -0.3550 -0.7271 -0.1272 1746SOL H120341 0.321 3.193 0.884 0.4073 -0.5560 -0.2459 1746SOL H220342 0.314 3.343 0.868 0.0646 -0.6009 -0.5153 1747SOL OH220343 0.141 2.240 7.460 0.2070 0.6234 0.1733 1747SOL H120344 0.132 2.275 7.549 2.1253 0.9080 0.2986 1747SOL H220345 0.232 2.211 7.455 -0.0347 0.0733 -1.5191 1748SOL OH220346 4.040 1.354 7.274 -0.5779 0.4714 -0.3430 1748SOL H120347 3.976 1.341 7.204 -0.6464 -0.1335 -0.1778 1748SOL H220348 3.999 1.317 7.352 -0.1421 0.3283 -0.1773 1749SOL OH220349 0.123 4.472 7.613 0.3171 -0.2118 -0.6741 1749SOL H120350 0.055 4.413 7.645 -0.0011 0.4718 -0.0443 1749SOL H220351 0.078 4.555 7.599 1.1167 0.4077 0.2808 1750SOL OH220352 0.014 3.541 8.079 0.3997 1.0089 -0.5113 1750SOL H120353 0.055 3.584 8.005 0.4103 1.9772 0.0391 1750SOL H220354 -0.033 3.611 8.124 0.1558 0.3810 0.2315 1751SOL OH220355 4.128 2.174 2.592 0.3287 0.3796 -0.2619 1751SOL H120356 4.161 2.252 2.637 0.3714 0.1129 0.1708 1751SOL H220357 4.185 2.103 2.622 0.1654 0.1451 -0.5029 1752SOL OH220358 2.779 1.511 7.862 0.0081 0.1104 -0.3196 1752SOL H120359 2.834 1.511 7.940 -0.2090 1.3225 -0.1382 1752SOL H220360 2.764 1.604 7.843 0.4039 -0.1404 -2.0567 1753SOL OH220361 3.615 4.414 1.320 0.4154 0.9809 -0.0022 1753SOL H120362 3.622 4.338 1.377 2.0943 2.2191 1.5690 1753SOL H220363 3.705 4.444 1.309 0.3086 0.3871 -4.0122 1754SOL OH220364 4.525 2.456 1.530 0.5574 -0.2130 0.8193 1754SOL H120365 4.574 2.376 1.513 1.2686 0.3909 0.0129 1754SOL H220366 4.446 2.448 1.476 0.9140 -0.0975 0.2809 1755SOL OH220367 3.669 4.761 0.956 -0.4231 -0.5552 0.3169 1755SOL H120368 3.746 4.792 1.003 -0.3688 -1.6415 0.9730 1755SOL H220369 3.702 4.693 0.897 -0.7042 -0.1744 -0.2870 1756SOL OH220370 0.422 1.840 1.529 -0.4675 0.6330 0.0900 1756SOL H120371 0.378 1.863 1.447 -1.8784 -1.6513 0.1222 1756SOL H220372 0.383 1.898 1.595 -2.0052 0.0202 -0.2463 1757SOL OH220373 1.481 1.177 8.222 0.0469 0.9571 -0.4618 1757SOL H120374 1.562 1.129 8.204 0.1848 0.6378 0.9290 1757SOL H220375 1.413 1.110 8.219 -0.0618 1.0801 -0.7819 1758SOL OH220376 2.937 4.711 7.341 -0.2798 0.5828 -0.3822 1758SOL H120377 2.924 4.709 7.246 0.6148 -0.2208 -0.5045 1758SOL H220378 2.870 4.652 7.376 -0.1007 0.2580 -0.5850 1759SOL OH220379 5.007 3.495 0.569 0.6650 -0.1635 0.3201 1759SOL H120380 5.010 3.488 0.474 -0.1895 0.9253 0.1932 1759SOL H220381 5.041 3.582 0.588 0.4372 -0.2132 0.9826 1760SOL OH220382 2.676 1.072 6.618 0.1644 0.0695 0.0465 1760SOL H120383 2.712 0.985 6.636 -0.3348 -0.3359 -0.8118 1760SOL H220384 2.736 1.133 6.660 1.3307 -0.6313 -0.5637 1761SOL OH220385 1.183 3.198 0.535 -0.2547 -0.2881 -0.0129 1761SOL H120386 1.202 3.108 0.561 0.3308 0.1506 1.1826 1761SOL H220387 1.213 3.205 0.445 -2.8260 -2.0417 -1.1113 1762SOL OH220388 5.386 4.057 8.289 0.0617 -0.1299 0.4960 1762SOL H120389 5.408 4.004 8.366 0.6454 -2.2452 -1.0257 1762SOL H220390 5.395 3.997 8.216 1.8915 2.4122 -1.5195 1763SOL OH220391 5.332 3.265 7.494 0.3239 0.2128 -0.2178 1763SOL H120392 5.352 3.231 7.581 -0.1725 -0.8795 -0.5223 1763SOL H220393 5.412 3.312 7.468 1.1594 -1.0018 0.0833 1764SOL OH220394 1.532 2.602 0.065 0.2857 -0.0397 0.0620 1764SOL H120395 1.559 2.681 0.018 -1.6875 0.5645 -0.1750 1764SOL H220396 1.540 2.625 0.158 -0.3568 0.4964 -0.0054 1765SOL OH220397 3.042 1.227 1.783 0.4743 0.0438 0.0759 1765SOL H120398 3.129 1.235 1.743 -0.4954 -1.1781 -2.4537 1765SOL H220399 3.057 1.173 1.861 2.2133 1.3142 0.6944 1766SOL OH220400 5.417 4.444 1.877 -0.1941 -0.3054 -0.1843 1766SOL H120401 5.332 4.406 1.900 -0.8672 1.6227 0.6709 1766SOL H220402 5.481 4.384 1.915 -1.2074 -0.4654 1.3366 1767SOL OH220403 4.388 5.427 8.259 0.0669 0.3245 0.1913 1767SOL H120404 4.419 5.351 8.209 1.9066 0.5290 0.9467 1767SOL H220405 4.313 5.394 8.310 1.4435 -1.2790 1.2659 1768SOL OH220406 5.662 0.596 7.995 0.6944 0.2550 0.9703 1768SOL H120407 5.609 0.667 8.032 0.0239 0.3852 -0.1884 1768SOL H220408 5.691 0.629 7.910 -0.0911 -1.0478 0.1598 1769SOL OH220409 5.029 4.062 7.099 -0.6457 -0.2934 0.3350 1769SOL H120410 4.983 4.119 7.038 -0.3198 0.6462 0.9297 1769SOL H220411 5.092 4.121 7.142 2.0506 -1.7340 -1.3491 1770SOL OH220412 1.672 4.543 0.216 0.7340 0.3507 0.2038 1770SOL H120413 1.646 4.593 0.138 0.1373 1.8840 1.3253 1770SOL H220414 1.713 4.608 0.273 0.3605 -0.5536 1.5402 1771SOL OH220415 5.488 4.864 0.874 -0.5023 -0.5661 -0.3571 1771SOL H120416 5.480 4.805 0.798 2.6454 0.5629 -1.7354 1771SOL H220417 5.541 4.815 0.937 -1.0159 -0.5645 0.0831 1772SOL OH220418 2.024 3.590 1.276 0.0523 -0.6188 0.1806 1772SOL H120419 2.081 3.567 1.203 0.4114 -3.3549 1.1956 1772SOL H220420 2.063 3.545 1.351 -0.8588 1.2916 1.8878 1773SOL OH220421 3.456 1.086 7.028 0.1323 0.2643 -0.2165 1773SOL H120422 3.366 1.089 7.059 0.2300 -0.5942 0.1840 1773SOL H220423 3.496 1.166 7.062 -0.6613 1.0223 -1.0249 1774SOL OH220424 1.064 4.926 0.226 0.0217 -1.0000 0.3422 1774SOL H120425 1.127 4.870 0.271 0.2223 -0.3311 0.9107 1774SOL H220426 0.994 4.940 0.290 1.2916 1.6643 1.2647 1775SOL OH220427 2.893 5.340 1.095 -0.1614 0.1678 -0.9343 1775SOL H120428 2.805 5.379 1.099 0.7686 2.3491 -0.5059 1775SOL H220429 2.878 5.246 1.108 -2.5340 0.3081 -2.0792 1776SOL OH220430 0.101 5.897 1.575 0.8065 -0.1577 -0.7179 1776SOL H120431 0.079 5.816 1.621 0.2038 0.5032 0.2081 1776SOL H220432 0.179 5.930 1.620 -0.6313 1.2574 0.9151 1777SOL OH220433 2.992 1.279 7.276 -0.0877 0.0672 0.0332 1777SOL H120434 3.041 1.302 7.354 2.3097 0.6279 -1.5380 1777SOL H220435 2.933 1.209 7.304 -0.1749 1.0637 2.5590 1778SOL OH220436 5.525 5.190 8.230 -0.4689 -0.1324 -0.4317 1778SOL H120437 5.509 5.282 8.246 1.9281 0.6311 -1.8514 1778SOL H220438 5.555 5.186 8.139 0.8382 -2.0689 0.0168 1779SOL OH220439 2.569 4.724 1.425 0.2133 0.0642 0.1159 1779SOL H120440 2.570 4.673 1.505 -0.4649 1.3158 0.9584 1779SOL H220441 2.626 4.799 1.444 1.1610 -0.3197 -1.0707 1780SOL OH220442 2.305 2.646 8.001 -0.7307 -0.3925 -0.2599 1780SOL H120443 2.362 2.590 8.053 2.2428 1.6616 -1.0192 1780SOL H220444 2.287 2.722 8.057 -2.6830 -0.9177 -0.1015 1781SOL OH220445 5.475 4.466 6.348 -0.3717 -0.0111 0.5894 1781SOL H120446 5.407 4.415 6.305 -0.9764 0.1423 1.3472 1781SOL H220447 5.537 4.401 6.380 1.0335 -0.0702 -1.9907 1782SOL OH220448 3.587 1.988 8.014 -0.3436 0.0998 -0.1832 1782SOL H120449 3.506 2.026 7.979 -0.4307 0.3527 0.2785 1782SOL H220450 3.588 1.898 7.982 0.9221 1.0455 -3.0778 1783SOL OH220451 1.695 5.987 0.132 -0.0287 -0.3183 0.1077 1783SOL H120452 1.714 5.919 0.067 -1.2213 -0.0348 -0.5810 1783SOL H220453 1.761 6.054 0.116 -0.1372 -0.3756 -0.6419 1784SOL OH220454 5.613 1.378 7.924 -0.0395 0.0341 -0.9748 1784SOL H120455 5.628 1.285 7.943 -1.5377 0.0075 0.3743 1784SOL H220456 5.700 1.413 7.906 1.1388 -0.8994 2.1447 1785SOL OH220457 1.064 1.827 1.809 -0.0723 -0.2905 -0.3196 1785SOL H120458 1.042 1.857 1.721 3.1817 0.8852 -0.8665 1785SOL H220459 1.121 1.751 1.796 1.3521 0.5410 0.6460 1786SOL OH220460 2.255 0.769 1.097 0.1035 -0.1218 0.4850 1786SOL H120461 2.217 0.852 1.069 0.3376 0.6895 2.3883 1786SOL H220462 2.180 0.711 1.109 -0.0521 -0.2371 -0.9776 1787SOL OH220463 0.440 4.854 0.486 -0.2322 0.4970 -0.0773 1787SOL H120464 0.411 4.788 0.423 1.1710 -1.6200 1.3905 1787SOL H220465 0.366 4.914 0.492 -1.2666 -0.4637 -2.0525 1788SOL OH220466 2.317 2.270 0.506 0.3074 0.3730 0.4481 1788SOL H120467 2.288 2.185 0.538 -1.3604 1.2207 1.3273 1788SOL H220468 2.366 2.308 0.579 1.4210 0.0311 -0.0928 1789SOL OH220469 3.753 6.046 8.328 0.0651 0.4887 -0.2323 1789SOL H120470 3.784 5.967 8.283 -0.5240 -0.5900 1.1857 1789SOL H220471 3.659 6.031 8.340 0.2675 0.5618 1.6737 1790SOL OH220472 2.832 2.681 6.694 -0.0908 0.4236 0.0632 1790SOL H120473 2.817 2.617 6.624 -0.8397 1.3587 -0.6593 1790SOL H220474 2.871 2.630 6.765 -0.3360 -0.7605 -0.6219 1791SOL OH220475 4.342 1.936 6.654 0.2845 -0.2421 -0.0474 1791SOL H120476 4.415 1.875 6.651 -0.0620 -0.6139 -1.2164 1791SOL H220477 4.321 1.942 6.748 1.2713 -0.7578 0.2250 1792SOL OH220478 5.837 4.699 7.280 -0.2296 -0.4892 0.5570 1792SOL H120479 5.763 4.689 7.221 0.3882 -1.7439 -0.0492 1792SOL H220480 5.890 4.620 7.266 0.7095 -0.0952 1.6894 1793SOL OH220481 1.217 2.551 7.010 0.5185 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H120587 1.173 2.715 0.479 -1.0092 2.3441 1.2403 1828SOL H220588 1.158 2.580 0.547 2.6173 -0.1419 -2.3422 1829SOL OH220589 1.924 0.542 6.804 -0.1427 0.2516 -0.2848 1829SOL H120590 1.995 0.552 6.867 0.5749 -0.8586 -0.8810 1829SOL H220591 1.870 0.471 6.838 1.7833 -2.3091 -2.1923 1830SOL OH220592 5.859 0.266 0.926 0.0673 0.4718 -0.1811 1830SOL H120593 5.955 0.259 0.924 -0.0425 -4.3077 -0.7254 1830SOL H220594 5.834 0.260 0.834 -0.7558 -0.7391 0.1043 1831SOL OH220595 1.641 0.705 1.965 -0.2488 -0.7221 0.1857 1831SOL H120596 1.618 0.737 2.052 -0.7986 -0.6760 0.0244 1831SOL H220597 1.700 0.772 1.929 -2.2532 0.7201 -0.5856 1832SOL OH220598 0.661 4.214 1.496 0.0285 -0.0240 -0.0588 1832SOL H120599 0.733 4.180 1.443 0.5928 0.8287 0.1406 1832SOL H220600 0.664 4.162 1.577 0.6639 0.2524 0.1017 1833SOL OH220601 4.136 5.557 8.017 -0.1870 0.3479 0.1166 1833SOL H120602 4.210 5.596 7.971 1.0478 0.7219 2.2931 1833SOL H220603 4.060 5.607 7.986 0.4473 0.0493 -2.0476 1834SOL OH220604 3.437 2.828 7.808 0.9172 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OH220622 5.752 0.563 7.055 -0.0151 0.1528 0.2959 1840SOL H120623 5.748 0.529 6.965 1.2421 -2.7363 1.2095 1840SOL H220624 5.777 0.655 7.045 -2.1294 0.5646 -2.3354 1841SOL OH220625 5.597 5.334 1.703 -0.0456 0.1079 0.3105 1841SOL H120626 5.531 5.378 1.756 0.5893 0.4810 0.8242 1841SOL H220627 5.576 5.241 1.709 -0.9635 0.2805 -0.1666 1842SOL OH220628 1.667 1.303 0.807 -0.2077 -0.4477 -0.3199 1842SOL H120629 1.756 1.332 0.828 -0.1049 -0.3900 -0.8160 1842SOL H220630 1.675 1.209 0.795 -0.5562 -0.7263 1.3701 1843SOL OH220631 3.982 1.350 6.187 0.3817 -0.2969 0.3024 1843SOL H120632 3.961 1.403 6.110 1.7182 0.5164 0.4597 1843SOL H220633 3.899 1.313 6.215 0.0269 -1.6262 -2.2557 1844SOL OH220634 3.932 3.423 8.245 0.4347 -0.2377 0.0548 1844SOL H120635 3.914 3.368 8.321 1.4007 0.3163 0.7124 1844SOL H220636 3.928 3.363 8.170 -1.4553 -0.6203 0.4041 1845SOL OH220637 4.911 2.599 7.186 0.2395 -0.0968 0.5069 1845SOL H120638 4.989 2.545 7.200 0.5740 0.7992 2.4058 1845SOL H220639 4.837 2.538 7.195 0.6644 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-1.2401 -0.3445 0.1892 1863SOL H220693 1.818 5.772 2.000 1.2370 1.0803 -0.0477 1864SOL OH220694 0.928 6.076 6.845 0.4269 -0.2177 0.2859 1864SOL H120695 0.948 5.983 6.856 0.5894 -1.1003 -4.8221 1864SOL H220696 0.833 6.081 6.846 0.3769 -0.7392 -0.6806 1865SOL OH220697 1.384 1.762 1.564 -0.8699 0.1633 -0.6232 1865SOL H120698 1.328 1.725 1.495 -2.0277 0.3220 0.2062 1865SOL H220699 1.343 1.735 1.646 1.2184 -1.1283 0.0662 1866SOL OH220700 5.438 5.965 7.602 0.8358 0.0598 0.2332 1866SOL H120701 5.432 6.044 7.548 -0.9622 -0.3371 -0.2453 1866SOL H220702 5.376 5.904 7.561 1.5056 -1.2772 1.1266 1867SOL OH220703 4.816 1.782 8.304 -0.1817 0.2324 -0.5036 1867SOL H120704 4.874 1.827 8.243 -0.4684 -0.5438 -1.3881 1867SOL H220705 4.728 1.803 8.273 -0.3613 0.6207 0.2463 1868SOL OH220706 4.510 4.859 1.026 0.2036 -0.4426 -0.6121 1868SOL H120707 4.524 4.815 0.942 -0.3965 1.6331 -1.8692 1868SOL H220708 4.426 4.903 1.017 -0.6179 -1.3946 1.6823 1869SOL OH220709 1.322 1.969 6.387 -0.1347 0.1845 -0.7757 1869SOL H120710 1.386 2.039 6.399 0.0298 0.0554 -0.9065 1869SOL H220711 1.371 1.888 6.400 -0.5356 0.1062 0.3923 1870SOL OH220712 4.910 1.929 7.279 0.2739 -0.1906 -0.3307 1870SOL H120713 4.820 1.925 7.247 0.1682 -0.2301 -0.0242 1870SOL H220714 4.947 2.007 7.236 -0.0923 0.1863 0.0241 1871SOL OH220715 3.304 2.113 1.161 -0.0059 0.1049 -0.4129 1871SOL H120716 3.374 2.122 1.226 1.5018 -0.1921 -1.9484 1871SOL H220717 3.308 2.193 1.109 0.0289 -0.4510 -1.2863 1872SOL OH220718 1.254 5.013 0.385 -0.7855 -0.8583 0.6249 1872SOL H120719 1.238 4.919 0.392 -1.4664 -0.8935 -0.9460 1872SOL H220720 1.186 5.045 0.325 1.7640 -0.0705 -2.0965 1873SOL OH220721 1.735 4.764 0.727 -0.2528 0.4744 -0.2971 1873SOL H120722 1.684 4.740 0.649 3.7148 -1.8498 -2.5498 1873SOL H220723 1.785 4.841 0.700 -0.6565 1.1922 0.9290 1874SOL OH220724 4.504 3.391 8.316 0.2432 0.6588 0.3635 1874SOL H120725 4.518 3.356 8.228 -1.7796 -0.3479 0.3779 1874SOL H220726 4.520 3.485 8.307 0.2253 0.5498 -1.0464 1875SOL OH220727 5.456 0.105 8.210 0.4590 -0.2101 -0.1077 1875SOL H120728 5.438 0.193 8.245 -2.0393 -0.8992 0.5818 1875SOL H220729 5.501 0.061 8.281 -1.7091 -0.5897 1.1428 1876SOL OH220730 1.966 5.432 8.227 -0.9530 0.0804 0.0160 1876SOL H120731 1.874 5.453 8.246 -1.1971 -0.5786 -0.4095 1876SOL H220732 2.005 5.415 8.313 -1.2295 0.3526 0.1980 1877SOL OH220733 1.210 5.371 7.650 -0.0398 0.5014 -0.7404 1877SOL H120734 1.164 5.453 7.635 3.3115 2.4441 -1.3018 1877SOL H220735 1.213 5.362 7.745 -1.9839 -0.0276 -0.6843 1878SOL OH220736 3.510 5.080 1.328 -0.0777 -0.2940 -0.0896 1878SOL H120737 3.577 5.149 1.333 -0.0719 -0.2673 -0.5315 1878SOL H220738 3.523 5.028 1.407 -1.3135 1.3392 1.2556 1879SOL OH220739 3.308 3.240 7.553 0.3061 -0.3075 0.0356 1879SOL H120740 3.382 3.287 7.516 -1.1295 -0.1648 -2.9766 1879SOL H220741 3.275 3.298 7.622 1.9948 0.3403 0.3492 1880SOL OH220742 5.309 3.761 7.198 -0.2574 0.1308 -0.2009 1880SOL H120743 5.358 3.803 7.269 -1.3836 -0.7327 1.1458 1880SOL H220744 5.272 3.834 7.148 0.2915 0.7557 0.2884 1881SOL OH220745 3.803 0.975 7.300 0.0729 0.6754 -0.5324 1881SOL H120746 3.777 1.047 7.358 -0.2357 0.8892 -0.9256 1881SOL H220747 3.892 0.996 7.274 0.5074 0.1588 0.4946 1882SOL OH220748 4.186 0.144 6.192 0.2480 -0.1073 0.7232 1882SOL H120749 4.105 0.118 6.236 1.3090 -0.2111 2.6969 1882SOL H220750 4.181 0.102 6.106 -1.9226 0.1635 0.6642 1883SOL OH220751 0.466 6.017 5.865 -0.3912 0.2396 0.0214 1883SOL H120752 0.424 5.931 5.872 -0.2380 0.1938 0.4296 1883SOL H220753 0.551 6.005 5.907 -1.2022 1.1343 2.0826 1884SOL OH220754 4.344 2.691 6.928 -0.2835 0.0087 -0.0276 1884SOL H120755 4.435 2.704 6.952 -0.2455 0.4415 -0.3943 1884SOL H220756 4.295 2.719 7.005 -0.1616 1.4080 -0.4300 1885SOL OH220757 1.669 1.628 8.124 -0.1126 -0.0025 0.3375 1885SOL H120758 1.720 1.547 8.128 -0.3158 -0.1919 -0.4671 1885SOL H220759 1.634 1.628 8.034 -1.1115 0.3593 0.7174 1886SOL OH220760 5.806 0.878 7.784 0.2718 -0.8808 0.2792 1886SOL H120761 5.801 0.884 7.880 -0.3443 0.0344 0.2049 1886SOL H220762 5.886 0.924 7.761 -0.3786 0.2792 0.2630 1887SOL OH220763 5.976 5.753 8.072 0.8081 0.0223 0.6054 1887SOL H120764 5.950 5.662 8.054 -1.1153 0.0596 2.7365 1887SOL H220765 5.974 5.795 7.986 -1.5087 -1.2356 -0.0565 1888SOL OH220766 0.499 2.502 1.297 0.4609 -0.7844 0.0868 1888SOL H120767 0.585 2.460 1.302 0.7256 -0.2019 0.4898 1888SOL H220768 0.517 2.588 1.257 -0.1267 -1.1830 -1.0856 1889SOL OH220769 5.413 1.043 1.089 0.9180 0.2264 0.2002 1889SOL H120770 5.383 1.130 1.065 -0.5365 0.1025 1.4531 1889SOL H220771 5.420 0.996 1.005 0.5558 1.1753 -0.3693 1890SOL OH220772 2.386 1.349 6.410 0.3979 0.0870 0.2691 1890SOL H120773 2.305 1.395 6.430 1.5413 2.5294 -0.4158 1890SOL H220774 2.404 1.367 6.318 2.2565 0.5405 0.6654 1891SOL OH220775 4.259 3.555 0.303 -0.0125 -0.5139 0.5287 1891SOL H120776 4.251 3.551 0.398 0.5177 0.7878 0.6499 1891SOL H220777 4.352 3.574 0.288 -0.4314 1.2455 -0.1360 1892SOL OH220778 3.025 2.977 6.862 -0.2888 -0.4703 0.0198 1892SOL H120779 2.942 2.983 6.911 -0.1835 -0.7028 0.2289 1892SOL H220780 3.072 3.057 6.886 0.4703 -1.3539 1.6133 1893SOL OH220781 2.654 0.182 6.534 -0.5143 -0.2507 -0.4686 1893SOL H120782 2.609 0.099 6.517 -0.6567 0.2626 -2.8738 1893SOL H220783 2.700 0.202 6.453 2.5007 0.2691 1.2096 1894SOL OH220784 0.461 0.368 7.406 -0.8008 0.1805 0.1315 1894SOL H120785 0.451 0.359 7.312 -1.4146 -1.9200 0.3451 1894SOL H220786 0.536 0.312 7.428 -0.4551 0.9082 0.8499 1895SOL OH220787 5.226 4.331 0.482 -0.5275 -0.2445 -0.2678 1895SOL H120788 5.301 4.310 0.538 -1.5610 -0.7001 0.9784 1895SOL H220789 5.266 4.363 0.401 1.0216 0.4168 0.7007 1896SOL OH220790 3.446 1.012 0.762 -0.4693 0.0941 0.4184 1896SOL H120791 3.406 0.933 0.800 -0.1473 -0.1548 0.2458 1896SOL H220792 3.529 0.981 0.726 -1.1010 0.1830 -1.1564 1897SOL OH220793 3.567 4.684 7.756 0.3880 0.4927 -0.4120 1897SOL H120794 3.589 4.657 7.845 -0.4241 -0.5258 -0.4985 1897SOL H220795 3.549 4.602 7.710 1.8498 0.9151 -1.8278 1898SOL OH220796 2.562 3.341 7.719 -0.2117 -0.1189 0.2231 1898SOL H120797 2.547 3.323 7.812 0.6411 0.8031 0.5576 1898SOL H220798 2.480 3.378 7.687 0.0271 1.1646 1.0418 1899SOL OH220799 3.717 5.379 1.485 1.0035 0.1093 -0.6955 1899SOL H120800 3.667 5.391 1.404 1.2982 -0.4318 -0.9620 1899SOL H220801 3.688 5.450 1.542 0.4446 0.2106 -1.1024 1900SOL OH220802 2.439 2.004 8.322 -0.2896 0.5136 -0.3728 1900SOL H120803 2.486 2.038 8.398 1.9294 -1.7041 -0.6332 1900SOL H220804 2.475 2.052 8.248 0.0324 0.2815 -0.3657 1901SOL OH220805 2.697 5.804 7.231 0.3560 0.5425 0.3829 1901SOL H120806 2.754 5.774 7.301 1.4576 1.1080 -0.2489 1901SOL H220807 2.655 5.883 7.266 -0.8660 -0.4364 1.2264 1902SOL OH220808 0.452 1.432 0.311 0.2465 0.3749 -0.1646 1902SOL H120809 0.474 1.524 0.298 -0.3290 0.3307 -1.5272 1902SOL H220810 0.359 1.432 0.332 0.1629 0.0723 -0.5348 1903SOL OH220811 5.104 2.029 1.222 -0.9163 -0.1264 -0.7666 1903SOL H120812 5.029 1.977 1.251 -1.8318 0.9457 -1.1557 1903SOL H220813 5.086 2.050 1.131 -0.4773 0.7237 -0.6689 1904SOL OH220814 3.187 5.438 1.755 -0.1695 -0.4537 0.0654 1904SOL H120815 3.143 5.398 1.830 0.4524 1.7720 1.7155 1904SOL H220816 3.116 5.477 1.704 -0.4007 0.8102 1.2843 1905SOL OH220817 0.430 1.195 7.914 -0.9099 -0.2789 0.6522 1905SOL H120818 0.414 1.104 7.940 -1.8636 0.5198 3.1159 1905SOL H220819 0.359 1.216 7.854 -1.7168 -0.6453 1.4622 1906SOL OH220820 4.919 0.374 0.014 -0.0159 0.1473 0.1452 1906SOL H120821 4.892 0.460 -0.018 1.2013 -0.0069 -1.4576 1906SOL H220822 4.840 0.320 0.010 -0.1636 0.4449 -1.6442 1907SOL OH220823 3.491 0.395 1.807 0.2032 0.3126 -0.0048 1907SOL H120824 3.444 0.390 1.890 0.8499 -0.5345 0.3304 1907SOL H220825 3.456 0.472 1.764 -0.1384 0.7723 1.0606 1908SOL OH220826 5.464 4.564 7.348 0.4168 -0.0145 0.1378 1908SOL H120827 5.537 4.554 7.409 -0.4887 0.0446 1.2679 1908SOL H220828 5.392 4.516 7.389 0.4080 -2.0770 -2.0686 1909SOL OH220829 1.476 5.948 1.481 0.9440 -0.2881 -0.1440 1909SOL H120830 1.509 6.002 1.553 -0.2185 -0.3683 0.4654 1909SOL H220831 1.555 5.916 1.438 1.7319 2.7721 -1.2424 1910SOL OH220832 5.419 3.799 0.863 -0.1038 -0.6300 0.8074 1910SOL H120833 5.499 3.840 0.896 -1.3227 1.5963 1.1310 1910SOL H220834 5.431 3.706 0.884 2.3107 -0.3570 0.9848 1911SOL OH220835 5.352 1.328 1.395 0.1988 0.0359 0.2770 1911SOL H120836 5.440 1.319 1.429 1.5943 2.1316 -2.4030 1911SOL H220837 5.347 1.265 1.322 -0.5267 -0.0667 0.3995 1912SOL OH220838 2.843 2.357 6.720 -0.2780 -0.0199 0.3208 1912SOL H120839 2.927 2.311 6.723 -0.6175 -0.6164 1.3333 1912SOL H220840 2.830 2.378 6.628 -0.4685 -2.6665 -0.3534 1913SOL OH220841 3.357 0.028 7.547 -0.0560 -0.4138 0.2849 1913SOL H120842 3.283 -0.031 7.548 -1.4780 1.2643 1.9398 1913SOL H220843 3.319 0.115 7.558 2.0036 0.7573 -1.0584 1914SOL OH220844 2.816 5.046 7.923 0.3996 -0.0714 -0.0187 1914SOL H120845 2.838 4.996 8.002 0.1589 0.9072 0.6731 1914SOL H220846 2.897 5.092 7.901 0.2848 0.1448 0.0149 1915SOL OH220847 2.793 0.077 2.392 0.1542 -0.2064 0.8300 1915SOL H120848 2.883 0.108 2.377 0.1685 -1.2106 -1.6210 1915SOL H220849 2.801 0.016 2.465 1.3136 0.3267 1.1804 1916SOL OH220850 4.880 5.893 1.082 0.6098 0.5935 -0.5029 1916SOL H120851 4.858 5.899 0.989 1.2599 -1.5393 -0.8461 1916SOL H220852 4.919 5.979 1.103 -0.9566 1.6668 -1.7628 1917SOL OH220853 0.734 2.152 8.427 0.0440 0.6382 -0.3364 1917SOL H120854 0.689 2.232 8.456 0.7084 0.9759 -0.2343 1917SOL H220855 0.786 2.179 8.352 -1.6187 -0.2250 -1.8953 1918SOL OH220856 4.307 4.949 0.540 -0.1970 0.1461 -0.7080 1918SOL H120857 4.386 4.897 0.556 -1.0234 -1.6641 -2.1868 1918SOL H220858 4.340 5.038 0.529 1.5594 -0.4307 -0.4802 1919SOL OH220859 3.579 0.349 6.121 -0.0039 -0.1167 -0.7871 1919SOL H120860 3.640 0.277 6.134 1.0115 1.0294 1.4174 1919SOL H220861 3.535 0.359 6.206 -2.1060 0.1501 -1.8336 1920SOL OH220862 0.514 3.640 8.223 0.3660 0.7120 -0.2715 1920SOL H120863 0.533 3.612 8.313 -2.2946 0.6495 0.3597 1920SOL H220864 0.462 3.569 8.186 0.1070 1.4238 -1.3188 1921SOL OH220865 5.304 0.387 1.542 0.2850 0.2691 0.1218 1921SOL H120866 5.253 0.463 1.514 -0.6719 -1.0716 -1.9362 1921SOL H220867 5.239 0.322 1.568 1.0153 -0.5693 -0.0968 1922SOL OH220868 0.940 3.004 7.213 0.0378 -0.4000 0.4053 1922SOL H120869 0.868 2.985 7.153 0.1081 -0.8556 0.4619 1922SOL H220870 1.017 3.014 7.156 -0.1151 0.3703 0.3194 1923SOL OH220871 2.484 3.031 1.012 0.3606 -0.1475 0.0191 1923SOL H120872 2.457 3.120 1.034 -1.5598 -0.8426 0.6884 1923SOL H220873 2.460 3.021 0.920 -1.9678 -0.7845 0.6260 1924SOL OH220874 0.693 3.136 6.559 -0.2012 -0.5647 -0.2731 1924SOL H120875 0.731 3.200 6.618 -1.4954 1.4682 -1.5307 1924SOL H220876 0.765 3.075 6.540 1.5842 1.4431 -0.2852 1925SOL OH220877 2.372 1.813 0.919 0.4554 1.2121 0.4745 1925SOL H120878 2.337 1.792 0.833 1.5908 0.3655 0.1918 1925SOL H220879 2.295 1.828 0.974 -0.2916 2.9303 -0.9357 1926SOL OH220880 2.365 4.791 1.232 -0.6976 -0.3752 -0.2659 1926SOL H120881 2.449 4.774 1.275 -1.2359 -3.6183 -0.2954 1926SOL H220882 2.389 4.823 1.145 0.4717 0.1279 0.2168 1927SOL OH220883 5.643 2.935 6.705 0.1435 -0.4705 -0.3050 1927SOL H120884 5.615 2.998 6.772 0.2465 -0.3342 -0.3899 1927SOL H220885 5.738 2.944 6.702 0.0953 -0.0865 -0.8536 1928SOL OH220886 4.110 4.755 0.172 0.2016 -0.1653 0.1605 1928SOL H120887 4.057 4.813 0.227 1.1032 -0.3830 1.2717 1928SOL H220888 4.160 4.815 0.116 -1.0699 0.0471 -0.8016 1929SOL OH220889 3.976 0.130 8.272 -0.9373 -0.3352 -0.2327 1929SOL H120890 3.993 0.050 8.222 0.7556 -0.3725 0.3300 1929SOL H220891 3.881 0.132 8.283 -1.1994 -1.2252 -1.9296 1930SOL OH220892 2.326 3.512 7.729 -0.4360 0.1503 -0.7972 1930SOL H120893 2.251 3.459 7.702 -1.7922 1.9734 -0.7954 1930SOL H220894 2.347 3.566 7.653 1.5907 -1.0119 -1.1545 1931SOL OH220895 1.158 5.254 0.611 -0.1424 -0.5288 -0.1833 1931SOL H120896 1.158 5.171 0.659 1.3254 -0.5891 -0.2376 1931SOL H220897 1.139 5.231 0.521 -0.5245 -0.7040 -0.0596 1932SOL OH220898 0.468 2.756 0.468 0.0234 0.1348 0.1877 1932SOL H120899 0.489 2.694 0.537 0.0765 0.9963 0.9597 1932SOL H220900 0.411 2.821 0.510 -1.1932 -0.1362 -0.9512 1933SOL OH220901 1.982 2.229 2.147 0.5746 0.4318 0.0300 1933SOL H120902 2.058 2.194 2.194 1.4181 1.8399 -0.2335 1933SOL H220903 1.953 2.157 2.091 0.2764 -0.9008 1.7831 1934SOL OH220904 2.743 5.936 1.839 0.5645 0.4627 -0.3772 1934SOL H120905 2.774 5.961 1.751 0.5257 -1.9443 -1.1502 1934SOL H220906 2.822 5.903 1.883 0.2241 -0.0861 -0.1785 1935SOL OH220907 4.590 2.729 7.050 -0.1936 -0.1513 -0.5403 1935SOL H120908 4.602 2.649 7.101 1.8780 0.0872 -0.5379 1935SOL H220909 4.668 2.732 6.993 -1.4892 0.5513 -2.3859 1936SOL OH220910 1.441 0.030 0.056 -0.5195 0.2470 0.8315 1936SOL H120911 1.377 -0.027 0.099 -0.2871 -1.1082 -0.5406 1936SOL H220912 1.525 0.007 0.097 -0.6786 0.9236 1.5520 1937SOL OH220913 5.660 3.621 7.629 0.0888 0.2141 0.3025 1937SOL H120914 5.737 3.579 7.666 0.1178 0.8642 1.0029 1937SOL H220915 5.587 3.565 7.654 0.2930 -0.2536 -0.1235 1938SOL OH220916 5.208 2.654 1.945 -0.4717 0.1622 -0.1462 1938SOL H120917 5.128 2.680 1.900 -0.9565 0.1203 0.6868 1938SOL H220918 5.253 2.736 1.964 -0.1802 0.1736 -0.8361 1939SOL OH220919 1.692 0.203 0.102 -0.5305 -0.1666 0.0972 1939SOL H120920 1.724 0.167 0.185 0.5303 0.1305 -0.1746 1939SOL H220921 1.638 0.278 0.128 2.5818 2.1658 0.4940 1940SOL OH220922 4.281 1.832 8.246 0.7834 0.8138 -0.1649 1940SOL H120923 4.223 1.759 8.228 1.2409 0.1894 0.8048 1940SOL H220924 4.362 1.791 8.276 0.5270 1.7257 1.9250 1941SOL OH220925 3.238 1.346 6.776 0.3881 0.1314 0.1177 1941SOL H120926 3.162 1.404 6.776 -0.0891 -0.4868 -0.1471 1941SOL H220927 3.280 1.361 6.861 1.3551 2.2364 -0.6417 1942SOL OH220928 4.398 1.612 6.391 0.3354 0.2716 0.1052 1942SOL H120929 4.345 1.672 6.443 1.2689 0.2871 1.0527 1942SOL H220930 4.376 1.525 6.423 -0.6586 0.1088 -0.9411 1943SOL OH220931 3.849 5.836 1.557 -0.4038 0.2866 0.2281 1943SOL H120932 3.778 5.783 1.594 -0.9201 0.8058 0.0055 1943SOL H220933 3.804 5.903 1.506 0.2360 0.9574 0.5300 1944SOL OH220934 2.818 5.468 1.891 0.1811 -0.0467 0.3888 1944SOL H120935 2.795 5.534 1.956 0.2241 1.6376 -1.2435 1944SOL H220936 2.735 5.445 1.849 0.3820 0.1297 -0.1089 1945SOL OH220937 0.534 3.170 8.277 -0.6014 0.3057 0.0481 1945SOL H120938 0.475 3.129 8.339 -0.1860 -1.9931 -0.9640 1945SOL H220939 0.483 3.240 8.237 -2.3340 -0.9841 -0.0884 1946SOL OH220940 2.724 3.347 6.940 -0.9477 0.0422 0.1298 1946SOL H120941 2.753 3.357 6.849 -0.9205 2.9757 0.3673 1946SOL H220942 2.790 3.291 6.980 0.4448 0.7304 -1.0975 1947SOL OH220943 5.603 4.453 8.094 -0.0491 0.3992 -0.3377 1947SOL H120944 5.583 4.398 8.170 0.8816 -0.9756 -1.0421 1947SOL H220945 5.688 4.492 8.115 0.1849 0.0568 -0.6385 1948SOL OH220946 2.880 0.448 8.337 -0.0571 -0.2146 0.8224 1948SOL H120947 2.964 0.433 8.380 -0.1490 -0.4583 0.9167 1948SOL H220948 2.892 0.416 8.248 0.3760 0.9910 0.4315 1949SOL OH220949 1.565 2.841 8.438 -0.2706 -0.0192 -0.3236 1949SOL H120950 1.492 2.901 8.424 0.4220 0.5539 -1.6548 1949SOL H220951 1.616 2.880 8.509 0.0822 0.9040 -1.0644 1950SOL OH220952 0.180 2.684 8.336 -0.2043 -0.0505 0.6385 1950SOL H120953 0.154 2.649 8.251 -1.0341 -0.0334 0.8812 1950SOL H220954 0.100 2.684 8.388 0.5790 -1.3682 1.8891 1951SOL OH220955 4.314 3.900 8.404 0.3212 0.0126 -0.7513 1951SOL H120956 4.351 3.856 8.328 0.3906 -0.7493 -0.2913 1951SOL H220957 4.242 3.843 8.432 1.3402 -0.6200 0.7407 1952SOL OH220958 1.126 4.960 1.002 0.3585 0.1431 0.4155 1952SOL H120959 1.046 4.987 0.958 1.4973 -1.0721 -2.7234 1952SOL H220960 1.138 4.869 0.975 3.0162 0.4420 0.3407 1953SOL OH220961 0.580 3.520 6.710 0.2684 -0.5592 0.1267 1953SOL H120962 0.668 3.499 6.740 0.7435 1.3331 0.1532 1953SOL H220963 0.580 3.615 6.698 -2.2884 -0.2553 1.7887 1954SOL OH220964 5.814 3.488 2.070 -0.1773 0.2408 0.1799 1954SOL H120965 5.731 3.451 2.101 -0.9533 1.7740 -0.0070 1954SOL H220966 5.858 3.518 2.150 -2.6634 5.2169 0.0734 1955SOL OH220967 3.570 1.787 6.524 -0.1556 0.4720 0.3304 1955SOL H120968 3.549 1.819 6.611 -1.4883 -0.4886 0.3910 1955SOL H220969 3.503 1.825 6.467 -0.8015 -0.8520 0.1554 1956SOL OH220970 0.316 4.276 0.683 0.3561 -0.0011 1.0328 1956SOL H120971 0.391 4.253 0.738 -0.3712 -0.3723 1.8830 1956SOL H220972 0.297 4.197 0.633 0.3905 0.0248 0.9789 1957SOL OH220973 0.590 2.790 7.318 0.4703 0.2609 0.2055 1957SOL H120974 0.663 2.742 7.357 0.7873 1.6463 1.4394 1957SOL H220975 0.560 2.735 7.246 1.7687 -1.0377 0.6104 1958SOL OH220976 0.316 4.016 0.578 -0.1706 0.4494 0.6972 1958SOL H120977 0.389 3.959 0.604 0.3353 -0.2775 -1.9771 1958SOL H220978 0.243 3.956 0.562 -0.7470 0.9655 1.3161 1959SOL OH220979 3.339 0.090 6.340 0.0549 -0.0568 -0.0762 1959SOL H120980 3.431 0.113 6.351 0.1638 0.6718 -2.1212 1959SOL H220981 3.338 0.029 6.267 -1.1213 0.3893 -0.4593 1960SOL OH220982 1.968 1.469 8.156 0.1919 -0.5690 -0.2634 1960SOL H120983 2.005 1.390 8.197 0.9841 -1.6245 -2.8381 1960SOL H220984 1.978 1.454 8.062 -2.8122 1.0887 -0.9660 1961SOL OH220985 3.561 2.458 7.960 -0.1724 0.6039 0.1804 1961SOL H120986 3.635 2.431 7.906 0.5145 0.5657 1.1346 1961SOL H220987 3.594 2.460 8.049 -1.2503 0.8408 0.5993 1962SOL OH220988 3.541 3.758 7.546 0.1014 -0.0656 -0.0286 1962SOL H120989 3.459 3.730 7.585 1.7436 0.1163 4.0819 1962SOL H220990 3.595 3.679 7.544 1.2670 0.6043 1.7650 1963SOL OH220991 3.434 2.847 6.762 -0.7263 0.0874 -0.3641 1963SOL H120992 3.361 2.876 6.708 -1.2397 -1.2371 -0.4141 1963SOL H220993 3.512 2.869 6.711 -1.1922 -1.0258 -1.6104 1964SOL OH220994 2.884 3.010 8.438 0.0037 0.1496 0.0899 1964SOL H120995 2.963 2.966 8.468 -0.3610 0.2846 1.2948 1964SOL H220996 2.862 3.071 8.509 0.2872 2.0294 -1.3486 1965SOL OH220997 1.865 3.958 1.866 0.1847 0.4587 -0.5916 1965SOL H120998 1.785 3.978 1.818 0.4949 -1.5680 -2.0907 1965SOL H220999 1.855 4.002 1.950 -1.8372 1.4511 -1.3123 1966SOL OH221000 4.574 1.995 6.219 -0.3391 0.3150 0.3800 1966SOL H121001 4.485 1.999 6.182 -1.7631 0.5475 3.4790 1966SOL H221002 4.586 1.902 6.240 0.5183 0.1604 -0.6951 1967SOL OH221003 0.368 1.573 1.362 -0.3321 -0.4641 -0.5832 1967SOL H121004 0.383 1.663 1.392 0.7002 -0.7314 -0.2734 1967SOL H221005 0.360 1.522 1.442 -2.1240 -0.4976 -0.7282 1968SOL OH221006 0.833 1.580 2.450 0.7349 0.5409 0.5023 1968SOL H121007 0.894 1.545 2.515 0.6070 0.6993 0.7108 1968SOL H221008 0.765 1.622 2.502 -0.0946 -0.5159 0.3121 1969SOL OH221009 3.649 1.111 0.322 -0.4786 0.5245 0.3015 1969SOL H121010 3.730 1.155 0.296 -0.1394 -0.3086 -0.1044 1969SOL H221011 3.621 1.157 0.401 0.4497 0.7673 0.5048 1970SOL OH221012 4.832 4.416 6.611 -0.4619 -0.5082 1.0994 1970SOL H121013 4.859 4.391 6.522 -0.8169 1.5488 0.3588 1970SOL H221014 4.914 4.419 6.661 0.3784 2.2990 -0.2543 1971SOL OH221015 3.632 4.558 6.717 -0.6134 -0.5903 0.8761 1971SOL H121016 3.641 4.629 6.654 -0.6326 -0.8001 0.6343 1971SOL H221017 3.537 4.551 6.731 -0.6083 -0.5346 0.9412 1972SOL OH221018 2.550 1.808 1.157 0.3954 0.2220 0.0710 1972SOL H121019 2.496 1.830 1.081 -1.0737 -3.6323 -0.1967 1972SOL H221020 2.638 1.795 1.122 0.4875 1.7223 -0.3252 1973SOL OH221021 5.666 1.795 2.550 -0.4663 -0.1100 -0.1072 1973SOL H121022 5.731 1.842 2.603 0.5997 0.7532 -2.0717 1973SOL H221023 5.715 1.728 2.505 -0.9404 0.4421 -1.4991 1974SOL OH221024 0.131 1.191 7.809 0.6497 -0.3335 0.1376 1974SOL H121025 0.072 1.239 7.751 -0.6947 0.4607 2.0279 1974SOL H221026 0.122 1.100 7.784 0.4602 0.0363 -1.1777 1975SOL OH221027 1.885 0.167 0.984 -0.6861 0.0751 -0.4946 1975SOL H121028 1.970 0.211 0.983 0.9424 -2.7592 0.4986 1975SOL H221029 1.868 0.147 0.892 0.3338 -0.3416 -0.6099 1976SOL OH221030 3.132 3.762 7.234 0.4378 0.2544 0.0342 1976SOL H121031 3.122 3.748 7.328 1.3811 -0.7028 0.0045 1976SOL H221032 3.144 3.675 7.197 -3.6201 0.1582 -1.5070 1977SOL OH221033 5.486 3.320 1.072 -0.1530 -1.0112 0.6000 1977SOL H121034 5.482 3.249 1.008 -1.2160 0.0051 -0.5041 1977SOL H221035 5.556 3.294 1.132 1.2121 -1.7605 -1.2275 1978SOL OH221036 1.997 5.477 7.812 0.3744 0.3873 0.3522 1978SOL H121037 1.981 5.409 7.878 -0.4781 1.5397 1.3912 1978SOL H221038 1.975 5.558 7.857 -1.6939 1.1246 -1.8006 1979SOL OH221039 0.780 4.736 8.008 0.2015 0.1684 -0.2926 1979SOL H121040 0.745 4.648 8.019 0.2657 0.3497 1.7895 1979SOL H221041 0.871 4.723 7.982 -0.0145 -0.3589 -0.7904 1980SOL OH221042 0.991 3.247 1.645 -0.5364 0.6150 0.0754 1980SOL H121043 1.027 3.159 1.633 -0.0743 0.8192 -0.0273 1980SOL H221044 0.953 3.269 1.559 -0.1410 0.7492 -0.0644 1981SOL OH221045 4.888 0.783 7.327 1.2178 -0.5400 0.6639 1981SOL H121046 4.816 0.729 7.360 0.4204 -0.2263 -0.4979 1981SOL H221047 4.905 0.748 7.239 0.0472 1.6397 -0.5032 1982SOL OH221048 3.843 5.505 1.895 0.2973 -0.2732 -0.2860 1982SOL H121049 3.857 5.419 1.856 -0.6865 -0.8329 0.5577 1982SOL H221050 3.823 5.487 1.987 2.6827 1.0108 0.5828 1983SOL OH221051 1.702 0.614 0.802 -0.6062 -0.0128 -0.3260 1983SOL H121052 1.680 0.579 0.888 0.6172 1.4884 0.6429 1983SOL H221053 1.738 0.539 0.755 -0.1834 -0.6044 0.8912 1984SOL OH221054 4.654 1.018 1.334 0.8306 0.1997 -0.3656 1984SOL H121055 4.723 1.063 1.383 1.0858 -0.9474 0.3814 1984SOL H221056 4.647 1.066 1.252 1.6381 1.0987 0.0702 1985SOL OH221057 2.146 3.647 6.539 0.1370 0.2000 0.0397 1985SOL H121058 2.095 3.674 6.615 1.1598 1.4294 0.3194 1985SOL H221059 2.120 3.708 6.470 2.7940 2.3787 0.7975 1986SOL OH221060 3.747 2.663 1.955 0.0235 0.2818 0.6500 1986SOL H121061 3.817 2.666 2.020 0.9570 1.5772 -0.3707 1986SOL H221062 3.672 2.703 1.999 -0.0695 -0.9669 1.6966 1987SOL OH221063 4.971 4.138 7.620 0.6415 0.2146 0.5329 1987SOL H121064 4.928 4.171 7.699 -1.1011 -1.8527 0.5570 1987SOL H221065 5.053 4.100 7.652 0.8432 1.0608 1.0532 1988SOL OH221066 4.056 2.771 0.870 -0.5388 0.2738 0.3998 1988SOL H121067 4.093 2.825 0.940 0.5129 0.8190 -0.5519 1988SOL H221068 3.963 2.795 0.870 -0.0461 2.4456 -0.2548 1989SOL OH221069 5.880 0.625 2.874 -0.8819 0.7096 -0.0525 1989SOL H121070 5.932 0.614 2.794 0.5027 2.0248 0.6079 1989SOL H221071 5.924 0.571 2.939 -1.5869 0.1992 0.0109 1990SOL OH221072 2.875 2.888 2.155 -0.8091 -0.2432 0.2474 1990SOL H121073 2.906 2.799 2.173 -3.1196 -0.8230 1.8433 1990SOL H221074 2.943 2.945 2.193 -0.1627 -1.3658 0.8262 1991SOL OH221075 4.357 5.458 7.009 -0.0123 0.1012 0.5874 1991SOL H121076 4.401 5.378 6.981 1.4123 0.1054 2.6321 1991SOL H221077 4.264 5.435 7.010 0.2827 -1.1934 0.1507 1992SOL OH221078 4.946 1.237 6.095 0.1558 -0.2578 0.1245 1992SOL H121079 4.874 1.298 6.079 0.9094 0.5810 -0.2307 1992SOL H221080 5.025 1.287 6.072 0.8768 -1.0279 0.8171 1993SOL OH221081 2.256 4.198 1.069 -0.0650 0.0013 0.1937 1993SOL H121082 2.327 4.235 1.018 0.2800 0.8990 1.2752 1993SOL H221083 2.296 4.176 1.154 -0.6454 -1.3165 0.1473 1994SOL OH221084 2.946 5.402 6.302 -0.3340 0.8123 -0.4575 1994SOL H121085 2.945 5.471 6.236 -0.0685 0.6976 -0.5792 1994SOL H221086 2.990 5.441 6.377 0.0554 0.6847 -0.6213 1995SOL OH221087 5.236 5.430 6.984 0.6791 -0.0678 -0.4117 1995SOL H121088 5.290 5.479 6.921 1.3668 -1.4294 -0.9199 1995SOL H221089 5.269 5.458 7.069 1.1869 0.2301 -0.6953 1996SOL OH221090 3.152 4.544 6.833 0.5832 0.2847 -0.2425 1996SOL H121091 3.134 4.502 6.748 0.4405 -1.9891 0.8316 1996SOL H221092 3.247 4.548 6.838 0.6165 -0.3599 -0.1923 1997SOL OH221093 1.614 5.247 8.285 0.2433 0.3484 -0.4935 1997SOL H121094 1.680 5.302 8.327 -0.7193 0.8895 0.3441 1997SOL H221095 1.613 5.167 8.337 -1.4631 1.2992 1.0567 1998SOL OH221096 2.621 4.108 8.328 0.3425 0.0705 -0.0984 1998SOL H121097 2.626 4.062 8.244 -1.4779 -0.0576 -0.1769 1998SOL H221098 2.676 4.056 8.387 -1.9617 -2.5557 -0.0600 1999SOL OH221099 3.153 3.205 6.955 1.0231 -0.8606 0.4032 1999SOL H121100 3.241 3.181 6.985 2.8167 1.1710 -2.6687 1999SOL H221101 3.168 3.265 6.882 -2.9471 1.6457 1.3005 2000SOL OH221102 1.170 0.038 0.428 -0.1215 0.0538 0.3552 2000SOL H121103 1.152 0.106 0.363 -3.1515 -0.4067 0.5774 2000SOL H221104 1.176 -0.043 0.377 -0.6011 -0.0612 0.4848 2001SOL OH221105 2.887 5.366 8.268 -0.3561 0.0189 1.0595 2001SOL H121106 2.793 5.374 8.278 -0.8282 -1.8461 -1.1847 2001SOL H221107 2.914 5.304 8.336 -1.2432 -1.6755 -0.0885 2002SOL OH221108 5.048 5.974 8.469 0.0710 0.3770 -0.2242 2002SOL H121109 4.990 5.977 8.393 -1.0392 -1.5757 0.4766 2002SOL H221110 4.990 5.980 8.544 1.0658 1.2800 0.5080 2003SOL OH221111 2.530 5.113 1.502 -1.0523 0.0194 0.3766 2003SOL H121112 2.580 5.045 1.457 -1.1402 0.0452 0.2390 2003SOL H221113 2.451 5.124 1.449 0.4017 2.4983 -1.4663 2004SOL OH221114 4.174 4.421 7.989 -0.9854 -0.0924 -0.5745 2004SOL H121115 4.252 4.369 7.971 -0.3252 1.2676 -1.8337 2004SOL H221116 4.118 4.407 7.913 -1.3705 0.0343 -0.3174 2005SOL OH221117 3.564 4.479 7.102 -0.3777 -0.1806 0.0363 2005SOL H121118 3.641 4.535 7.090 1.2318 -2.0752 0.9667 2005SOL H221119 3.542 4.489 7.195 -1.4147 0.5123 -0.2713 2006SOL OH221120 3.102 0.083 8.261 -0.5224 -0.1663 -0.0096 2006SOL H121121 3.089 0.172 8.295 -3.4320 -0.5830 0.2505 2006SOL H221122 3.053 0.027 8.322 -1.1501 -1.5912 -1.7452 2007SOL OH221123 5.191 0.520 0.792 -0.2054 -0.1141 -0.3166 2007SOL H121124 5.211 0.435 0.832 -0.0622 -1.2539 -2.6122 2007SOL H221125 5.205 0.506 0.698 -2.5557 1.7475 -1.0534 2008SOL OH221126 2.073 2.698 8.277 0.1557 0.5765 -0.2567 2008SOL H121127 1.994 2.752 8.271 0.3367 0.6586 -2.5084 2008SOL H221128 2.145 2.761 8.272 0.3893 0.3636 0.2762 2009SOL OH221129 2.614 0.395 8.218 -0.8730 0.5530 0.8454 2009SOL H121130 2.548 0.331 8.245 -2.5825 2.3497 1.1438 2009SOL H221131 2.698 0.350 8.231 -1.9688 -1.4084 1.5470 2010SOL OH221132 4.714 1.420 7.837 0.8456 0.1073 0.5938 2010SOL H121133 4.668 1.445 7.917 -1.4218 -0.2406 -0.5130 2010SOL H221134 4.720 1.324 7.841 -1.7041 -0.2101 -0.7576 2011SOL OH221135 3.576 1.723 7.902 -0.1329 -0.1003 -0.2044 2011SOL H121136 3.659 1.684 7.874 0.2403 -0.0417 0.7733 2011SOL H221137 3.549 1.671 7.978 -1.2895 -0.4708 -0.8392 2012SOL OH221138 3.342 3.274 1.642 -0.8315 -0.4790 -0.2275 2012SOL H121139 3.325 3.307 1.554 0.9976 1.4754 0.0622 2012SOL H221140 3.437 3.260 1.644 -1.0032 -1.6990 1.0794 2013SOL OH221141 4.163 1.382 0.942 -0.1119 -0.0157 0.2181 2013SOL H121142 4.196 1.472 0.940 -0.6471 0.2048 1.1097 2013SOL H221143 4.222 1.337 1.003 -0.6368 0.0563 0.7861 2014SOL OH221144 2.923 3.946 6.769 -0.0938 -0.5105 0.4008 2014SOL H121145 2.886 3.894 6.698 3.3632 -0.3698 -1.7238 2014SOL H221146 2.971 3.882 6.822 1.1160 -0.0147 -0.0786 2015SOL OH221147 1.160 3.865 0.169 -1.0005 0.0319 -0.5193 2015SOL H121148 1.069 3.867 0.197 -0.6682 0.6679 0.5532 2015SOL H221149 1.189 3.956 0.170 -0.7942 0.0410 -2.4424 2016SOL OH221150 4.646 2.579 2.219 -0.0216 0.1592 0.1786 2016SOL H121151 4.657 2.528 2.299 3.5336 1.5987 0.7756 2016SOL H221152 4.605 2.660 2.248 -2.4879 -0.8450 -0.2323 2017SOL OH221153 1.355 3.154 6.942 0.0006 0.4078 0.4015 2017SOL H121154 1.299 3.194 6.875 0.3111 -1.4997 -1.0718 2017SOL H221155 1.296 3.102 6.995 -0.2948 2.1751 1.8731 2018SOL OH221156 2.722 2.886 7.246 0.2002 0.3293 -0.3164 2018SOL H121157 2.699 2.850 7.160 1.0323 -1.2250 0.0892 2018SOL H221158 2.818 2.884 7.248 0.1816 0.0380 0.7864 2019SOL OH221159 3.706 4.508 1.936 0.1382 0.7924 0.2100 2019SOL H121160 3.693 4.562 1.857 -1.3268 -2.2727 -1.8403 2019SOL H221161 3.618 4.476 1.957 0.7925 0.0759 2.0239 2020SOL OH221162 0.515 2.533 7.514 -0.1375 0.7011 0.0871 2020SOL H121163 0.481 2.490 7.592 -0.9955 2.0655 0.4935 2020SOL H221164 0.452 2.512 7.445 1.0302 -1.1664 -0.4876 2021SOL OH221165 1.374 4.549 1.529 0.1854 0.0852 0.4606 2021SOL H121166 1.352 4.488 1.599 -2.0949 0.3812 0.0781 2021SOL H221167 1.460 4.584 1.554 -1.2262 1.4518 4.0316 2022SOL OH221168 2.460 4.093 6.540 -0.5008 0.2355 0.1044 2022SOL H121169 2.404 4.025 6.503 1.1179 -0.5218 -1.0969 2022SOL H221170 2.476 4.153 6.468 1.3062 -0.3101 0.0031 2023SOL OH221171 2.285 5.032 8.106 -0.1540 -0.5853 0.1442 2023SOL H121172 2.201 5.008 8.145 -0.6787 -0.0661 -0.6287 2023SOL H221173 2.263 5.100 8.042 0.9986 0.2907 0.6483 2024SOL OH221174 5.790 2.513 8.022 -0.0172 -0.4618 -0.3860 2024SOL H121175 5.883 2.497 8.037 -0.3527 -0.4062 2.2604 2024SOL H221176 5.746 2.472 8.096 -1.9840 0.7474 -0.7951 2025SOL OH221177 3.959 1.236 6.609 -0.0667 0.0272 0.2227 2025SOL H121178 3.950 1.183 6.688 1.5915 -2.0312 -0.8441 2025SOL H221179 3.887 1.298 6.613 -2.4878 -2.6313 1.3779 2026SOL OH221180 2.694 0.072 1.970 0.0895 -0.0143 -0.1444 2026SOL H121181 2.703 -0.009 1.919 -0.0964 0.8485 -1.6092 2026SOL H221182 2.773 0.122 1.948 -1.2666 1.5412 -1.8269 2027SOL OH221183 5.284 1.604 7.571 -0.2087 0.4774 -0.2992 2027SOL H121184 5.261 1.524 7.524 -0.5542 0.7588 -0.6214 2027SOL H221185 5.244 1.595 7.657 0.8410 -0.2618 0.1316 2028SOL OH221186 0.865 3.765 6.740 0.0798 0.7401 0.3466 2028SOL H121187 0.770 3.773 6.732 0.0610 -0.4866 -0.9415 2028SOL H221188 0.887 3.818 6.817 -1.6907 0.7019 0.9164 2029SOL OH221189 0.018 0.534 2.593 1.4437 0.4454 0.1513 2029SOL H121190 0.080 0.475 2.548 1.4656 1.1182 -0.7152 2029SOL H221191 0.040 0.621 2.560 0.5101 0.7780 0.3925 2030SOL OH221192 4.003 2.537 1.043 -0.1847 1.4373 0.3821 2030SOL H121193 3.942 2.493 1.103 -2.9930 1.1159 -2.4533 2030SOL H221194 3.980 2.629 1.050 0.6199 1.6132 0.9081 2031SOL OH221195 4.073 4.203 0.970 1.0816 -0.0660 0.1942 2031SOL H121196 3.995 4.148 0.973 2.1119 -1.5803 -0.0754 2031SOL H221197 4.127 4.173 1.042 2.0644 -0.0400 -0.5197 2032SOL OH221198 1.631 5.577 2.337 0.3712 -0.2193 -0.4819 2032SOL H121199 1.607 5.484 2.332 -2.1243 0.3136 0.2588 2032SOL H221200 1.709 5.578 2.392 -0.2766 -1.8073 0.5596 2033SOL OH221201 4.718 1.804 7.708 -0.1202 -0.1254 -0.6166 2033SOL H121202 4.802 1.818 7.751 0.1306 -1.3147 -0.6916 2033SOL H221203 4.665 1.880 7.732 0.1763 -0.5150 1.3927 2034SOL OH221204 3.362 2.104 7.924 -0.2796 -0.4878 -0.4722 2034SOL H121205 3.366 2.199 7.928 3.7529 -0.4609 -0.8463 2034SOL H221206 3.359 2.083 7.830 0.7743 -0.6796 -0.4756 2035SOL OH221207 0.245 5.680 7.468 -0.0351 -0.5663 0.1506 2035SOL H121208 0.169 5.623 7.456 -1.5003 1.2052 0.5641 2035SOL H221209 0.281 5.691 7.381 -2.4079 1.3550 -0.6931 2036SOL OH221210 4.072 2.328 7.925 0.7328 -0.5256 -0.3562 2036SOL H121211 4.058 2.292 7.837 -1.7916 2.6267 -1.4625 2036SOL H221212 4.030 2.265 7.983 -0.2673 -1.2099 -1.7559 2037SOL OH221213 4.548 5.458 7.839 -0.1799 0.2257 0.3003 2037SOL H121214 4.460 5.428 7.816 0.6910 -0.6813 -2.1534 2037SOL H221215 4.598 5.377 7.852 0.3517 0.7311 1.5966 2038SOL OH221216 1.615 5.261 7.266 0.0533 -0.4004 0.1038 2038SOL H121217 1.695 5.275 7.215 0.9679 0.6800 1.7368 2038SOL H221218 1.544 5.271 7.203 1.1017 1.6571 -0.8525 2039SOL OH221219 1.274 4.866 1.906 -0.4085 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7.830 -1.1319 -0.3626 -0.1662 2332SOL OH222098 1.692 5.101 7.519 -0.0694 -0.0496 0.0715 2332SOL H122099 1.666 5.174 7.463 -4.1026 -0.3463 1.2368 2332SOL H222100 1.747 5.141 7.587 1.0814 1.0910 -1.4432 2333SOL OH222101 2.717 5.748 6.502 0.0830 -0.2109 -0.4457 2333SOL H122102 2.665 5.668 6.514 0.3000 -0.1835 0.8860 2333SOL H222103 2.662 5.805 6.449 -1.1872 -0.2647 0.7626 2334SOL OH222104 3.495 3.319 7.390 0.1001 -0.1451 -0.0742 2334SOL H122105 3.557 3.265 7.341 1.8344 1.1910 0.5189 2334SOL H222106 3.452 3.373 7.324 2.1563 1.3842 -0.2597 2335SOL OH222107 0.907 0.604 0.163 0.2171 -0.2801 0.1810 2335SOL H122108 0.957 0.661 0.220 -0.9463 0.7678 0.1866 2335SOL H222109 0.871 0.537 0.221 -1.4398 1.1083 0.8117 2336SOL OH222110 4.316 1.383 0.240 1.1182 -0.2969 0.2832 2336SOL H122111 4.318 1.351 0.150 0.6762 -0.6451 0.3954 2336SOL H222112 4.227 1.367 0.270 1.2034 0.0124 0.7147 2337SOL OH222113 1.375 1.923 0.296 -0.4974 0.5344 0.0272 2337SOL H122114 1.402 1.908 0.205 -0.0813 2.4442 -0.2233 2337SOL H222115 1.373 2.019 0.304 -0.0469 0.4069 2.1779 2338SOL OH222116 4.487 4.550 6.187 0.2194 -0.8556 0.0227 2338SOL H122117 4.567 4.601 6.188 0.9632 -1.9829 0.8652 2338SOL H222118 4.419 4.611 6.158 1.1329 0.4748 0.6134 2339SOL OH222119 3.560 -0.023 7.371 -0.1257 -0.3451 -0.3653 2339SOL H122120 3.492 -0.019 7.438 1.3862 -2.7179 1.4790 2339SOL H222121 3.560 0.064 7.331 -4.1587 -0.2255 -0.4773 2340SOL OH222122 1.702 0.928 6.999 0.5177 0.0885 0.5297 2340SOL H122123 1.729 0.921 6.907 -2.2414 -3.3461 -0.2171 2340SOL H222124 1.782 0.911 7.048 1.3530 -1.8686 -1.3569 2341SOL OH222125 0.202 1.145 1.391 -0.1486 0.4464 0.6052 2341SOL H122126 0.221 1.056 1.360 0.3780 0.9401 -0.5462 2341SOL H222127 0.255 1.201 1.334 0.1907 1.4481 1.8755 2342SOL OH222128 3.184 0.898 6.643 -0.4977 0.2066 0.6540 2342SOL H122129 3.174 0.804 6.661 -3.0846 -0.0959 -1.5698 2342SOL H222130 3.116 0.916 6.578 1.4684 3.1489 -0.7696 2343SOL OH222131 0.532 3.801 7.570 -0.4001 0.0412 -0.1260 2343SOL H122132 0.618 3.840 7.557 -0.8784 1.2552 0.1605 2343SOL H222133 0.534 3.721 7.518 1.0868 -0.2577 0.3474 2344SOL OH222134 4.253 -0.004 8.260 0.0620 -0.0582 0.0860 2344SOL H122135 4.336 -0.017 8.214 -0.4734 1.9886 -1.6383 2344SOL H222136 4.267 0.075 8.312 -1.1252 1.0781 -1.2251 2345SOL OH222137 4.999 2.157 5.970 0.2424 -0.3250 0.0731 2345SOL H122138 5.033 2.082 6.018 1.7279 -0.0447 -0.4792 2345SOL H222139 4.923 2.186 6.021 0.0117 -1.8097 0.6142 2346SOL OH222140 3.125 4.884 1.033 -0.0183 0.2059 -0.0405 2346SOL H122141 3.106 4.963 0.983 -1.3162 -0.0703 -0.0294 2346SOL H222142 3.128 4.913 1.124 -1.1851 0.1613 0.0326 2347SOL OH222143 4.290 2.975 7.219 -0.3289 -0.0697 -0.5247 2347SOL H122144 4.231 2.951 7.147 -0.7780 0.6431 -0.3949 2347SOL H222145 4.377 2.975 7.178 -0.2768 -2.0121 -0.5089 2348SOL OH222146 2.212 5.721 0.023 0.3380 -0.1299 0.9022 2348SOL H122147 2.176 5.755 0.105 0.3789 -0.1196 0.9158 2348SOL H222148 2.306 5.715 0.039 0.2335 -1.1570 1.2367 2349SOL OH222149 1.617 0.060 0.690 -0.6643 -0.6975 0.0960 2349SOL H122150 1.556 0.122 0.650 1.1366 0.0072 -1.7885 2349SOL H222151 1.563 0.004 0.745 -2.6613 1.2319 0.2419 2350SOL OH222152 2.917 3.236 7.128 -0.1483 0.0368 -0.2672 2350SOL H122153 2.988 3.223 7.066 -2.0080 0.7040 -2.7072 2350SOL H222154 2.960 3.260 7.209 2.3884 2.1795 -2.0775 2351SOL OH222155 0.149 5.128 7.445 -0.4508 -0.1662 -0.7121 2351SOL H122156 0.128 5.159 7.357 2.7386 -0.0234 -1.5611 2351SOL H222157 0.189 5.204 7.488 0.5256 -0.9813 -0.1371 2352SOL OH222158 2.150 3.240 1.114 -0.3875 -0.1797 -1.2323 2352SOL H122159 2.137 3.325 1.073 -0.2221 1.2454 1.4282 2352SOL H222160 2.230 3.251 1.166 -1.7542 -1.0383 1.2135 2353SOL OH222161 3.056 5.233 0.369 -0.0314 0.2516 0.4862 2353SOL H122162 3.008 5.164 0.324 1.9844 -1.8437 1.3580 2353SOL H222163 3.082 5.294 0.300 -2.4087 0.5803 -0.2093 2354SOL OH222164 3.306 0.490 1.512 0.5974 -0.5962 0.1837 2354SOL H122165 3.341 0.558 1.569 0.5332 0.3682 -0.8853 2354SOL H222166 3.286 0.535 1.430 -2.3757 -1.2727 0.4320 2355SOL OH222167 2.525 5.048 0.407 0.4526 0.6956 -0.2578 2355SOL H122168 2.512 5.040 0.313 0.8438 0.1152 -0.2700 2355SOL H222169 2.548 4.959 0.435 -1.6653 0.4057 0.7131 2356SOL OH222170 0.503 4.676 7.659 0.6857 0.1820 0.0917 2356SOL H122171 0.504 4.743 7.728 -0.4232 0.2473 0.0631 2356SOL H222172 0.444 4.711 7.593 -0.4265 -1.1092 0.3647 2357SOL OH222173 5.063 4.595 7.354 0.3124 0.0431 0.3238 2357SOL H122174 5.127 4.665 7.348 0.1149 0.4076 1.9631 2357SOL H222175 5.024 4.589 7.266 0.5966 1.7056 0.0640 2358SOL OH222176 3.245 3.068 8.016 -0.4850 -0.2439 0.4622 2358SOL H122177 3.308 3.068 8.089 -0.4397 -0.5296 0.4244 2358SOL H222178 3.296 3.036 7.941 -0.0455 1.7104 -0.1246 2359SOL OH222179 5.871 5.007 8.255 0.0175 0.1867 0.4000 2359SOL H122180 5.862 5.006 8.350 -0.7227 1.5926 0.3651 2359SOL H222181 5.849 5.096 8.229 -1.5137 -0.6097 -1.2589 2360SOL OH222182 5.070 5.233 0.593 -0.2502 0.0159 0.5891 2360SOL H122183 5.158 5.226 0.628 0.7877 2.9585 -1.0093 2360SOL H222184 5.013 5.238 0.670 1.0215 -1.2977 1.6520 2361SOL OH222185 2.646 1.213 7.085 0.4987 -0.2277 -0.4207 2361SOL H122186 2.583 1.172 7.026 -1.0973 0.1455 0.9343 2361SOL H222187 2.675 1.143 7.143 -0.7071 0.1122 0.6250 2362SOL OH222188 3.360 0.404 2.205 -0.4785 -0.3416 -0.3088 2362SOL H122189 3.326 0.438 2.123 0.3810 0.5320 -0.3378 2362SOL H222190 3.388 0.315 2.186 1.1618 0.3661 -1.4092 2363SOL OH222191 4.600 3.111 7.653 0.7001 -0.4117 0.5268 2363SOL H122192 4.513 3.151 7.649 1.0187 0.1793 -2.4434 2363SOL H222193 4.660 3.186 7.657 1.1482 -0.7659 0.5073 2364SOL OH222194 4.387 5.482 0.587 0.3314 0.6498 0.1841 2364SOL H122195 4.339 5.534 0.522 1.0561 -1.1428 -1.9189 2364SOL H222196 4.343 5.397 0.587 1.2386 0.1615 1.0191 2365SOL OH222197 3.682 1.896 0.689 0.6835 -0.4441 -0.6166 2365SOL H122198 3.630 1.967 0.724 -0.5706 -0.4263 -2.4269 2365SOL H222199 3.693 1.836 0.763 3.3605 2.3498 1.5318 2366SOL OH222200 2.712 2.782 1.039 0.3627 0.3608 0.6069 2366SOL H122201 2.748 2.851 0.983 -0.2272 -0.1726 -0.4749 2366SOL H222202 2.770 2.707 1.025 0.5149 0.3751 1.1308 2367SOL OH222203 1.368 2.123 0.736 -0.3198 0.0273 0.0520 2367SOL H122204 1.305 2.173 0.685 -0.6403 0.6281 1.0155 2367SOL H222205 1.354 2.151 0.826 -0.9124 -2.2416 0.7233 2368SOL OH222206 0.758 4.352 0.254 0.2249 -0.2503 0.1303 2368SOL H122207 0.702 4.375 0.180 -0.9143 -1.5804 0.5404 2368SOL H222208 0.845 4.341 0.216 0.3017 2.0434 -0.4933 2369SOL OH222209 1.596 2.561 7.719 -0.7029 -0.7365 0.0995 2369SOL H122210 1.529 2.574 7.787 -0.6990 2.3015 -0.3472 2369SOL H222211 1.553 2.589 7.638 0.1419 -1.7825 -0.7353 2370SOL OH222212 3.863 0.699 7.338 0.6800 0.2748 -0.0079 2370SOL H122213 3.945 0.722 7.381 1.2757 -1.3663 -0.1755 2370SOL H222214 3.823 0.782 7.314 1.0045 1.2184 2.4453 2371SOL OH222215 1.086 0.684 0.400 -0.0122 0.0379 0.1637 2371SOL H122216 1.077 0.607 0.344 -0.4993 0.1048 0.1435 2371SOL H222217 1.149 0.658 0.467 -0.0810 -0.3355 0.0836 2372SOL OH222218 0.667 1.022 8.151 0.0076 0.2559 0.1534 2372SOL H122219 0.754 1.002 8.185 -0.6031 -0.7022 1.2134 2372SOL H222220 0.676 1.011 8.056 1.2318 1.0001 0.1508 2373SOL OH222221 0.329 5.248 7.133 -0.4379 -0.0884 -0.4213 2373SOL H122222 0.350 5.285 7.219 0.3760 -1.3464 -0.0537 2373SOL H222223 0.381 5.300 7.072 0.7893 -0.6529 0.0996 2374SOL OH222224 4.578 3.698 7.404 0.5239 0.2750 -0.6229 2374SOL H122225 4.657 3.720 7.454 0.5442 -1.2921 0.1038 2374SOL H222226 4.520 3.657 7.468 0.7080 -2.1578 -1.8851 2375SOL OH222227 0.859 0.253 1.594 0.3129 -0.2703 0.1582 2375SOL H122228 0.816 0.308 1.659 2.3327 0.3083 1.0708 2375SOL H222229 0.825 0.165 1.610 0.4205 -0.0504 1.6810 2376SOL OH222230 0.999 2.466 8.354 -0.1482 -1.0983 0.1883 2376SOL H122231 0.995 2.463 8.258 3.4680 0.3513 -0.1822 2376SOL H222232 0.949 2.544 8.377 -0.7467 -1.2492 -0.5426 2377SOL OH222233 5.927 0.863 1.447 -0.0015 0.6228 -0.9657 2377SOL H122234 5.963 0.814 1.521 -0.4261 0.3550 -0.9377 2377SOL H222235 6.003 0.882 1.392 0.6192 2.2866 0.3667 2378SOL OH222236 4.822 3.463 0.135 0.5521 -0.4762 -0.0646 2378SOL H122237 4.883 3.420 0.075 0.9838 -0.3843 0.3039 2378SOL H222238 4.854 3.553 0.140 -0.0735 -0.2240 -0.4730 2379SOL OH222239 0.024 3.039 0.310 -0.0861 0.4211 0.5886 2379SOL H122240 0.073 2.983 0.250 1.5552 0.9452 1.3810 2379SOL H222241 0.006 3.118 0.259 0.2603 0.3883 0.4105 2380SOL OH222242 3.542 1.217 2.286 0.6012 -0.0856 -0.0036 2380SOL H122243 3.544 1.276 2.211 -1.6085 -0.9045 -0.7569 2380SOL H222244 3.597 1.143 2.260 1.1899 0.3860 -0.1263 2381SOL OH222245 4.558 3.643 0.846 0.2424 0.1216 -0.3060 2381SOL H122246 4.507 3.718 0.877 1.2083 0.7532 -0.1732 2381SOL H222247 4.626 3.631 0.913 -0.0656 -1.0681 -0.1821 2382SOL OH222248 4.647 2.026 0.315 0.1119 -0.4481 0.2026 2382SOL H122249 4.594 1.962 0.266 -0.2115 0.5022 -0.7266 2382SOL H222250 4.706 1.973 0.367 0.9546 -1.5374 -1.7440 2383SOL OH222251 3.130 0.840 7.585 -0.3590 0.9097 0.3719 2383SOL H122252 3.173 0.818 7.502 -3.4946 1.7596 -1.6534 2383SOL H222253 3.111 0.755 7.625 -0.4262 0.3863 -0.7170 2384SOL OH222254 4.540 0.837 0.575 0.2882 -0.0548 0.4281 2384SOL H122255 4.513 0.924 0.605 1.9239 1.2068 -1.4872 2384SOL H222256 4.582 0.797 0.651 2.6796 2.2860 0.4713 2385SOL OH222257 1.227 2.411 1.266 0.0986 -0.3090 0.0673 2385SOL H122258 1.296 2.373 1.320 1.0538 -1.4357 -1.8465 2385SOL H222259 1.184 2.335 1.226 -1.6097 0.4226 0.4110 2386SOL OH222260 3.154 2.027 6.503 -0.6425 -0.0940 -0.0466 2386SOL H122261 3.190 1.956 6.449 -1.6816 -0.2150 -0.6147 2386SOL H222262 3.148 2.102 6.444 -2.1201 -0.3251 -0.2307 2387SOL OH222263 4.296 4.149 8.313 -0.2542 -0.1294 -0.0292 2387SOL H122264 4.201 4.160 8.302 -0.5772 -1.2566 1.3254 2387SOL H222265 4.306 4.065 8.357 1.1557 1.2408 2.5155 2388SOL OH222266 5.934 6.027 7.645 0.1859 0.0555 0.5718 2388SOL H122267 5.898 6.012 7.558 0.6824 -1.8297 0.6612 2388SOL H222268 5.930 6.122 7.656 -1.5543 0.1812 -0.7710 2389SOL OH222269 1.150 1.575 7.239 -0.5335 0.5103 -0.5597 2389SOL H122270 1.234 1.575 7.193 -0.5013 -0.1006 -0.4998 2389SOL H222271 1.149 1.658 7.287 1.7052 -1.0796 2.5391 2390SOL OH222272 0.695 1.283 7.804 0.6332 -0.2969 0.2436 2390SOL H122273 0.600 1.276 7.802 0.5716 -1.7593 2.7461 2390SOL H222274 0.725 1.193 7.822 2.8749 -0.8991 -4.7141 2391SOL OH222275 1.735 1.938 7.652 0.0591 0.2780 -0.6905 2391SOL H122276 1.769 1.865 7.703 -1.1430 1.4709 2.0026 2391SOL H222277 1.801 2.007 7.662 -0.8012 0.9739 0.5131 2392SOL OH222278 5.592 3.768 8.019 0.8569 -0.0840 -0.5005 2392SOL H122279 5.509 3.736 8.054 0.0828 0.6601 -1.5705 2392SOL H222280 5.642 3.688 7.998 0.9327 -0.5341 1.2600 2393SOL OH222281 2.433 0.398 1.148 -0.1426 0.0589 -0.1144 2393SOL H122282 2.446 0.431 1.059 -0.6901 0.4172 -0.0655 2393SOL H222283 2.354 0.344 1.142 1.2107 -2.0063 -0.3906 2394SOL OH222284 2.974 1.187 1.177 -0.9018 -0.2002 -0.9493 2394SOL H122285 3.053 1.178 1.123 -0.7337 -0.5863 -0.6422 2394SOL H222286 3.006 1.210 1.264 -1.1368 -0.1868 -0.8641 2395SOL OH222287 2.082 1.619 2.458 -0.6959 -0.1798 0.4414 2395SOL H122288 2.175 1.633 2.441 -1.1679 0.4814 -1.9588 2395SOL H222289 2.066 1.529 2.430 -1.0013 0.1285 -0.4222 2396SOL OH222290 1.431 3.831 1.512 0.3436 -0.2408 0.3245 2396SOL H122291 1.389 3.850 1.596 1.3539 1.2421 0.5370 2396SOL H222292 1.361 3.840 1.447 -0.1326 0.0588 0.8725 2397SOL OH222293 1.828 5.013 8.007 0.7681 0.4502 0.0873 2397SOL H122294 1.797 4.954 7.938 2.3309 -0.2176 -0.0922 2397SOL H222295 1.769 5.088 8.003 -2.7599 -1.9386 1.7652 2398SOL OH222296 1.852 2.895 7.926 -0.0981 -0.0735 0.8898 2398SOL H122297 1.822 2.863 8.011 -1.2354 -2.4080 -0.2976 2398SOL H222298 1.945 2.873 7.923 -0.1969 -0.5673 1.2784 2399SOL OH222299 4.383 2.302 1.863 -0.1957 0.9413 0.2401 2399SOL H122300 4.408 2.320 1.954 -0.4810 0.2297 0.4711 2399SOL H222301 4.426 2.218 1.844 -3.6585 -1.2689 1.2261 2400SOL OH222302 0.184 1.201 0.666 0.2384 0.5390 0.4885 2400SOL H122303 0.128 1.202 0.588 0.4658 0.5933 0.3238 2400SOL H222304 0.134 1.250 0.731 -0.8251 -1.1236 1.0026 2401SOL OH222305 5.255 0.153 1.162 -0.0538 0.4296 0.0848 2401SOL H122306 5.249 0.242 1.197 1.1047 2.0303 -3.3202 2401SOL H222307 5.327 0.113 1.211 1.1722 2.3458 -0.0174 2402SOL OH222308 0.423 3.319 0.399 -0.2441 0.2262 0.0770 2402SOL H122309 0.353 3.329 0.464 1.1414 -2.2015 2.1224 2402SOL H222310 0.415 3.228 0.370 0.5116 0.6723 -1.5894 2403SOL OH222311 0.721 2.081 6.413 -0.1225 0.1363 0.1581 2403SOL H122312 0.793 2.019 6.398 0.8353 0.3007 3.4573 2403SOL H222313 0.642 2.027 6.406 0.1667 -0.1218 -3.1359 2404SOL OH222314 0.849 2.389 6.919 -0.5753 -0.1076 0.0722 2404SOL H122315 0.845 2.480 6.949 -1.0143 -0.1800 0.2348 2404SOL H222316 0.784 2.343 6.973 -0.1482 -0.5740 0.1970 2405SOL OH222317 3.394 3.921 7.345 -0.1052 0.0288 -0.5166 2405SOL H122318 3.308 3.949 7.314 -1.0942 -2.6131 -0.4374 2405SOL H222319 3.404 3.961 7.431 -1.2697 0.3460 -0.5190 2406SOL OH222320 4.903 5.834 7.382 0.4684 0.7348 0.3724 2406SOL H122321 4.808 5.824 7.392 0.7474 -0.7446 1.8855 2406SOL H222322 4.920 5.809 7.291 -0.5651 0.9099 0.1188 2407SOL OH222323 1.741 5.887 0.984 -0.7497 0.2701 -0.3184 2407SOL H122324 1.706 5.976 0.992 0.2364 0.6195 0.3249 2407SOL H222325 1.675 5.832 1.026 -0.7776 0.8590 0.4526 2408SOL OH222326 4.835 3.848 6.349 -0.6231 -0.0920 -0.1189 2408SOL H122327 4.832 3.923 6.408 -0.9932 0.5159 -0.8942 2408SOL H222328 4.926 3.844 6.320 -0.2785 -0.8150 1.0050 2409SOL OH222329 2.854 4.647 7.982 0.0030 -0.1773 0.5606 2409SOL H122330 2.862 4.736 7.948 -3.3658 -0.3789 -1.1886 2409SOL H222331 2.886 4.591 7.912 -1.0440 -0.4241 0.2712 2410SOL OH222332 5.721 3.440 0.828 0.4164 -0.4888 0.1256 2410SOL H122333 5.699 3.451 0.735 3.5005 2.6583 -0.4513 2410SOL H222334 5.797 3.382 0.827 -0.7607 -2.1220 0.9767 2411SOL OH222335 5.832 5.013 0.684 0.2522 0.7747 0.3885 2411SOL H122336 5.848 4.968 0.601 0.4098 0.4001 0.6184 2411SOL H222337 5.885 4.965 0.748 -0.6580 0.4296 0.9008 2412SOL OH222338 0.634 1.054 6.393 -0.4110 0.6691 -0.2109 2412SOL H122339 0.605 0.978 6.343 1.1903 -1.3367 1.7418 2412SOL H222340 0.723 1.071 6.361 0.2584 -0.0280 1.2116 2413SOL OH222341 3.722 1.411 6.580 0.0087 0.0029 0.0526 2413SOL H122342 3.629 1.419 6.558 0.4548 0.1879 -1.9562 2413SOL H222343 3.724 1.350 6.653 -1.7002 0.1198 0.2395 2414SOL OH222344 1.783 1.861 8.471 0.0552 0.2574 -0.3562 2414SOL H122345 1.696 1.845 8.508 0.7316 -0.2392 1.0869 2414SOL H222346 1.772 1.844 8.377 -1.0008 -1.5490 0.0502 2415SOL OH222347 4.205 0.719 0.914 -0.6600 0.1447 -0.2701 2415SOL H122348 4.289 0.763 0.928 -1.4131 1.6629 -0.3206 2415SOL H222349 4.228 0.628 0.897 0.9560 0.4779 -0.0227 2416SOL OH222350 3.362 0.481 7.106 -0.1420 0.7655 -0.3467 2416SOL H122351 3.336 0.558 7.158 -0.4321 0.6896 -0.3793 2416SOL H222352 3.378 0.516 7.019 -3.0786 0.3841 -1.1441 2417SOL OH222353 0.592 5.612 0.612 0.3180 -0.0462 -0.6518 2417SOL H122354 0.552 5.650 0.534 0.1816 2.1722 0.4299 2417SOL H222355 0.521 5.562 0.653 -0.5374 1.3260 -0.3783 2418SOL OH222356 5.350 1.326 0.801 -0.7274 -0.0699 0.0523 2418SOL H122357 5.341 1.411 0.757 1.1953 0.8854 1.3760 2418SOL H222358 5.361 1.264 0.729 0.7785 1.2296 -0.9176 2419SOL OH222359 2.196 3.612 8.346 -0.0016 0.2699 -0.7456 2419SOL H122360 2.202 3.554 8.421 4.6749 0.8320 -0.3917 2419SOL H222361 2.154 3.560 8.278 -1.8786 -1.1776 1.3934 2420SOL OH222362 5.400 2.951 1.424 1.0658 0.5921 0.3047 2420SOL H122363 5.445 3.029 1.455 -1.8897 2.6624 -0.2320 2420SOL H222364 5.400 2.960 1.329 1.5897 -0.6394 0.1705 2421SOL OH222365 2.511 5.256 2.046 -0.0433 -0.1293 0.2533 2421SOL H122366 2.565 5.240 2.123 -0.0347 -0.0738 0.2591 2421SOL H222367 2.539 5.342 2.014 0.4993 -0.4969 -0.2710 2422SOL OH222368 3.224 0.202 1.035 -0.1441 0.0960 -0.4415 2422SOL H122369 3.260 0.148 0.964 1.6873 -1.7269 1.6916 2422SOL H222370 3.131 0.182 1.036 -0.3162 0.5545 -2.5875 2423SOL OH222371 4.558 0.560 6.802 0.7064 -0.0109 -0.2000 2423SOL H122372 4.500 0.636 6.806 -1.2353 -1.3905 -0.7611 2423SOL H222373 4.613 0.576 6.726 -1.5113 -0.3384 -1.9710 2424SOL OH222374 1.290 5.468 8.381 -0.4335 0.0144 0.5304 2424SOL H122375 1.202 5.430 8.386 -1.3668 2.1141 1.4108 2424SOL H222376 1.302 5.488 8.289 -1.2826 0.5191 0.5138 2425SOL OH222377 4.085 1.963 7.148 -0.6127 0.2219 -0.2209 2425SOL H122378 4.019 1.893 7.143 1.1416 -1.7598 1.8966 2425SOL H222379 4.036 2.040 7.175 -2.3971 -0.5945 -0.9672 2426SOL OH222380 5.115 4.309 7.210 -0.1529 -0.3353 -0.0332 2426SOL H122381 5.208 4.321 7.190 -0.0664 1.4646 1.2421 2426SOL H222382 5.070 4.378 7.162 -0.6169 0.0078 0.8706 2427SOL OH222383 2.603 -0.019 5.652 0.3865 -0.0351 0.2323 2427SOL H122384 2.602 0.064 5.604 0.1380 -0.7030 -0.9589 2427SOL H222385 2.686 -0.018 5.700 0.7436 0.5671 -0.3803 2428SOL OH222386 2.021 5.499 7.299 -0.0632 0.2186 -0.4125 2428SOL H122387 2.064 5.506 7.385 -0.4280 1.4259 -0.3189 2428SOL H222388 1.932 5.471 7.320 -0.2416 0.8106 -0.3690 2429SOL OH222389 4.139 0.782 5.416 -0.1781 0.2232 -0.0550 2429SOL H122390 4.065 0.724 5.434 0.4516 -0.5686 0.0248 2429SOL H222391 4.216 0.728 5.430 0.4148 0.9193 -0.5582 2430SOL OH222392 1.111 0.189 6.867 -0.4067 0.2072 -0.1515 2430SOL H122393 1.040 0.127 6.886 1.4501 -1.6936 1.0859 2430SOL H222394 1.177 0.136 6.822 1.4831 1.1093 1.3922 2431SOL OH222395 5.500 3.443 7.785 -0.1110 -0.7402 0.1774 2431SOL H122396 5.509 3.351 7.762 -2.1235 -0.8595 -0.3384 2431SOL H222397 5.437 3.444 7.857 0.5288 0.1831 0.7556 2432SOL OH222398 5.409 1.271 7.296 0.0308 -0.0441 -0.0068 2432SOL H122399 5.333 1.272 7.354 0.3342 0.2722 0.3994 2432SOL H222400 5.403 1.189 7.248 -0.5545 -0.0274 0.0403 2433SOL OH222401 5.541 4.542 7.622 0.3724 0.2195 -0.1361 2433SOL H122402 5.492 4.474 7.668 -1.0891 0.5238 -1.1972 2433SOL H222403 5.562 4.606 7.691 0.5100 -0.5940 0.5954 2434SOL OH222404 5.231 2.357 1.943 0.4514 0.0686 0.1283 2434SOL H122405 5.159 2.348 1.880 0.4585 0.5381 0.0488 2434SOL H222406 5.244 2.452 1.951 -0.0161 0.0446 1.3671 2435SOL OH222407 4.947 0.534 7.530 0.6241 -0.2177 0.6006 2435SOL H122408 4.869 0.574 7.491 1.9826 1.1243 -0.8991 2435SOL H222409 4.932 0.440 7.523 -0.4430 0.0142 -0.5359 2436SOL OH222410 1.542 4.951 7.310 -0.2939 -0.2894 -0.2851 2436SOL H122411 1.575 5.033 7.346 -0.7684 0.8644 -2.2960 2436SOL H222412 1.448 4.965 7.302 -0.3956 -1.0825 -0.5288 2437SOL OH222413 5.638 4.334 1.403 -0.1652 0.6802 -0.2133 2437SOL H122414 5.674 4.248 1.383 0.2036 0.9166 -0.5782 2437SOL H222415 5.605 4.326 1.492 2.1125 0.8649 0.7104 2438SOL OH222416 4.549 0.813 0.925 -0.1328 0.3530 -0.6768 2438SOL H122417 4.585 0.893 0.887 0.1992 0.1687 -0.7502 2438SOL H222418 4.573 0.817 1.017 -1.3092 1.0113 -0.3826 2439SOL OH222419 2.916 0.343 6.989 0.0053 1.0577 1.2105 2439SOL H122420 2.883 0.429 6.962 1.5794 1.0571 -1.1065 2439SOL H222421 3.011 0.352 6.986 0.2145 -0.7532 0.9235 2440SOL OH222422 3.925 6.042 1.089 0.2391 -0.7491 -0.1280 2440SOL H122423 3.973 6.087 1.159 0.1067 -1.0193 0.1370 2440SOL H222424 3.932 6.101 1.014 2.0855 -1.3647 -0.4861 2441SOL OH222425 0.367 5.793 5.941 0.8721 -0.2577 0.0115 2441SOL H122426 0.305 5.774 6.011 -2.1608 3.2900 -1.3814 2441SOL H222427 0.382 5.709 5.898 -1.8234 -1.5688 1.3882 2442SOL OH222428 5.117 1.934 3.263 -0.3976 0.2986 -0.8885 2442SOL H122429 5.099 1.842 3.285 0.3380 0.0733 -1.2168 2442SOL H222430 5.127 1.977 3.348 1.1608 -0.3181 -0.7286 2443SOL OH222431 2.472 3.179 0.013 -0.0764 -0.3049 0.1095 2443SOL H122432 2.546 3.142 -0.036 0.2216 -0.0678 0.3750 2443SOL H222433 2.454 3.113 0.080 0.2137 -0.1436 0.3495 2444SOL OH222434 3.714 2.527 0.088 -0.7311 -0.2362 -0.5462 2444SOL H122435 3.719 2.590 0.160 1.8496 -0.2111 -0.6602 2444SOL H222436 3.727 2.442 0.129 -1.3519 -0.4219 -0.7345 2445SOL OH222437 3.021 4.824 7.832 -0.4158 0.2687 0.5789 2445SOL H122438 3.048 4.853 7.745 -2.6846 -0.6435 -0.5094 2445SOL H222439 3.091 4.854 7.890 0.4251 2.2725 -1.3279 2446SOL OH222440 4.927 4.198 1.710 -0.4087 -0.9698 -0.6287 2446SOL H122441 4.969 4.283 1.698 -0.6412 -0.8299 -0.4468 2446SOL H222442 4.933 4.181 1.804 -2.6408 0.0278 -0.2497 2447SOL OH222443 3.336 2.452 0.470 -0.7423 0.0580 -0.4852 2447SOL H122444 3.431 2.458 0.456 -0.3886 0.8144 1.8089 2447SOL H222445 3.303 2.411 0.390 1.9270 -3.2441 -0.1449 2448SOL OH222446 2.836 1.505 0.167 0.0572 -0.4346 0.2099 2448SOL H122447 2.802 1.431 0.116 -1.5501 0.4720 -0.1060 2448SOL H222448 2.854 1.467 0.253 1.0046 -1.5668 -0.4465 2449SOL OH222449 4.856 6.015 0.438 -0.5668 0.3484 0.4936 2449SOL H122450 4.906 6.037 0.516 -0.6621 1.3460 0.2833 2449SOL H222451 4.902 6.058 0.367 -1.0942 0.3410 0.1469 2450SOL OH222452 4.879 0.708 0.674 0.2092 0.6425 -0.0108 2450SOL H122453 4.789 0.687 0.700 -0.6040 3.4424 -0.1741 2450SOL H222454 4.888 0.669 0.587 0.1108 -1.8196 1.0039 2451SOL OH222455 2.463 0.579 8.435 -0.1867 -0.4421 0.0146 2451SOL H122456 2.440 0.556 8.345 -1.1123 1.9459 -0.4292 2451SOL H222457 2.382 0.567 8.484 -0.2190 0.1648 0.1147 2452SOL OH222458 1.032 2.296 1.489 0.0090 -0.3736 0.2058 2452SOL H122459 1.126 2.289 1.505 0.4753 1.6119 -1.3052 2452SOL H222460 1.020 2.259 1.401 -0.5984 -0.3535 0.2725 2453SOL OH222461 2.049 5.235 1.333 0.0925 -0.0836 -0.0609 2453SOL H122462 2.025 5.313 1.383 -0.2330 -0.4074 0.2939 2453SOL H222463 2.144 5.228 1.344 -0.0904 -0.7203 1.3690 2454SOL OH222464 1.688 4.322 7.923 0.0201 -0.2623 0.0125 2454SOL H122465 1.722 4.317 7.834 0.9650 0.8338 0.2935 2454SOL H222466 1.721 4.405 7.957 0.0769 -0.8925 1.5555 2455SOL OH222467 2.973 3.029 8.023 0.6397 -0.4100 -0.3972 2455SOL H122468 2.972 2.933 8.032 0.6392 -0.3490 0.3610 2455SOL H222469 3.061 3.050 7.992 1.2416 -0.5369 1.1344 2456SOL OH222470 2.796 0.240 6.300 -0.5057 0.0299 -0.1159 2456SOL H122471 2.830 0.180 6.234 -2.0601 -1.1628 0.1214 2456SOL H222472 2.800 0.326 6.258 0.5638 -0.3932 -0.9313 2457SOL OH222473 0.112 1.690 0.764 -0.3148 -0.4052 0.1547 2457SOL H122474 0.075 1.671 0.850 -1.4364 1.2769 0.0875 2457SOL H222475 0.123 1.785 0.763 3.3204 -0.6869 -0.1579 2458SOL OH222476 2.699 5.940 0.805 0.1544 0.3891 0.4456 2458SOL H122477 2.760 5.965 0.875 -0.6139 2.1235 0.5473 2458SOL H222478 2.750 5.884 0.748 1.8799 1.7624 0.5418 2459SOL OH222479 5.320 4.101 0.146 -0.3609 0.2368 -0.5358 2459SOL H122480 5.269 4.077 0.068 0.6107 0.7804 -1.3546 2459SOL H222481 5.257 4.094 0.218 -1.5990 0.8798 -1.5202 2460SOL OH222482 2.196 1.861 1.921 0.1445 -0.1089 0.1028 2460SOL H122483 2.275 1.879 1.970 0.5706 -2.2419 0.3098 2460SOL H222484 2.126 1.859 1.986 -0.1097 1.6629 -0.0660 2461SOL OH222485 5.737 1.952 0.129 -0.0355 -0.5230 0.2614 2461SOL H122486 5.779 1.870 0.155 1.5173 0.6285 1.5842 2461SOL H222487 5.756 1.961 0.036 0.4370 -1.2984 0.2804 2462SOL OH222488 0.430 3.241 6.247 -0.3856 0.2053 0.0168 2462SOL H122489 0.381 3.215 6.325 1.6719 0.2358 1.4031 2462SOL H222490 0.509 3.186 6.249 -0.5340 -0.1831 -2.3737 2463SOL OH222491 5.824 4.549 6.447 0.3979 -0.0431 -0.1036 2463SOL H122492 5.760 4.521 6.512 0.8849 -1.1415 -0.0592 2463SOL H222493 5.891 4.480 6.449 1.6176 1.1049 -0.0986 2464SOL OH222494 1.173 4.527 1.352 0.5079 -0.9509 -0.3768 2464SOL H122495 1.141 4.439 1.375 0.5845 -0.7989 0.3037 2464SOL H222496 1.251 4.540 1.406 0.3486 -0.3545 -0.2843 2465SOL OH222497 2.147 0.152 7.994 0.5148 0.2176 -0.1181 2465SOL H122498 2.148 0.074 7.940 0.7626 -0.2876 0.6098 2465SOL H222499 2.089 0.130 8.067 0.2284 0.8729 -0.1348 2466SOL OH222500 5.595 5.441 7.404 -0.3929 -0.4099 0.5337 2466SOL H122501 5.690 5.432 7.414 -0.5781 0.2934 4.4596 2466SOL H222502 5.577 5.406 7.317 3.5740 0.5073 -0.8873 2467SOL OH222503 2.459 2.984 0.200 -0.3792 -0.3089 -0.2109 2467SOL H122504 2.418 3.019 0.279 2.1516 -0.7642 1.4091 2467SOL H222505 2.427 2.894 0.194 -0.7759 -0.1944 0.1403 2468SOL OH222506 3.083 4.827 6.791 -0.0791 0.2724 -0.2048 2468SOL H122507 3.075 4.744 6.839 0.4617 -0.0241 -0.6213 2468SOL H222508 3.059 4.805 6.701 2.0070 0.0925 -0.7669 2469SOL OH222509 0.637 5.651 6.892 -0.0548 -0.3230 -0.7903 2469SOL H122510 0.634 5.639 6.797 -0.7242 -0.1563 -0.7932 2469SOL H222511 0.586 5.578 6.927 -0.1278 -0.1725 -0.5794 2470SOL OH222512 0.907 2.534 5.968 0.5403 0.4812 0.3656 2470SOL H122513 0.942 2.494 6.048 -0.6271 -0.3415 0.4924 2470SOL H222514 0.949 2.620 5.964 -0.6254 1.2547 2.8024 2471SOL OH222515 0.326 5.656 7.924 -0.8175 0.9310 0.8018 2471SOL H122516 0.342 5.740 7.968 0.9712 0.5019 1.0594 2471SOL H222517 0.267 5.609 7.983 1.2790 0.4877 2.6839 2472SOL OH222518 4.474 2.388 0.385 0.8098 -0.3026 -0.1386 2472SOL H122519 4.466 2.474 0.345 0.2808 -0.5522 -0.5884 2472SOL H222520 4.468 2.327 0.312 -0.2357 -0.7695 0.3164 2473SOL OH222521 2.157 5.262 7.277 -0.0189 -1.0532 0.4120 2473SOL H122522 2.124 5.340 7.322 2.9730 -0.0549 1.1287 2473SOL H222523 2.162 5.287 7.185 -2.1076 -1.6021 0.1028 2474SOL OH222524 0.241 2.457 0.135 0.7749 -1.0590 -0.1914 2474SOL H122525 0.232 2.392 0.065 -1.1566 -0.7529 -0.2693 2474SOL H222526 0.259 2.406 0.214 -2.1343 -1.9147 0.0430 2475SOL OH222527 3.632 5.361 1.193 0.0996 0.0409 0.1104 2475SOL H122528 3.602 5.324 1.110 1.1695 0.0900 -0.3096 2475SOL H222529 3.633 5.456 1.178 -1.1945 0.1730 0.7003 2476SOL OH222530 5.004 2.113 2.614 0.4044 0.0722 -0.1694 2476SOL H122531 5.043 2.197 2.589 1.7187 -0.6779 -0.7377 2476SOL H222532 5.044 2.092 2.699 0.0216 0.0513 0.0080 2477SOL OH222533 2.162 1.663 6.602 -0.0351 -0.5197 -0.4336 2477SOL H122534 2.095 1.657 6.670 -0.4644 -0.3235 -0.8378 2477SOL H222535 2.244 1.642 6.648 -0.4821 -1.7610 -0.1394 2478SOL OH222536 3.771 3.424 1.432 0.2808 0.0895 -0.1752 2478SOL H122537 3.746 3.353 1.373 1.6716 0.3374 -1.1014 2478SOL H222538 3.862 3.404 1.456 0.0833 0.5787 1.0368 2479SOL OH222539 3.571 3.767 6.153 0.8798 -0.2854 0.0038 2479SOL H122540 3.571 3.856 6.189 -0.0699 -0.0339 -0.5785 2479SOL H222541 3.489 3.728 6.186 -0.5075 0.2644 -2.5625 2480SOL OH222542 2.653 5.535 5.891 0.0684 0.5109 -0.3312 2480SOL H122543 2.628 5.595 5.821 0.3375 0.0276 -0.8516 2480SOL H222544 2.660 5.590 5.969 -0.9365 0.9414 -0.5297 2481SOL OH222545 1.525 4.506 0.541 -0.6868 0.4050 0.6781 2481SOL H122546 1.590 4.462 0.596 -0.2957 0.0734 -0.0412 2481SOL H222547 1.574 4.573 0.495 -0.2329 -1.5735 -1.9157 2482SOL OH222548 2.353 4.585 2.036 -0.0555 -0.9525 0.2088 2482SOL H122549 2.289 4.541 2.092 1.4571 -4.9661 -0.8331 2482SOL H222550 2.431 4.594 2.090 0.5457 -2.3226 -0.3871 2483SOL OH222551 0.505 2.608 0.686 0.5716 -0.3243 -0.0259 2483SOL H122552 0.540 2.591 0.773 0.4594 -0.1433 0.0542 2483SOL H222553 0.424 2.557 0.682 -1.0511 1.9856 1.0859 2484SOL OH222554 0.111 2.880 1.043 0.2270 0.3278 -0.1926 2484SOL H122555 0.146 2.910 1.128 -1.4358 1.7912 0.0368 2484SOL H222556 0.102 2.786 1.053 4.1132 -0.2464 -0.3345 2485SOL OH222557 4.194 4.828 1.518 0.1614 0.0949 -0.8542 2485SOL H122558 4.217 4.752 1.571 -3.7018 -1.1239 -0.6515 2485SOL H222559 4.230 4.809 1.431 1.7455 -0.5197 -0.0926 2486SOL OH222560 3.901 4.447 6.852 -0.3602 -1.0102 -0.0149 2486SOL H122561 3.874 4.436 6.944 -0.0505 0.3413 0.2656 2486SOL H222562 3.821 4.474 6.807 -0.7659 -2.7327 -0.3908 2487SOL OH222563 0.782 0.964 1.606 -0.3654 -0.2613 0.1697 2487SOL H122564 0.767 0.995 1.696 -1.1293 -0.3359 0.0763 2487SOL H222565 0.735 0.881 1.601 0.4985 -0.7522 -0.0112 2488SOL OH222566 1.072 0.765 6.990 0.1048 0.0891 0.7274 2488SOL H122567 1.069 0.860 6.979 -2.4077 -0.1018 -1.1880 2488SOL H222568 1.160 0.740 6.962 0.7958 1.8141 1.2385 2489SOL OH222569 1.040 4.043 0.716 0.1178 0.1226 -0.5390 2489SOL H122570 1.050 3.968 0.657 0.4761 1.2149 -1.9205 2489SOL H222571 1.098 4.109 0.680 1.3808 0.4127 1.8282 2490SOL OH222572 3.865 2.452 0.796 0.2720 0.0531 0.0914 2490SOL H122573 3.949 2.416 0.768 0.9820 2.4333 -1.1791 2490SOL H222574 3.884 2.496 0.879 -0.3086 -1.3526 1.0088 2491SOL OH222575 0.116 0.160 7.297 0.2758 0.3806 0.3453 2491SOL H122576 0.056 0.112 7.240 1.3520 1.6712 -1.9986 2491SOL H222577 0.061 0.193 7.368 -1.1315 -1.2072 0.0569 2492SOL OH222578 5.680 4.431 0.171 0.6668 0.4789 0.0752 2492SOL H122579 5.661 4.513 0.217 1.7881 0.3619 0.7945 2492SOL H222580 5.768 4.406 0.201 0.3102 -1.0386 -0.0388 2493SOL OH222581 5.854 3.226 7.621 0.2454 -0.7372 0.1542 2493SOL H122582 5.788 3.206 7.555 -0.6140 -0.6456 0.9758 2493SOL H222583 5.930 3.256 7.570 -0.4218 -0.5930 -0.7800 2494SOL OH222584 3.978 3.270 1.044 -0.1752 0.7132 0.1117 2494SOL H122585 4.065 3.258 1.005 -0.9058 0.9312 -1.6999 2494SOL H222586 3.962 3.364 1.039 0.1147 0.9081 1.9890 2495SOL OH222587 2.097 3.848 1.788 0.1275 -0.2555 0.1702 2495SOL H122588 2.010 3.889 1.792 -0.0450 -0.6389 0.3737 2495SOL H222589 2.094 3.780 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OH222677 0.178 3.570 8.305 -0.6217 0.5453 -0.6922 2525SOL H122678 0.145 3.565 8.215 0.2439 -0.8255 -0.9636 2525SOL H222679 0.128 3.641 8.345 0.9378 3.2407 -3.0889 2526SOL OH222680 5.508 0.182 6.920 0.4025 -0.5137 0.3104 2526SOL H122681 5.444 0.242 6.960 0.4115 -0.2146 -0.1154 2526SOL H222682 5.593 0.217 6.946 0.5142 1.2583 -2.0847 2527SOL OH222683 4.841 4.782 7.895 -0.4059 0.4524 -0.7676 2527SOL H122684 4.827 4.873 7.919 -2.1902 0.5381 -1.9772 2527SOL H222685 4.806 4.732 7.969 0.7929 0.7181 0.0042 2528SOL OH222686 2.848 1.134 6.322 -0.3795 0.5569 0.0500 2528SOL H122687 2.775 1.162 6.267 -0.8024 0.2445 0.4381 2528SOL H222688 2.887 1.060 6.275 -2.3533 -1.4382 1.3358 2529SOL OH222689 3.569 5.488 2.455 0.7046 -0.0580 -1.1396 2529SOL H122690 3.539 5.458 2.369 -0.2351 0.2382 -0.9249 2529SOL H222691 3.618 5.414 2.490 -1.5630 -1.4086 -0.6127 2530SOL OH222692 2.238 0.016 0.208 -0.8194 -0.2622 -1.3617 2530SOL H122693 2.241 0.002 0.114 1.8233 1.3528 -1.6329 2530SOL H222694 2.227 0.111 0.219 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H222712 4.840 1.575 7.908 0.6438 -0.6609 2.1092 2537SOL OH222713 5.740 5.159 1.332 -0.4215 -0.3580 -0.0668 2537SOL H122714 5.670 5.114 1.380 -0.6163 0.6434 0.6268 2537SOL H222715 5.818 5.148 1.387 -0.0985 -1.1996 -0.6820 2538SOL OH222716 3.105 4.749 1.920 -0.2116 0.1679 -0.4605 2538SOL H122717 3.010 4.741 1.929 -0.5144 3.0464 -0.2418 2538SOL H222718 3.128 4.823 1.976 2.2573 -0.7982 -0.1053 2539SOL OH222719 1.800 2.781 6.778 0.1511 -0.2434 0.0327 2539SOL H122720 1.815 2.745 6.690 -0.7500 1.3102 -0.8205 2539SOL H222721 1.720 2.832 6.768 2.4602 3.9127 0.4391 2540SOL OH222722 0.466 2.099 6.699 -0.0200 -0.3261 -0.3193 2540SOL H122723 0.545 2.131 6.743 -0.8854 1.1163 0.2468 2540SOL H222724 0.413 2.060 6.769 -0.3781 -0.1272 -0.4759 2541SOL OH222725 5.679 5.815 7.769 -0.4088 0.4972 0.0586 2541SOL H122726 5.743 5.749 7.743 -2.1347 -0.9772 -0.6630 2541SOL H222727 5.686 5.883 7.702 0.6285 0.5576 0.2045 2542SOL OH222728 1.514 5.649 7.457 -0.1017 -0.3591 0.1368 2542SOL H122729 1.432 5.605 7.435 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5.150 4.942 0.147 -1.6363 0.7205 1.0225 2548SOL H222748 5.018 4.964 0.078 0.1187 0.8814 -2.5190 2549SOL OH222749 0.494 2.887 0.133 0.1378 0.1682 0.2078 2549SOL H122750 0.427 2.926 0.076 -1.3775 -1.3754 0.8349 2549SOL H222751 0.577 2.909 0.091 -0.6712 2.9544 -0.1119 2550SOL OH222752 5.756 1.472 0.878 0.5210 0.2809 -0.3464 2550SOL H122753 5.666 1.501 0.862 0.7679 0.2771 -1.9438 2550SOL H222754 5.771 1.488 0.971 -1.2734 -0.1354 0.0551 2551SOL OH222755 1.408 3.326 2.081 -0.1711 -0.1460 0.2738 2551SOL H122756 1.359 3.406 2.097 -0.8619 -0.8000 1.6583 2551SOL H222757 1.495 3.356 2.053 -0.9335 1.0356 -0.9433 2552SOL OH222758 4.070 2.423 0.377 0.1650 0.3097 -0.7630 2552SOL H122759 4.113 2.500 0.340 -0.5761 0.7066 -0.8274 2552SOL H222760 4.091 2.352 0.317 -0.5414 0.8217 -1.6328 2553SOL OH222761 3.032 4.616 7.080 -0.2008 0.3630 0.5183 2553SOL H122762 3.040 4.589 6.988 -0.4847 -1.1252 0.8971 2553SOL H222763 3.114 4.588 7.121 0.1399 1.4854 0.6230 2554SOL OH222764 0.965 4.795 8.471 0.1391 -0.2019 0.2472 2554SOL H122765 1.005 4.850 8.538 0.7683 0.2550 -0.4834 2554SOL H222766 1.037 4.775 8.411 -0.6890 0.5904 -1.0673 2555SOL OH222767 3.406 1.263 8.189 0.1849 0.0123 -0.0675 2555SOL H122768 3.377 1.194 8.249 1.3048 -0.2020 0.2572 2555SOL H222769 3.492 1.233 8.159 1.4602 2.0573 1.3699 2556SOL OH222770 4.771 3.568 7.225 -0.4417 0.2211 -0.4034 2556SOL H122771 4.774 3.600 7.134 -0.3988 -1.3291 -0.9785 2556SOL H222772 4.731 3.639 7.274 -1.4576 0.6872 -1.8350 2557SOL OH222773 0.539 4.958 6.467 -0.1757 -0.3302 0.0790 2557SOL H122774 0.451 4.973 6.431 0.0802 -1.3223 -1.0470 2557SOL H222775 0.597 5.009 6.410 0.0855 -0.6538 0.0506 2558SOL OH222776 3.636 5.130 7.848 0.1102 -0.0092 0.3511 2558SOL H122777 3.585 5.055 7.816 -1.4216 -0.1359 2.8580 2558SOL H222778 3.669 5.171 7.768 -2.3653 -1.0144 -1.3403 2559SOL OH222779 4.690 4.043 8.282 -0.2654 0.2432 -0.3522 2559SOL H122780 4.677 4.092 8.364 0.4519 -0.8968 0.4791 2559SOL H222781 4.627 4.080 8.221 -1.2076 0.7482 0.8977 2560SOL OH222782 4.205 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7.479 0.4521 0.4425 0.1084 2572SOL OH222818 3.291 3.120 6.687 -0.1782 -0.2862 0.0196 2572SOL H122819 3.200 3.136 6.664 0.3201 -0.4892 -2.4057 2572SOL H222820 3.339 3.136 6.606 1.8979 -0.6420 1.1107 2573SOL OH222821 4.746 2.846 0.038 -0.3928 -0.0170 -0.4655 2573SOL H122822 4.827 2.820 -0.006 -0.8249 -1.2363 -0.6019 2573SOL H222823 4.766 2.929 0.080 0.5901 0.2595 -1.4291 2574SOL OH222824 3.973 2.903 7.361 0.2368 0.0265 0.5835 2574SOL H122825 3.910 2.879 7.294 1.9493 -0.1635 -1.0583 2574SOL H222826 4.017 2.980 7.326 1.4883 -0.3525 1.2408 2575SOL OH222827 4.202 4.942 7.301 0.5905 1.1282 -0.1874 2575SOL H122828 4.278 4.988 7.337 0.4987 2.0934 -1.1748 2575SOL H222829 4.152 5.010 7.256 -0.1044 0.2422 -0.7829 2576SOL OH222830 1.825 3.060 7.233 0.1005 0.5036 -0.5971 2576SOL H122831 1.761 3.011 7.182 -0.7292 0.3056 0.5843 2576SOL H222832 1.850 3.001 7.304 0.2110 1.2323 -0.0066 2577SOL OH222833 3.034 1.919 6.963 -0.0863 -0.0458 0.4258 2577SOL H122834 2.977 1.857 7.009 -1.1750 1.2866 0.9119 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4.490 3.214 1.250 -0.2045 -1.1597 1.3716 2589SOL H222871 4.640 3.201 1.261 -0.0693 0.4498 1.7093 2590SOL OH222872 5.028 1.089 1.208 -0.7764 -0.4055 -0.1073 2590SOL H122873 5.090 1.104 1.279 -2.6417 1.4575 1.2696 2590SOL H222874 5.064 1.015 1.159 2.4474 0.5190 0.6082 2591SOL OH222875 1.836 5.024 0.722 -0.5099 -0.2837 0.4565 2591SOL H122876 1.924 5.052 0.698 -0.3390 0.1196 1.5065 2591SOL H222877 1.814 5.076 0.799 -1.9322 0.0936 -0.1667 2592SOL OH222878 4.830 5.555 0.690 0.2141 -0.6449 0.0936 2592SOL H122879 4.750 5.607 0.684 -0.3489 -1.5322 -0.2995 2592SOL H222880 4.803 5.472 0.729 0.6394 -1.5129 -1.3731 2593SOL OH222881 2.573 4.213 0.677 -0.1147 -0.2335 -0.1853 2593SOL H122882 2.524 4.136 0.648 -1.1885 0.6660 -0.8420 2593SOL H222883 2.628 4.236 0.602 -0.0573 -0.1458 -0.1163 2594SOL OH222884 2.009 2.328 1.274 0.5869 0.1372 0.1341 2594SOL H122885 1.955 2.359 1.202 -0.9012 0.2196 1.2477 2594SOL H222886 1.947 2.293 1.338 2.0482 -3.4263 -0.1713 2595SOL OH222887 0.456 0.342 0.606 -0.7998 0.0530 -0.5939 2595SOL H122888 0.408 0.373 0.529 -0.8582 -0.6441 -0.8486 2595SOL H222889 0.508 0.417 0.633 -0.5708 0.2292 -1.4816 2596SOL OH222890 5.715 3.158 0.221 -0.0738 -0.2831 -0.2871 2596SOL H122891 5.775 3.171 0.148 0.7911 0.9771 0.6005 2596SOL H222892 5.762 3.100 0.281 0.6732 1.3698 0.8005 2597SOL OH222893 4.513 2.286 1.110 -0.3470 0.0243 0.4696 2597SOL H122894 4.549 2.367 1.147 3.7289 -0.8248 -1.1527 2597SOL H222895 4.480 2.312 1.024 -1.0241 0.3026 0.8069 2598SOL OH222896 0.449 4.827 0.751 0.3744 -0.0474 0.1961 2598SOL H122897 0.376 4.876 0.789 -0.1090 -1.1239 0.7085 2598SOL H222898 0.442 4.843 0.657 1.1219 2.0269 0.4260 2599SOL OH222899 2.447 2.216 1.801 -0.4679 -0.1100 0.0942 2599SOL H122900 2.429 2.190 1.892 2.8493 -1.7843 0.4226 2599SOL H222901 2.468 2.309 1.806 -0.4571 -0.1561 1.0295 2600SOL OH222902 4.311 3.868 6.958 -0.2878 0.1992 -0.0902 2600SOL H122903 4.384 3.808 6.975 -2.2654 -2.3943 -0.0017 2600SOL H222904 4.347 3.955 6.972 2.2753 -1.0387 1.8354 2601SOL OH222905 5.760 5.609 7.575 0.5129 0.4039 -0.2512 2601SOL H122906 5.818 5.660 7.519 -0.5278 1.4742 -0.3924 2601SOL H222907 5.678 5.602 7.526 1.0604 -2.8350 -0.9709 2602SOL OH222908 5.000 3.514 7.987 -0.3363 0.0766 -0.0454 2602SOL H122909 5.057 3.496 7.912 1.7639 -1.1496 1.6984 2602SOL H222910 4.978 3.427 8.021 -4.9706 0.3779 -1.6718 2603SOL OH222911 2.304 5.095 1.698 0.1178 0.0171 -0.6050 2603SOL H122912 2.295 5.167 1.635 -1.8617 -1.1853 -1.8061 2603SOL H222913 2.324 5.019 1.645 0.0658 -0.7332 0.4209 2604SOL OH222914 5.131 1.587 0.706 -0.1284 0.2644 -0.5964 2604SOL H122915 5.115 1.639 0.627 0.4285 -0.2094 -1.0208 2604SOL H222916 5.225 1.590 0.719 -0.0438 -0.9202 -0.8228 2605SOL OH222917 4.795 3.895 7.185 -0.2319 0.0614 0.8587 2605SOL H122918 4.874 3.843 7.200 -0.9658 -0.4274 3.7142 2605SOL H222919 4.798 3.962 7.254 -1.4609 1.1113 -0.0652 2606SOL OH222920 1.618 5.492 7.900 0.1178 0.0634 0.4615 2606SOL H122921 1.656 5.527 7.820 -0.0015 0.4243 0.5637 2606SOL H222922 1.531 5.531 7.905 0.5599 0.9767 1.3769 2607SOL OH222923 0.515 0.913 0.241 -0.0533 -0.5578 0.4492 2607SOL H122924 0.437 0.967 0.253 1.3601 1.5864 0.6162 2607SOL H222925 0.549 0.900 0.329 -1.1262 -3.0532 0.5756 2608SOL OH222926 1.119 0.091 1.555 -0.1360 0.1030 0.0299 2608SOL H122927 1.049 0.153 1.574 -0.3869 -0.3335 0.5281 2608SOL H222928 1.181 0.141 1.501 -0.7306 0.5459 -0.2544 2609SOL OH222929 4.856 0.761 1.075 -0.3133 0.2500 -0.1500 2609SOL H122930 4.780 0.819 1.081 1.2028 2.4934 -1.2882 2609SOL H222931 4.905 0.793 1.000 0.3292 -2.9979 -1.2830 2610SOL OH222932 2.652 5.894 1.191 -0.4653 -0.4357 0.2959 2610SOL H122933 2.685 5.984 1.194 0.8959 -0.9420 1.4450 2610SOL H222934 2.564 5.903 1.156 0.0259 1.2289 -0.6556 2611SOL OH222935 5.925 5.091 7.870 -0.1924 -0.1065 -1.0038 2611SOL H122936 5.921 5.159 7.803 -1.5421 1.1861 0.3032 2611SOL H222937 5.991 5.122 7.932 2.4446 -2.1979 -2.5615 2612SOL OH222938 4.902 0.973 0.715 0.5000 -0.0716 -0.0193 2612SOL H122939 4.910 0.882 0.688 -0.1080 0.2730 -1.4607 2612SOL H222940 4.963 0.982 0.788 4.1490 -0.4576 -2.7663 2613SOL OH222941 1.015 4.371 1.928 -0.5107 -0.4002 -0.0269 2613SOL H122942 1.007 4.425 1.849 0.4532 1.5707 1.1346 2613SOL H222943 1.095 4.403 1.970 -0.1683 -2.4662 0.9883 2614SOL OH222944 3.994 1.740 1.319 -0.1887 -0.2266 0.2454 2614SOL H122945 4.043 1.821 1.329 -1.1591 1.0078 -3.3968 2614SOL H222946 4.058 1.671 1.336 0.4467 1.1156 4.3460 2615SOL OH222947 5.040 0.137 7.570 0.0374 0.4332 -0.0606 2615SOL H122948 5.079 0.172 7.650 -0.8863 2.1425 -0.3003 2615SOL H222949 5.087 0.182 7.499 -1.7550 1.9799 -0.3612 2616SOL OH222950 1.450 5.942 0.839 -0.0705 0.8647 0.4021 2616SOL H122951 1.393 5.990 0.900 -0.7371 1.4088 -0.6139 2616SOL H222952 1.483 5.868 0.890 -0.6768 1.2586 1.3967 2617SOL OH222953 0.747 1.771 7.904 -0.2737 0.2865 -0.1832 2617SOL H122954 0.833 1.807 7.926 0.5211 -0.4857 -1.8735 2617SOL H222955 0.766 1.682 7.874 -1.6887 0.0690 -0.4745 2618SOL OH222956 3.456 4.941 7.729 0.6892 0.4314 -0.1282 2618SOL H122957 3.402 4.911 7.657 1.8925 -0.3517 -0.7262 2618SOL H222958 3.499 4.862 7.762 0.7502 0.8931 0.9476 2619SOL OH222959 4.184 4.408 0.152 -0.1342 0.1332 -0.1895 2619SOL H122960 4.260 4.443 0.198 -0.4801 -0.5718 0.9752 2619SOL H222961 4.148 4.342 0.212 -0.4476 -1.0255 -1.5932 2620SOL OH222962 0.487 0.711 0.042 0.1862 -0.2844 -0.1624 2620SOL H122963 0.497 0.633 0.096 1.0759 0.2016 0.4212 2620SOL H222964 0.464 0.780 0.104 1.4218 0.3294 -0.3503 2621SOL OH222965 0.688 2.262 7.418 -0.0761 0.0086 0.3035 2621SOL H122966 0.687 2.336 7.356 -2.3427 1.2750 1.7152 2621SOL H222967 0.598 2.254 7.448 0.6360 -1.5820 2.2678 2622SOL OH222968 3.706 5.858 0.718 0.5527 -0.0593 -0.1751 2622SOL H122969 3.759 5.860 0.798 0.0575 -1.2547 0.2122 2622SOL H222970 3.697 5.764 0.698 -0.4316 0.1723 -0.8837 2623SOL OH222971 0.774 5.797 0.810 -0.3466 -0.1774 -0.2080 2623SOL H122972 0.816 5.827 0.729 1.6291 0.9919 1.1779 2623SOL H222973 0.706 5.736 0.780 -0.4369 1.0445 -2.7927 2624SOL OH222974 2.329 0.357 1.454 0.2107 -0.1158 -0.6903 2624SOL H122975 2.331 0.276 1.504 -0.0346 -0.4651 -1.2387 2624SOL H222976 2.411 0.358 1.405 0.0584 -0.2119 -0.9523 2625SOL OH222977 5.202 0.822 1.849 -0.0152 0.0389 -0.3388 2625SOL H122978 5.210 0.728 1.835 1.4869 -0.1767 1.5542 2625SOL H222979 5.123 0.847 1.800 -1.6893 -2.5524 0.8216 2626SOL OH222980 2.707 4.169 6.640 0.5451 0.1925 0.6665 2626SOL H122981 2.626 4.140 6.599 1.7042 -1.4021 -0.6524 2626SOL H222982 2.743 4.090 6.680 3.6229 -0.4276 -2.6982 2627SOL OH222983 5.725 3.985 7.408 0.7163 0.1954 -0.1008 2627SOL H122984 5.793 4.035 7.454 0.9426 1.5544 -1.8208 2627SOL H222985 5.764 3.965 7.323 -1.0768 1.1457 -1.1829 2628SOL OH222986 5.505 2.106 0.491 0.0695 -0.0301 -0.5102 2628SOL H122987 5.523 2.110 0.585 -1.3538 0.8302 -0.2514 2628SOL H222988 5.482 2.014 0.475 2.2779 -0.6524 -0.4420 2629SOL OH222989 5.130 3.788 8.046 -0.0386 -0.6975 -0.0464 2629SOL H122990 5.047 3.832 8.061 -0.2969 -0.2771 -2.3011 2629SOL H222991 5.106 3.701 8.015 0.3986 -1.0829 0.6814 2630SOL OH222992 3.122 2.521 7.699 0.2462 0.7252 0.3796 2630SOL H122993 3.217 2.533 7.697 0.3728 -0.0365 1.2559 2630SOL H222994 3.099 2.493 7.611 1.0320 -0.4575 0.5395 2631SOL OH222995 4.424 4.915 6.934 0.1886 -0.6073 0.0978 2631SOL H122996 4.335 4.880 6.943 -0.1311 0.5784 2.3854 2631SOL H222997 4.450 4.936 7.024 2.2129 0.4491 -0.6865 2632SOL OH222998 4.932 5.365 6.936 -0.6425 -0.7207 0.8276 2632SOL H122999 4.860 5.383 6.995 -0.2849 2.0618 0.5620 2632SOL H223000 5.011 5.382 6.988 -0.2874 -0.1512 0.1222 2633SOL OH223001 1.020 5.362 8.320 0.4617 -0.2353 -0.0439 2633SOL H123002 0.992 5.300 8.253 0.2626 -0.7447 0.4973 2633SOL H223003 1.049 5.307 8.393 -1.5823 0.2579 1.2371 2634SOL OH223004 2.938 6.004 0.959 0.0962 0.1937 -0.3222 2634SOL H123005 2.992 5.928 0.980 1.9599 1.5273 0.0160 2634SOL H223006 2.966 6.031 0.872 0.1356 1.0176 -0.0716 2635SOL OH223007 0.157 5.144 6.434 0.2185 0.4735 0.1979 2635SOL H123008 0.189 5.054 6.429 -2.0088 -0.5028 1.6611 2635SOL H223009 0.154 5.163 6.528 -2.8656 0.5962 0.1942 2636SOL OH223010 3.627 3.283 6.927 -0.0517 0.0521 0.4697 2636SOL H123011 3.627 3.316 7.017 -1.6574 1.5261 -0.0088 2636SOL H223012 3.561 3.337 6.883 0.5648 -0.7820 -1.5387 2637SOL OH223013 0.088 5.490 8.007 -0.0468 0.1588 -0.3251 2637SOL H123014 -0.004 5.476 8.033 -0.0670 -0.1708 -0.5612 2637SOL H223015 0.112 5.409 7.963 0.0006 0.6861 -1.2937 2638SOL OH223016 2.179 1.992 7.413 -0.8386 -0.5277 0.0835 2638SOL H123017 2.100 2.040 7.438 -0.7862 1.1016 -2.5280 2638SOL H223018 2.226 1.980 7.495 -3.4793 -1.0592 1.6384 2639SOL OH223019 0.395 3.036 6.954 -0.4501 -0.1064 0.6051 2639SOL H123020 0.418 3.047 7.046 -4.9399 0.6105 1.9125 2639SOL H223021 0.455 3.093 6.907 1.5864 -0.0093 3.0985 2640SOL OH223022 1.879 3.141 1.441 0.2012 -0.1732 0.4385 2640SOL H123023 1.906 3.049 1.436 -0.6387 -0.3584 -1.8150 2640SOL H223024 1.920 3.183 1.365 -0.2524 1.0883 0.8614 2641SOL OH223025 0.344 0.676 1.359 -0.4351 -0.1279 -0.3970 2641SOL H123026 0.381 0.632 1.282 -0.7670 0.1874 -0.7391 2641SOL H223027 0.333 0.605 1.423 1.0321 -0.1825 -0.1665 2642SOL OH223028 0.287 5.701 8.318 0.1916 0.2103 -0.3222 2642SOL H123029 0.218 5.653 8.272 1.1707 -1.0671 -0.5327 2642SOL H223030 0.241 5.754 8.383 -0.9647 -0.9833 -0.1318 2643SOL OH223031 4.129 0.383 2.217 0.2260 0.2220 -0.1566 2643SOL H123032 4.071 0.410 2.147 1.3580 0.2515 -1.1112 2643SOL H223033 4.129 0.457 2.278 -1.1530 -0.0060 0.1619 2644SOL OH223034 2.394 1.532 5.770 -0.0379 0.4562 0.2748 2644SOL H123035 2.320 1.585 5.739 -1.0161 -0.6796 0.5615 2644SOL H223036 2.353 1.452 5.801 1.4295 -0.6545 -0.5418 2645SOL OH223037 0.981 1.219 0.377 0.2955 -0.7712 -0.5660 2645SOL H123038 0.901 1.205 0.428 1.0648 -1.3192 0.5350 2645SOL H223039 1.025 1.292 0.420 -1.0172 1.6102 -2.9891 2646SOL OH223040 4.152 2.983 6.690 0.4079 -0.1547 -0.2018 2646SOL H123041 4.187 2.893 6.693 2.9973 0.6897 -1.7517 2646SOL H223042 4.064 2.973 6.655 1.2626 -2.0119 -2.0742 2647SOL OH223043 1.940 3.507 1.834 -0.1961 -0.5033 -0.3035 2647SOL H123044 1.868 3.469 1.885 0.8985 -0.4961 1.3359 2647SOL H223045 1.980 3.570 1.893 0.6951 0.0426 -1.4588 2648SOL OH223046 4.066 2.723 1.742 0.0970 -0.0891 0.5196 2648SOL H123047 4.031 2.680 1.820 -1.5760 -0.0102 -0.1628 2648SOL H223048 4.149 2.677 1.726 0.1318 -0.5728 1.9142 2649SOL OH223049 4.429 4.933 1.763 0.1537 0.4914 0.6005 2649SOL H123050 4.414 4.896 1.676 0.5054 1.4127 0.1340 2649SOL H223051 4.524 4.929 1.775 0.0458 -0.2735 1.2411 2650SOL OH223052 2.628 3.864 1.463 -0.4168 -0.4363 0.1885 2650SOL H123053 2.538 3.843 1.486 -0.5742 -1.6510 -1.3088 2650SOL H223054 2.669 3.778 1.448 0.4776 0.1527 -0.8844 2651SOL OH223055 4.560 3.398 0.158 0.2858 0.4361 -0.2420 2651SOL H123056 4.656 3.406 0.160 0.1990 1.7157 -0.2782 2651SOL H223057 4.541 3.360 0.073 0.8029 -0.6813 0.1241 2652SOL OH223058 5.416 0.842 7.495 0.3067 0.4011 0.7311 2652SOL H123059 5.423 0.747 7.502 2.1427 0.2068 -2.2098 2652SOL H223060 5.498 0.870 7.455 -1.2417 2.8660 -1.0467 2653SOL OH223061 2.616 1.655 6.366 0.2924 0.4298 -0.6111 2653SOL H123062 2.598 1.562 6.384 3.8337 0.0071 1.6771 2653SOL H223063 2.565 1.702 6.432 -1.4018 0.2213 -1.6883 2654SOL OH223064 3.159 1.732 1.937 0.3011 0.3433 -0.0654 2654SOL H123065 3.109 1.779 1.871 -1.0430 -0.4830 0.3324 2654SOL H223066 3.120 1.645 1.940 0.1831 0.4107 1.9316 2655SOL OH223067 5.300 0.937 0.826 0.1962 0.3214 0.4924 2655SOL H123068 5.240 0.984 0.884 -1.3498 -0.2655 -0.5635 2655SOL H223069 5.273 0.845 0.834 1.1310 0.0087 0.1755 2656SOL OH223070 1.138 2.128 7.450 -0.0903 0.1874 -0.4924 2656SOL H123071 1.076 2.139 7.378 0.9295 1.1219 -1.2669 2656SOL H223072 1.103 2.184 7.520 -2.0296 -2.0431 0.4722 2657SOL OH223073 5.243 2.642 0.016 -0.1996 -0.3232 0.1180 2657SOL H123074 5.300 2.588 -0.039 -0.2841 0.6381 -0.9550 2657SOL H223075 5.288 2.646 0.101 2.0864 1.4585 -1.0395 2658SOL OH223076 4.033 4.459 7.335 -0.4578 -0.1185 0.1094 2658SOL H123077 3.978 4.472 7.412 0.0381 1.6121 0.2131 2658SOL H223078 4.066 4.546 7.314 -0.8359 -0.4809 -2.2634 2659SOL OH223079 3.386 0.042 1.226 -0.4657 0.8336 0.0196 2659SOL H123080 3.354 0.088 1.148 1.5697 -0.3352 -1.5855 2659SOL H223081 3.409 0.113 1.286 -1.5834 1.7810 -0.6129 2660SOL OH223082 4.280 3.632 7.880 0.1060 0.0998 -0.4237 2660SOL H123083 4.272 3.726 7.895 4.0304 0.7713 -1.4998 2660SOL H223084 4.289 3.594 7.967 0.8428 1.0730 -0.0597 2661SOL OH223085 2.993 5.604 7.681 0.6473 0.1664 0.2694 2661SOL H123086 3.058 5.557 7.629 -1.0439 -2.0438 0.0452 2661SOL H223087 3.045 5.653 7.745 2.5996 0.1866 -1.2423 2662SOL OH223088 3.507 3.360 0.508 -0.6859 -0.3219 0.0959 2662SOL H123089 3.464 3.286 0.465 0.5010 -1.0146 0.0696 2662SOL H223090 3.563 3.320 0.574 -1.3363 0.6492 1.2880 2663SOL OH223091 2.625 5.875 7.784 0.2756 -0.4595 0.0568 2663SOL H123092 2.540 5.855 7.746 0.0097 0.4971 0.1312 2663SOL H223093 2.667 5.790 7.795 -0.6936 -0.9481 0.0719 2664SOL OH223094 4.898 1.573 1.375 -0.0674 -0.1201 -0.1781 2664SOL H123095 4.916 1.552 1.284 1.5981 -1.5946 0.4202 2664SOL H223096 4.981 1.557 1.420 0.0237 3.3210 1.1949 2665SOL OH223097 4.623 1.720 6.290 0.4092 0.2992 0.4369 2665SOL H123098 4.635 1.693 6.199 -0.7944 0.2636 0.2694 2665SOL H223099 4.550 1.666 6.321 0.9191 0.1919 1.4808 2666SOL OH223100 2.502 2.865 8.408 0.1056 0.4441 -0.2746 2666SOL H123101 2.575 2.921 8.381 0.7651 -0.0395 0.4722 2666SOL H223102 2.451 2.919 8.468 1.1536 0.0212 1.0357 2667SOL OH223103 5.440 4.863 7.877 -0.1212 -0.2624 0.1282 2667SOL H123104 5.393 4.945 7.889 -1.1461 -1.0101 1.5336 2667SOL H223105 5.378 4.795 7.904 0.4812 -1.5699 -1.5580 2668SOL OH223106 3.199 0.931 0.149 -0.0557 -0.5239 -0.1709 2668SOL H123107 3.148 0.968 0.220 -0.0984 -0.9928 0.0437 2668SOL H223108 3.257 0.867 0.191 0.7268 0.0105 -0.4024 2669SOL OH223109 2.346 5.345 8.475 0.3014 0.0555 -0.5025 2669SOL H123110 2.353 5.368 8.383 0.2915 0.9078 -0.2952 2669SOL H223111 2.435 5.318 8.500 0.4903 0.6198 -0.5565 2670SOL OH223112 3.605 0.765 6.380 0.0387 0.4198 0.4027 2670SOL H123113 3.563 0.752 6.294 0.5943 -1.3006 0.3492 2670SOL H223114 3.691 0.801 6.359 1.2750 -2.5185 -0.0516 2671SOL OH223115 4.322 5.159 6.070 -0.7198 -0.5157 -0.3823 2671SOL H123116 4.415 5.148 6.051 -0.3374 0.3716 0.8662 2671SOL H223117 4.288 5.209 5.995 -0.0111 -0.1004 -0.4302 2672SOL OH223118 1.988 5.702 6.881 -0.1028 0.9074 -0.5022 2672SOL H123119 1.900 5.732 6.858 -0.4356 -0.5315 -1.1655 2672SOL H223120 2.045 5.745 6.817 -0.5975 0.0366 -1.5680 2673SOL OH223121 3.741 1.217 1.357 0.7508 -0.0273 0.5544 2673SOL H123122 3.778 1.131 1.337 -0.6008 -0.0220 -2.5004 2673SOL H223123 3.813 1.278 1.340 0.4534 -0.2698 -1.9695 2674SOL OH223124 0.174 4.465 6.255 -0.0678 -0.0853 0.0879 2674SOL H123125 0.269 4.475 6.246 0.1407 -1.6252 0.3561 2674SOL H223126 0.138 4.518 6.184 0.9003 1.9635 1.0420 2675SOL OH223127 4.838 5.746 6.835 -0.3403 0.4396 -0.1680 2675SOL H123128 4.864 5.668 6.785 -1.1284 -0.4059 0.7027 2675SOL H223129 4.743 5.737 6.846 -0.5458 1.8570 -0.5794 2676SOL OH223130 4.614 3.397 7.907 0.1670 -0.8638 -0.2712 2676SOL H123131 4.681 3.348 7.859 -0.9528 0.5847 -3.5516 2676SOL H223132 4.645 3.487 7.907 -1.2774 -0.3438 -0.9216 2677SOL OH223133 3.775 1.651 0.900 -0.4746 0.2047 -0.1280 2677SOL H123134 3.869 1.630 0.904 -0.3236 1.0526 1.5695 2677SOL H223135 3.765 1.728 0.955 -2.3889 -0.7325 0.9542 2678SOL OH223136 5.120 1.287 2.167 -0.0347 -0.1536 -0.1036 2678SOL H123137 5.147 1.324 2.083 0.6475 1.8996 0.9531 2678SOL H223138 5.032 1.322 2.182 0.6267 1.2009 0.9157 2679SOL OH223139 0.565 2.923 2.192 -0.1479 0.6197 0.6089 2679SOL H123140 0.569 2.887 2.103 -0.8877 0.4240 0.6509 2679SOL H223141 0.520 2.855 2.243 0.1874 0.7732 1.1148 2680SOL OH223142 4.616 2.055 7.810 -0.8711 -0.5435 -0.1278 2680SOL H123143 4.654 2.132 7.852 1.8349 -2.0067 0.2780 2680SOL H223144 4.610 2.079 7.718 0.7562 -0.0987 -0.1493 2681SOL OH223145 0.484 1.542 7.932 0.1398 0.0168 0.0240 2681SOL H123146 0.422 1.482 7.974 0.2042 -0.2820 -0.3072 2681SOL H223147 0.563 1.536 7.986 0.0390 0.0497 0.1767 2682SOL OH223148 5.950 1.193 0.474 1.0374 -0.0491 -0.4859 2682SOL H123149 5.919 1.111 0.436 1.2497 0.0062 -0.7822 2682SOL H223150 5.874 1.250 0.475 0.8691 -0.2749 -0.2025 2683SOL OH223151 0.760 1.244 7.506 0.3128 -0.8651 0.0668 2683SOL H123152 0.818 1.300 7.558 -1.1421 0.5905 0.1799 2683SOL H223153 0.673 1.260 7.541 -0.2546 -2.6819 -0.4012 2684SOL OH223154 3.744 0.202 8.061 0.3888 -0.7558 0.4604 2684SOL H123155 3.725 0.290 8.096 0.9417 -0.6308 0.4569 2684SOL H223156 3.657 0.165 8.042 0.0789 -0.7609 1.7918 2685SOL OH223157 5.593 4.709 7.149 -0.1721 -0.3462 0.0160 2685SOL H123158 5.591 4.791 7.198 0.2155 -0.4712 0.2410 2685SOL H223159 5.544 4.647 7.203 -0.9357 -0.1263 -0.4105 2686SOL OH223160 0.245 4.929 1.039 0.5566 0.0934 0.3924 2686SOL H123161 0.227 4.987 1.113 1.9794 -0.8137 1.4865 2686SOL H223162 0.202 4.846 1.062 0.0269 0.1419 -0.3547 2687SOL OH223163 1.373 2.891 0.468 -0.1618 0.0375 -0.3996 2687SOL H123164 1.460 2.899 0.507 -1.4208 2.7127 2.2219 2687SOL H223165 1.382 2.929 0.381 1.0880 1.3505 0.2691 2688SOL OH223166 3.168 0.616 0.293 0.2367 0.0997 -0.4054 2688SOL H123167 3.179 0.525 0.264 -0.5054 -0.2795 0.4517 2688SOL H223168 3.081 0.640 0.264 -0.4658 -0.2387 1.3016 2689SOL OH223169 1.774 5.927 2.038 0.9547 -0.4872 -0.2262 2689SOL H123170 1.775 5.972 1.953 2.3558 1.2069 0.6135 2689SOL H223171 1.752 5.996 2.100 1.6196 -1.3175 0.9669 2690SOL OH223172 2.849 5.282 0.762 -0.7696 -0.3333 -0.0398 2690SOL H123173 2.924 5.226 0.742 -1.0849 -0.9609 0.5152 2690SOL H223174 2.781 5.253 0.702 -0.6126 0.1597 -0.4640 2691SOL OH223175 2.169 1.558 7.369 -0.2724 -0.4144 0.3026 2691SOL H123176 2.131 1.522 7.289 -1.2938 -0.9636 1.0162 2691SOL H223177 2.254 1.593 7.341 -0.7138 -0.3671 -1.0588 2692SOL OH223178 4.369 0.141 0.188 0.2687 -0.2608 0.1883 2692SOL H123179 4.339 0.224 0.225 2.3249 0.2047 0.9023 2692SOL H223180 4.386 0.162 0.096 0.0402 -0.0953 0.1814 2693SOL OH223181 0.044 2.408 7.697 0.2972 -0.1460 0.5381 2693SOL H123182 -0.046 2.431 7.671 0.7036 -0.5695 -1.3697 2693SOL H223183 0.092 2.490 7.687 0.5718 -0.4353 -0.7252 2694SOL OH223184 4.870 0.508 7.149 0.9273 0.3578 0.5287 2694SOL H123185 4.812 0.448 7.103 0.9527 -0.6213 1.7383 2694SOL H223186 4.870 0.587 7.095 0.3769 -0.4825 -0.7447 2695SOL OH223187 2.471 1.080 6.907 0.4955 0.0130 -0.3595 2695SOL H123188 2.376 1.076 6.919 0.4913 1.8554 0.4466 2695SOL H223189 2.500 0.989 6.916 -1.1228 -0.4920 -0.0488 2696SOL OH223190 4.039 5.700 1.234 -0.3677 0.4696 -0.8218 2696SOL H123191 4.054 5.712 1.328 -0.9931 0.7714 -0.7544 2696SOL H223192 4.114 5.743 1.192 1.5780 -2.3072 -0.4371 2697SOL OH223193 3.316 1.300 1.667 0.5785 0.4760 0.2088 2697SOL H123194 3.347 1.364 1.602 0.9511 -2.1315 -2.4145 2697SOL H223195 3.382 1.230 1.665 -2.1877 -2.3599 -0.9404 2698SOL OH223196 0.250 4.958 6.919 -0.5458 0.3219 -0.1534 2698SOL H123197 0.301 5.010 6.981 -0.6436 1.4791 -0.9976 2698SOL H223198 0.312 4.895 6.883 -0.3917 -0.0791 0.8040 2699SOL OH223199 1.539 1.781 6.432 0.7624 -0.6561 0.3717 2699SOL H123200 1.605 1.838 6.394 1.5028 -2.1970 -0.7258 2699SOL H223201 1.589 1.715 6.481 -0.1060 0.2052 2.5791 2700SOL OH223202 4.302 2.760 1.149 -0.4368 -0.0422 -0.3187 2700SOL H123203 4.335 2.809 1.225 0.0633 -0.0622 -0.5161 2700SOL H223204 4.208 2.776 1.149 -0.4257 0.0603 0.2332 2701SOL OH223205 1.600 5.531 1.590 0.5332 0.2491 -0.5642 2701SOL H123206 1.665 5.581 1.541 0.3282 0.7353 -0.3454 2701SOL H223207 1.618 5.551 1.682 -0.7233 1.4301 -0.5339 2702SOL OH223208 5.303 3.530 1.607 -0.0039 -0.0587 0.4390 2702SOL H123209 5.215 3.540 1.642 0.2157 1.3749 0.6150 2702SOL H223210 5.301 3.577 1.523 0.6676 0.2410 0.5836 2703SOL OH223211 4.985 3.253 8.093 0.4684 -0.2448 -0.3992 2703SOL H123212 4.946 3.177 8.048 -0.4545 -0.5307 0.8384 2703SOL H223213 5.064 3.218 8.134 0.8194 -0.1939 -1.0210 2704SOL OH223214 3.182 4.760 0.389 0.2206 0.1732 0.7315 2704SOL H123215 3.278 4.756 0.392 0.4183 2.1385 -0.7537 2704SOL H223216 3.154 4.750 0.480 1.8855 0.5836 1.3252 2705SOL OH223217 0.703 3.316 0.204 -0.2233 -0.3217 0.3320 2705SOL H123218 0.639 3.377 0.168 0.6328 -0.6724 -1.9185 2705SOL H223219 0.719 3.348 0.293 -1.5995 1.2730 0.0426 2706SOL OH223220 5.587 5.477 0.731 -0.2665 -0.2070 0.7245 2706SOL H123221 5.648 5.406 0.712 0.7039 0.5125 1.0988 2706SOL H223222 5.537 5.487 0.649 -0.4483 -1.3295 0.6818 2707SOL OH223223 0.363 4.169 0.152 0.0327 -0.1140 0.4959 2707SOL H123224 0.411 4.143 0.231 -0.2448 -0.4415 0.5597 2707SOL H223225 0.327 4.255 0.173 3.1842 1.6833 -0.6591 2708SOL OH223226 0.403 2.482 8.048 0.2523 0.0276 -0.8952 2708SOL H123227 0.391 2.391 8.076 2.7903 -0.2799 -0.5454 2708SOL H223228 0.445 2.524 8.123 1.0278 0.9261 -1.8167 2709SOL OH223229 1.246 0.703 6.575 0.0125 -0.2010 -0.4595 2709SOL H123230 1.219 0.645 6.503 -0.3951 -0.0471 -0.4366 2709SOL H223231 1.328 0.666 6.607 0.2370 -0.2268 -1.0552 2710SOL OH223232 2.077 4.762 2.494 0.6012 -0.1763 0.0845 2710SOL H123233 2.089 4.857 2.497 1.5157 -0.3019 0.7494 2710SOL H223234 1.984 4.748 2.514 0.4205 0.5769 -0.2008 2711SOL OH223235 5.302 1.867 0.924 0.1194 0.6601 0.4374 2711SOL H123236 5.354 1.933 0.969 0.0938 1.1245 -0.2102 2711SOL H223237 5.225 1.914 0.892 1.4890 1.0806 -2.6714 2712SOL OH223238 2.946 2.464 7.900 0.8026 -0.0222 -0.3100 2712SOL H123239 2.865 2.417 7.880 -0.6945 1.8668 0.9739 2712SOL H223240 2.985 2.482 7.814 -0.0283 -1.1216 -0.9454 2713SOL OH223241 1.648 2.424 6.952 0.1846 0.6930 -0.3207 2713SOL H123242 1.590 2.364 6.904 -1.4205 0.9393 1.2138 2713SOL H223243 1.592 2.463 7.019 2.8263 -1.8736 3.8812 2714SOL OH223244 2.656 0.075 0.450 -0.2293 0.2949 0.2903 2714SOL H123245 2.704 0.055 0.369 -0.1150 0.6564 0.2669 2714SOL H223246 2.637 0.169 0.444 -2.3599 -0.1286 -0.4664 2715SOL OH223247 2.429 3.794 0.793 -0.3272 0.5694 -0.2742 2715SOL H123248 2.515 3.820 0.827 -0.8242 1.7753 0.1240 2715SOL H223249 2.367 3.848 0.843 -1.3152 -0.3225 -0.5250 2716SOL OH223250 3.330 1.743 6.698 0.6330 0.1740 -0.1876 2716SOL H123251 3.352 1.743 6.791 1.9599 1.0556 -0.4770 2716SOL H223252 3.262 1.809 6.689 -2.1958 -2.3847 0.6738 2717SOL OH223253 0.720 2.735 0.363 0.1232 0.2222 0.2050 2717SOL H123254 0.719 2.640 0.373 0.2033 0.1286 -0.5829 2717SOL H223255 0.629 2.762 0.377 -0.0345 -0.0538 -0.2511 2718SOL OH223256 3.397 -0.014 0.421 -0.1334 -0.0691 -0.0760 2718SOL H123257 3.336 0.055 0.445 0.5079 1.0708 -1.5330 2718SOL H223258 3.430 0.012 0.335 0.2434 -2.1376 -0.6188 2719SOL OH223259 5.415 1.540 8.199 0.1163 -0.1745 0.0633 2719SOL H123260 5.493 1.486 8.212 0.1291 -0.2304 -0.2366 2719SOL H223261 5.414 1.557 8.105 0.2337 0.5273 0.1833 2720SOL OH223262 0.938 3.503 6.722 0.8233 -0.0629 0.2985 2720SOL H123263 1.029 3.492 6.695 0.7652 0.5630 -0.1977 2720SOL H223264 0.922 3.597 6.713 -0.0897 -0.2649 -0.3767 2721SOL OH223265 1.507 5.431 0.072 0.1121 0.5467 0.7526 2721SOL H123266 1.457 5.371 0.127 -1.3041 0.4939 -0.5293 2721SOL H223267 1.448 5.453 -0.000 1.0288 2.5324 0.5321 2722SOL OH223268 5.073 3.983 2.310 0.5486 0.3331 -0.2806 2722SOL H123269 5.036 3.982 2.221 -0.1679 0.0738 0.0144 2722SOL H223270 5.089 4.076 2.328 1.5582 0.3263 -1.0178 2723SOL OH223271 1.012 3.061 8.393 0.3819 -0.0133 -0.9015 2723SOL H123272 0.921 3.085 8.409 0.1588 -1.3855 0.0549 2723SOL H223273 1.045 3.035 8.479 0.4413 -3.5154 -1.8477 2724SOL OH223274 4.037 5.031 7.984 0.3329 -0.3361 -0.1280 2724SOL H123275 4.088 4.975 7.925 0.5799 1.2491 -1.4867 2724SOL H223276 4.011 4.973 8.056 0.9619 -2.0619 -1.2378 2725SOL OH223277 0.674 1.757 1.070 -0.1163 -0.4230 -0.1615 2725SOL H123278 0.693 1.678 1.122 0.1420 -1.1039 -1.2447 2725SOL H223279 0.611 1.806 1.123 -0.2586 -1.3446 0.5574 2726SOL OH223280 3.733 2.940 -0.021 0.5016 0.2836 0.2333 2726SOL H123281 3.811 2.917 0.029 -0.1327 -0.3701 0.9390 2726SOL H223282 3.680 2.993 0.039 0.2781 0.5093 -0.1543 2727SOL OH223283 0.072 3.428 6.751 0.1680 -0.5450 1.1383 2727SOL H123284 0.123 3.446 6.672 2.1728 -4.3846 1.2932 2727SOL H223285 -0.015 3.463 6.733 1.5616 2.0608 -1.1318 2728SOL OH223286 3.592 4.909 1.751 -0.8775 0.6529 0.1500 2728SOL H123287 3.556 4.888 1.837 0.4202 -0.2211 0.5166 2728SOL H223288 3.588 4.827 1.702 1.8038 0.0969 0.6843 2729SOL OH223289 4.244 0.640 6.694 -0.8866 0.0354 0.1404 2729SOL H123290 4.213 0.620 6.606 1.3988 -0.1600 -0.6925 2729SOL H223291 4.210 0.570 6.749 0.6371 -1.9552 -1.3095 2730SOL OH223292 2.453 2.557 7.367 -0.0526 0.2501 0.0029 2730SOL H123293 2.473 2.620 7.436 1.3240 -0.1333 -0.0131 2730SOL H223294 2.358 2.559 7.359 -0.1915 0.6866 1.5422 2731SOL OH223295 0.701 1.170 1.415 0.5476 0.1520 -0.1513 2731SOL H123296 0.656 1.159 1.332 -0.4785 0.7235 0.3142 2731SOL H223297 0.714 1.081 1.447 1.7585 -0.1286 -1.3138 2732SOL OH223298 3.614 5.791 0.407 0.5588 -0.2020 0.3999 2732SOL H123299 3.665 5.871 0.401 -1.3796 1.0425 -0.2891 2732SOL H223300 3.651 5.734 0.340 0.8192 0.7975 -0.3215 2733SOL OH223301 2.475 3.989 1.059 -0.0660 -0.9932 -0.2656 2733SOL H123302 2.478 4.074 1.016 -0.0904 -0.8730 -0.0284 2733SOL H223303 2.524 4.000 1.140 -0.6007 -1.0286 0.0710 2734SOL OH223304 1.218 2.713 8.050 -0.0891 0.3649 0.3000 2734SOL H123305 1.273 2.765 7.991 -1.7298 2.3484 0.4127 2734SOL H223306 1.174 2.778 8.105 -1.3018 -1.2429 1.3126 2735SOL OH223307 1.646 3.939 1.361 0.0814 0.1577 -0.0089 2735SOL H123308 1.677 3.868 1.305 0.3950 0.4460 -0.2044 2735SOL H223309 1.581 3.898 1.418 -0.3146 -0.1208 -0.6459 2736SOL OH223310 2.619 0.235 2.156 -1.1078 0.6077 0.0141 2736SOL H123311 2.649 0.198 2.073 -1.0601 -0.8710 0.6604 2736SOL H223312 2.695 0.284 2.188 -0.3787 -0.5654 0.1657 2737SOL OH223313 2.138 2.590 6.504 -0.0298 -0.1591 -0.7967 2737SOL H123314 2.116 2.666 6.558 0.6661 -0.5473 0.0656 2737SOL H223315 2.070 2.588 6.437 -0.9703 0.3102 0.0985 2738SOL OH223316 0.225 0.745 8.113 0.4877 -0.5838 0.7707 2738SOL H123317 0.173 0.668 8.090 -0.9377 0.4265 0.4849 2738SOL H223318 0.280 0.715 8.186 0.9815 -2.2342 -0.2221 2739SOL OH223319 2.368 4.280 7.122 0.6450 -0.1225 -0.1358 2739SOL H123320 2.442 4.234 7.082 0.0909 -1.2072 0.0528 2739SOL H223321 2.315 4.310 7.048 1.1843 0.5265 -0.2675 2740SOL OH223322 2.641 2.695 0.084 -0.4216 -0.0748 -0.0819 2740SOL H123323 2.736 2.694 0.069 -0.2059 -0.4374 1.2081 2740SOL H223324 2.614 2.783 0.060 0.5771 0.6628 1.3846 2741SOL OH223325 5.311 5.991 8.420 0.6205 -0.2507 -0.3789 2741SOL H123326 5.336 6.003 8.512 1.1912 -2.5267 -0.1681 2741SOL H223327 5.216 5.983 8.422 0.3466 2.2289 -0.3739 2742SOL OH223328 1.613 5.685 6.475 -0.1688 -0.3668 0.2839 2742SOL H123329 1.660 5.762 6.507 1.4865 -0.5444 -1.5080 2742SOL H223330 1.654 5.611 6.521 2.0940 -0.6076 -1.9128 2743SOL OH223331 2.653 5.529 8.280 -0.0898 0.2820 0.3372 2743SOL H123332 2.634 5.518 8.373 -0.4141 -1.9444 0.0536 2743SOL H223333 2.720 5.598 8.278 0.8680 -0.4864 2.3442 2744SOL OH223334 3.561 0.234 6.374 -0.6282 -0.1782 0.0429 2744SOL H123335 3.526 0.323 6.384 0.8390 0.2862 1.6460 2744SOL H223336 3.631 0.229 6.439 -0.1661 -2.2702 -0.5465 2745SOL OH223337 1.475 5.339 1.096 0.1228 0.7817 0.0605 2745SOL H123338 1.391 5.376 1.070 -0.4245 -1.4134 -1.6509 2745SOL H223339 1.454 5.253 1.131 1.6351 -0.0045 -0.8350 2746SOL OH223340 0.461 5.696 7.290 0.4040 -0.3605 0.1146 2746SOL H123341 0.452 5.783 7.251 -2.5630 -1.2598 -1.5015 2746SOL H223342 0.523 5.650 7.233 1.6710 0.5218 0.7453 2747SOL OH223343 0.427 3.796 6.435 -0.0120 0.3153 -0.4705 2747SOL H123344 0.443 3.871 6.377 1.9739 -0.1037 -0.5068 2747SOL H223345 0.409 3.723 6.376 -1.5586 0.6428 -0.4425 2748SOL OH223346 4.137 1.975 1.360 0.3549 0.6254 -0.3628 2748SOL H123347 4.151 1.974 1.455 0.8740 -1.5974 -0.4176 2748SOL H223348 4.088 2.056 1.344 0.0533 0.9339 1.8160 2749SOL OH223349 2.315 3.704 7.925 -0.4348 -0.3857 0.1334 2749SOL H123350 2.260 3.664 7.993 -1.0180 -0.7613 -0.5445 2749SOL H223351 2.303 3.647 7.849 0.1077 0.1061 -0.3221 2750SOL OH223352 0.126 4.389 8.369 0.2955 -0.3151 0.5832 2750SOL H123353 0.218 4.382 8.395 1.2680 -0.8727 -2.6275 2750SOL H223354 0.115 4.482 8.348 1.4140 -0.8070 -2.8102 2751SOL OH223355 1.662 3.349 1.962 0.0491 -0.1751 0.1981 2751SOL H123356 1.687 3.256 1.965 -2.7391 -1.0282 0.2926 2751SOL H223357 1.644 3.365 1.869 1.7942 0.7200 -0.0277 2752SOL OH223358 4.276 5.334 0.971 -0.5254 -0.0193 0.6581 2752SOL H123359 4.249 5.338 0.880 2.0485 0.4889 -0.1635 2752SOL H223360 4.356 5.386 0.975 -0.5043 -0.1009 3.2064 2753SOL OH223361 2.229 4.531 2.432 0.4790 0.1697 0.3835 2753SOL H123362 2.197 4.466 2.494 0.4721 -0.1196 0.0790 2753SOL H223363 2.191 4.614 2.461 -1.7316 -0.3554 -0.7741 2754SOL OH223364 5.277 5.175 7.049 0.2844 0.4887 0.4541 2754SOL H123365 5.207 5.174 7.115 0.9878 -2.7582 1.2932 2754SOL H223366 5.285 5.267 7.024 -2.9177 1.2377 1.7613 2755SOL OH223367 2.604 0.657 5.963 -0.2441 -0.8415 -1.0688 2755SOL H123368 2.607 0.721 5.892 -2.2861 0.7408 0.1588 2755SOL H223369 2.694 0.649 5.992 -0.0864 3.2032 0.1326 2756SOL OH223370 2.562 1.603 0.856 -0.4558 -0.1791 0.4722 2756SOL H123371 2.511 1.544 0.800 -2.5072 0.1571 1.8914 2756SOL H223372 2.515 1.686 0.852 0.5504 0.4420 1.0855 2757SOL OH223373 3.512 3.951 1.385 -0.3546 0.0208 0.5292 2757SOL H123374 3.494 3.866 1.345 1.8388 -0.7241 0.9859 2757SOL H223375 3.529 4.010 1.312 -3.4206 0.5591 0.1197 2758SOL OH223376 5.110 5.862 8.027 -0.7068 0.2301 0.6038 2758SOL H123377 5.119 5.793 7.961 -1.3579 1.5826 -0.9718 2758SOL H223378 5.194 5.864 8.071 -0.6448 -1.4984 0.6271 2759SOL OH223379 5.453 2.777 1.624 -0.4637 -0.3653 -0.0969 2759SOL H123380 5.396 2.841 1.582 -0.9288 -0.6486 0.0918 2759SOL H223381 5.541 2.814 1.615 -0.6278 -0.1134 -0.7425 2760SOL OH223382 3.584 5.385 6.888 0.5893 -0.0815 -0.6390 2760SOL H123383 3.603 5.316 6.825 -0.6626 -2.9019 1.8249 2760SOL H223384 3.488 5.384 6.896 0.5559 1.8117 -0.3021 2761SOL OH223385 4.647 1.296 0.061 0.0683 0.4373 -0.9299 2761SOL H123386 4.606 1.354 -0.003 -1.9900 1.1596 0.9085 2761SOL H223387 4.694 1.355 0.120 -1.1891 0.1893 0.3617 2762SOL OH223388 2.172 2.007 8.300 0.3610 0.4622 0.4635 2762SOL H123389 2.267 1.999 8.313 0.6160 2.3387 -0.0667 2762SOL H223390 2.146 2.077 8.360 0.0491 2.8515 -2.2661 2763SOL OH223391 1.391 0.703 0.536 -0.1373 0.0630 -0.1282 2763SOL H123392 1.415 0.775 0.595 -0.8229 -0.3122 0.6351 2763SOL H223393 1.452 0.710 0.463 1.0488 0.2765 0.8426 2764SOL OH223394 0.587 4.026 7.196 0.1658 0.2614 0.0228 2764SOL H123395 0.591 4.105 7.143 -0.5864 -0.1735 -0.6987 2764SOL H223396 0.496 3.997 7.191 0.9137 -2.1288 -1.9817 2765SOL OH223397 3.864 1.150 1.806 0.8138 -0.1271 -0.1054 2765SOL H123398 3.820 1.072 1.839 -2.0192 1.0493 -0.7544 2765SOL H223399 3.880 1.131 1.713 1.2300 -0.3570 0.0099 2766SOL OH223400 1.352 1.402 7.912 -0.2509 0.1757 0.5087 2766SOL H123401 1.287 1.444 7.856 -1.3507 -0.5943 1.1926 2766SOL H223402 1.358 1.460 7.988 1.6391 1.5170 -0.5490 2767SOL OH223403 4.782 4.416 7.841 0.5550 0.3052 -0.9697 2767SOL H123404 4.870 4.400 7.805 -0.0461 -1.7468 -1.6942 2767SOL H223405 4.749 4.328 7.861 -1.1244 1.0822 -0.1742 2768SOL OH223406 3.961 5.800 1.946 -0.6051 0.1963 -0.8867 2768SOL H123407 3.926 5.805 2.035 -0.9632 2.2700 -1.0992 2768SOL H223408 3.911 5.730 1.905 -1.1440 -0.1062 0.2361 2769SOL OH223409 4.725 5.131 0.271 -0.1032 -0.1553 -0.5471 2769SOL H123410 4.746 5.041 0.295 -0.2336 0.3031 1.4376 2769SOL H223411 4.794 5.184 0.311 -1.6136 0.8414 0.9014 2770SOL OH223412 3.900 6.076 0.086 -0.3926 0.6992 0.3763 2770SOL H123413 3.844 6.084 0.009 0.9388 0.9783 -0.5939 2770SOL H223414 3.985 6.049 0.052 -0.8593 -3.9242 2.1357 2771SOL OH223415 0.030 4.309 6.444 -0.1361 0.4036 -0.8433 2771SOL H123416 0.040 4.217 6.421 0.1648 0.2430 -0.0829 2771SOL H223417 0.086 4.355 6.381 -0.4608 0.0948 -1.3706 2772SOL OH223418 1.134 5.210 7.441 0.2250 -0.2991 0.2243 2772SOL H123419 1.126 5.127 7.488 -3.4294 -0.4688 -0.4449 2772SOL H223420 1.151 5.275 7.510 0.1507 -1.2050 1.1203 2773SOL OH223421 5.520 5.465 8.222 -0.2742 -0.1236 0.0792 2773SOL H123422 5.589 5.512 8.269 -1.7523 1.2495 0.9467 2773SOL H223423 5.485 5.530 8.161 -3.0191 0.3401 1.9799 2774SOL OH223424 5.700 2.882 7.180 0.9698 0.6405 0.0251 2774SOL H123425 5.649 2.867 7.260 -0.6975 2.2802 -0.6530 2774SOL H223426 5.737 2.797 7.159 -0.5272 -0.3645 1.2363 2775SOL OH223427 3.336 3.116 0.554 0.6775 -0.1091 -0.1165 2775SOL H123428 3.250 3.108 0.513 -0.2245 1.7119 1.2598 2775SOL H223429 3.374 3.029 0.547 -1.8373 -1.3517 0.4119 2776SOL OH223430 1.600 0.454 8.016 0.1014 -0.4164 -0.0857 2776SOL H123431 1.557 0.440 7.932 -0.8631 -1.6931 0.5803 2776SOL H223432 1.528 0.453 8.080 0.6062 2.1494 0.6545 2777SOL OH223433 5.658 2.694 7.857 0.2785 0.2229 -0.0403 2777SOL H123434 5.650 2.640 7.778 -2.6180 -1.2188 1.1072 2777SOL H223435 5.695 2.636 7.923 0.8649 0.8580 0.2092 2778SOL OH223436 1.780 0.984 7.467 0.4732 -0.2907 -0.4005 2778SOL H123437 1.702 1.006 7.416 -0.8856 -3.0574 0.2699 2778SOL H223438 1.804 0.896 7.437 2.0192 -0.3692 0.9479 2779SOL OH223439 2.835 4.713 1.887 0.3815 0.2258 0.1733 2779SOL H123440 2.846 4.730 1.793 -1.6204 3.0364 0.3070 2779SOL H223441 2.750 4.670 1.894 0.7069 -0.3526 0.7073 2780SOL OH223442 0.447 2.135 1.273 0.4689 0.3735 0.7122 2780SOL H123443 0.418 2.209 1.326 -0.4683 -0.0017 0.7375 2780SOL H223444 0.541 2.129 1.290 0.1685 0.1783 2.4235 2781SOL OH223445 3.677 3.995 7.316 -0.8939 -0.5892 -0.5117 2781SOL H123446 3.589 3.958 7.319 -1.6601 1.0704 -1.2621 2781SOL H223447 3.675 4.056 7.242 0.9224 -0.5901 -0.6051 2782SOL OH223448 2.330 3.505 1.421 -0.5777 0.0692 -0.0822 2782SOL H123449 2.268 3.500 1.493 0.8163 0.8711 1.2517 2782SOL H223450 2.401 3.446 1.447 0.0830 0.6066 -0.6304 2783SOL OH223451 0.376 0.326 5.950 0.4817 0.0090 0.2538 2783SOL H123452 0.403 0.313 6.041 2.8580 0.1717 -0.3702 2783SOL H223453 0.322 0.249 5.931 -2.2872 1.2019 2.4913 2784SOL OH223454 3.925 0.634 0.531 -0.5002 -0.0241 0.2920 2784SOL H123455 3.831 0.649 0.541 -0.2733 0.6211 1.7913 2784SOL H223456 3.936 0.540 0.542 -0.9217 -0.0349 0.6522 2785SOL OH223457 0.712 0.688 8.167 0.3758 -0.1546 0.5681 2785SOL H123458 0.727 0.752 8.237 1.6055 -1.4422 1.5315 2785SOL H223459 0.668 0.615 8.210 -2.0606 0.4203 -0.7467 2786SOL OH223460 1.132 0.292 6.318 0.8337 0.3744 -0.3393 2786SOL H123461 1.107 0.232 6.247 1.2392 -0.6611 0.3762 2786SOL H223462 1.082 0.263 6.393 1.9304 0.1696 0.3336 2787SOL OH223463 4.265 5.685 6.562 0.4822 -0.2053 0.5437 2787SOL H123464 4.222 5.694 6.647 -0.5986 0.8287 -0.0626 2787SOL H223465 4.300 5.773 6.544 0.7281 -0.4227 -0.0590 2788SOL OH223466 1.044 0.845 1.235 -1.4976 -1.0673 0.5905 2788SOL H123467 1.033 0.820 1.326 -2.8238 0.3522 0.8633 2788SOL H223468 1.078 0.935 1.238 -2.0313 -0.8181 -0.2868 2789SOL OH223469 5.659 2.165 8.061 0.4701 0.2494 -0.2385 2789SOL H123470 5.632 2.241 8.011 0.0413 -0.6218 -1.3804 2789SOL H223471 5.629 2.090 8.009 0.4917 -0.6962 1.0593 2790SOL OH223472 0.638 5.455 7.176 -0.6788 0.5048 -0.3726 2790SOL H123473 0.730 5.473 7.153 -1.2390 1.4881 -2.0571 2790SOL H223474 0.641 5.372 7.224 1.3760 1.8856 2.1499 2791SOL OH223475 2.998 0.613 7.360 -0.3143 -0.1801 -0.3351 2791SOL H123476 2.992 0.658 7.276 2.4360 3.4482 1.1557 2791SOL H223477 2.956 0.673 7.422 -2.4471 -2.8408 1.0073 2792SOL OH223478 0.059 6.100 0.540 -0.3521 0.6852 0.1150 2792SOL H123479 0.126 6.060 0.596 1.5608 0.1686 -2.3456 2792SOL H223480 -0.014 6.038 0.541 1.6138 -1.9141 -1.7325 2793SOL OH223481 4.448 5.732 8.139 0.0910 -0.1731 -0.2926 2793SOL H123482 4.417 5.666 8.201 -0.6108 0.2100 -0.2250 2793SOL H223483 4.522 5.691 8.094 -0.4181 -1.0429 -0.3406 2794SOL OH223484 2.868 3.608 1.148 -0.4266 0.3966 -0.3540 2794SOL H123485 2.833 3.569 1.068 -0.7334 0.4263 -0.2376 2794SOL H223486 2.905 3.692 1.119 -2.1764 1.2670 -0.1942 2795SOL OH223487 2.183 2.436 7.869 0.5621 0.1069 0.4356 2795SOL H123488 2.186 2.373 7.941 -2.5563 -0.8219 -0.0744 2795SOL H223489 2.226 2.514 7.903 1.1515 -1.0372 2.4929 2796SOL OH223490 1.643 2.691 1.055 0.0875 -0.6628 -1.0182 2796SOL H123491 1.601 2.734 1.130 -2.6192 -1.5076 -1.9234 2796SOL H223492 1.736 2.709 1.066 -0.5626 2.6783 0.3451 2797SOL OH223493 1.355 1.314 1.392 -0.5775 -0.6722 -0.1480 2797SOL H123494 1.407 1.383 1.432 0.2794 -1.6328 0.4459 2797SOL H223495 1.268 1.324 1.431 -0.9076 1.0089 -1.2315 2798SOL OH223496 0.180 1.082 7.302 -0.2922 -0.1874 -0.3099 2798SOL H123497 0.101 1.062 7.353 -0.4949 0.4006 -0.3874 2798SOL H223498 0.242 1.013 7.327 -0.1065 0.5363 1.3686 2799SOL OH223499 5.446 2.641 2.174 -0.5326 -0.4515 0.4388 2799SOL H123500 5.508 2.705 2.139 1.3836 -2.2702 0.2678 2799SOL H223501 5.378 2.635 2.107 -1.4433 2.2158 1.0191 2800SOL OH223502 4.041 2.216 1.295 0.0505 -0.3087 -0.0945 2800SOL H123503 3.952 2.241 1.268 -0.2401 0.3007 1.2871 2800SOL H223504 4.077 2.296 1.334 0.7886 -0.8492 0.3535 2801SOL OH223505 2.464 2.659 0.984 -0.1801 -0.2205 -0.0574 2801SOL H123506 2.534 2.721 1.004 0.0327 -0.1653 -0.9035 2801SOL H223507 2.398 2.711 0.938 0.2183 -0.6892 -1.2150 2802SOL OH223508 0.009 2.621 1.953 0.2089 -0.2901 -0.1400 2802SOL H123509 -0.023 2.627 1.863 0.6946 -3.8795 -0.7158 2802SOL H223510 0.100 2.651 1.948 0.1542 -0.2102 -0.7914 2803SOL OH223511 5.908 4.905 1.185 -0.1498 -0.2467 0.6765 2803SOL H123512 5.915 4.934 1.276 0.1788 2.4229 -0.1236 2803SOL H223513 5.992 4.861 1.168 0.0510 -0.1931 1.4857 2804SOL OH223514 1.107 2.009 8.258 0.4966 -0.3975 -1.0968 2804SOL H123515 1.180 2.051 8.304 1.0757 -0.9995 -1.4501 2804SOL H223516 1.126 2.023 8.165 0.7676 -1.5309 -1.2266 2805SOL OH223517 0.299 5.436 0.951 0.0852 -0.1039 0.4744 2805SOL H123518 0.306 5.394 1.037 -0.4617 1.3288 1.2573 2805SOL H223519 0.264 5.368 0.894 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-0.1007 2841SOL OH223625 4.410 3.899 6.582 -0.5286 -0.0246 -0.5214 2841SOL H123626 4.366 3.896 6.497 -0.6445 -0.0374 -0.4613 2841SOL H223627 4.344 3.868 6.644 -0.0844 -1.1023 -0.5722 2842SOL OH223628 1.336 4.259 1.455 0.1668 0.7218 0.3720 2842SOL H123629 1.260 4.237 1.509 2.1210 0.2243 3.1396 2842SOL H223630 1.363 4.346 1.485 -1.4262 2.6681 -3.2844 2843SOL OH223631 3.391 3.984 6.743 0.1003 -0.1353 0.6350 2843SOL H123632 3.466 4.043 6.748 0.4955 -0.6823 1.2336 2843SOL H223633 3.338 4.005 6.820 -1.1970 1.3261 -0.5751 2844SOL OH223634 1.285 5.140 7.881 0.1426 -0.2035 0.3141 2844SOL H123635 1.281 5.103 7.969 0.1657 -0.1864 0.3227 2844SOL H223636 1.198 5.127 7.844 -0.0264 0.2757 0.5376 2845SOL OH223637 3.902 0.089 7.866 -0.0176 0.7455 -0.4930 2845SOL H123638 3.986 0.081 7.911 0.3926 0.7590 -1.2348 2845SOL H223639 3.838 0.101 7.936 0.4637 -0.2658 0.1397 2846SOL OH223640 4.973 4.610 6.305 -0.2495 -1.1935 0.1138 2846SOL H123641 4.883 4.611 6.274 -0.2566 -1.5979 0.1091 2846SOL H223642 5.012 4.689 6.269 -0.4503 -1.3023 -0.3517 2847SOL OH223643 3.728 3.761 0.733 -0.2840 0.9377 -0.6653 2847SOL H123644 3.760 3.817 0.662 -2.1100 1.9157 -0.7889 2847SOL H223645 3.663 3.704 0.692 -0.3761 0.5751 -0.0293 2848SOL OH223646 3.822 1.522 6.869 -0.0708 -0.3198 0.0399 2848SOL H123647 3.813 1.613 6.840 -0.5584 -0.5111 -0.4211 2848SOL H223648 3.916 1.505 6.863 0.5621 1.1990 3.3975 2849SOL OH223649 0.866 2.898 1.452 0.0414 1.6393 -0.6100 2849SOL H123650 0.961 2.896 1.438 -0.0816 2.1891 -1.6882 2849SOL H223651 0.831 2.840 1.384 -0.3466 0.5265 0.5044 2850SOL OH223652 4.074 5.177 6.566 0.5536 0.4298 -0.4694 2850SOL H123653 4.100 5.269 6.566 0.4033 0.6118 -3.8982 2850SOL H223654 4.154 5.130 6.543 0.7732 -0.4481 1.8131 2851SOL OH223655 3.861 0.409 7.514 0.8433 -0.4733 -0.0225 2851SOL H123656 3.894 0.499 7.507 -0.8381 0.0999 -1.4111 2851SOL H223657 3.903 0.362 7.442 1.8597 -0.8892 0.8099 2852SOL OH223658 5.366 5.875 1.238 0.2726 -0.2845 0.0185 2852SOL H123659 5.392 5.783 1.235 1.1544 -0.0368 -2.9256 2852SOL H223660 5.282 5.877 1.192 -0.0419 0.3327 0.5953 2853SOL OH223661 1.368 2.138 8.291 0.0571 -0.2805 -0.5695 2853SOL H123662 1.350 2.229 8.266 0.4666 0.2461 0.9634 2853SOL H223663 1.396 2.097 8.209 -1.4222 0.6161 -1.5673 2854SOL OH223664 4.179 3.974 7.659 0.0434 0.2659 -0.1360 2854SOL H123665 4.106 4.016 7.615 -0.5821 1.9853 2.3492 2854SOL H223666 4.255 4.027 7.635 0.1275 -0.1616 -0.8744 2855SOL OH223667 4.913 0.204 0.665 -0.3416 -0.6901 0.0235 2855SOL H123668 4.961 0.130 0.702 -0.3124 -0.8859 -0.4071 2855SOL H223669 4.979 0.254 0.617 -0.1390 0.2090 1.2037 2856SOL OH223670 1.286 5.381 6.725 -0.2090 0.2498 -0.0213 2856SOL H123671 1.364 5.343 6.687 -1.0075 -1.0413 -0.4293 2856SOL H223672 1.283 5.470 6.691 1.6418 0.6978 0.8625 2857SOL OH223673 3.751 4.930 7.556 0.2718 0.3619 0.4266 2857SOL H123674 3.731 4.920 7.649 1.0529 -0.9435 0.4823 2857SOL H223675 3.824 4.992 7.555 -1.0491 1.9753 0.5064 2858SOL OH223676 3.367 4.247 7.243 -0.5557 -1.1818 -0.5330 2858SOL H123677 3.338 4.211 7.327 -2.3515 0.7634 -0.2463 2858SOL H223678 3.354 4.342 7.251 2.4104 -0.5405 -1.8306 2859SOL OH223679 1.709 4.273 7.295 0.8861 -0.2678 0.0482 2859SOL H123680 1.693 4.212 7.368 0.6294 1.6570 1.6893 2859SOL H223681 1.745 4.218 7.225 3.5895 -1.8776 2.4633 2860SOL OH223682 4.486 5.173 6.862 0.5591 0.0194 0.3789 2860SOL H123683 4.435 5.095 6.884 -0.0410 0.1655 -0.4677 2860SOL H223684 4.545 5.184 6.937 0.2425 -0.8966 0.7819 2861SOL OH223685 2.315 0.395 7.057 0.0650 -0.2074 0.3287 2861SOL H123686 2.282 0.428 7.140 0.0758 1.6693 -0.3826 2861SOL H223687 2.405 0.366 7.077 -0.1912 -0.4831 1.1196 2862SOL OH223688 4.185 3.796 0.863 -0.1487 0.5309 -0.2129 2862SOL H123689 4.182 3.749 0.780 1.0536 0.6952 -0.3736 2862SOL H223690 4.094 3.819 0.881 -0.4807 0.1118 -1.2635 2863SOL OH223691 3.721 2.103 7.395 0.1101 0.1808 0.3308 2863SOL H123692 3.760 2.065 7.317 0.0274 -0.4133 0.5734 2863SOL H223693 3.659 2.168 7.362 0.2620 0.1148 -0.0874 2864SOL OH223694 2.472 5.542 1.024 0.2788 0.8135 -0.0610 2864SOL H123695 2.398 5.501 1.068 0.4458 -2.0795 -2.2334 2864SOL H223696 2.436 5.622 0.985 -1.6740 -0.3727 -0.8026 2865SOL OH223697 4.001 5.254 1.060 -0.0719 0.0239 0.3892 2865SOL H123698 3.998 5.282 1.151 0.4928 -0.4512 0.5584 2865SOL H223699 4.092 5.267 1.033 0.4024 -2.2338 0.6766 2866SOL OH223700 5.180 2.219 6.318 0.1214 0.7134 0.0800 2866SOL H123701 5.092 2.220 6.280 0.8197 -1.0290 -1.7729 2866SOL H223702 5.208 2.128 6.309 2.8471 1.5819 -1.1897 2867SOL OH223703 4.872 1.226 6.351 -0.3061 0.2938 -0.7686 2867SOL H123704 4.830 1.312 6.350 -0.8202 0.1570 1.6026 2867SOL H223705 4.896 1.210 6.260 -2.8409 1.6562 -1.8073 2868SOL OH223706 3.355 4.173 0.736 0.0646 -0.4890 0.1239 2868SOL H123707 3.410 4.095 0.730 1.7455 0.7456 -1.2939 2868SOL H223708 3.284 4.158 0.673 2.2349 0.4665 -2.7420 2869SOL OH223709 2.904 5.171 8.454 -0.4311 0.0034 0.6028 2869SOL H123710 2.996 5.161 8.429 -0.4628 2.8144 -1.1296 2869SOL H223711 2.897 5.126 8.539 2.3859 -0.7573 0.5370 2870SOL OH223712 1.683 3.125 0.396 -0.4804 -0.1041 -0.3020 2870SOL H123713 1.701 3.191 0.463 0.8751 1.3260 -1.9843 2870SOL H223714 1.677 3.042 0.444 2.0231 0.6218 1.4441 2871SOL OH223715 0.037 2.013 7.233 -0.1704 -0.5343 -0.2920 2871SOL H123716 -0.048 2.057 7.239 -0.7178 -1.5467 -0.4953 2871SOL H223717 0.060 2.018 7.140 1.0162 1.5703 0.0356 2872SOL OH223718 1.027 0.649 1.019 0.5494 0.4234 -0.1685 2872SOL H123719 1.095 0.581 1.022 -0.5528 -0.6851 0.5669 2872SOL H223720 1.066 0.724 1.064 1.3393 -0.1605 0.1483 2873SOL OH223721 0.929 4.970 0.556 -0.7811 -0.2172 -0.2628 2873SOL H123722 0.857 4.942 0.499 -0.3669 -1.2205 -0.3134 2873SOL H223723 0.944 4.895 0.614 -1.3073 0.8336 1.2991 2874SOL OH223724 3.087 1.378 0.838 -0.8094 -0.4110 0.3883 2874SOL H123725 3.180 1.400 0.832 -0.8967 -0.1674 -0.1082 2874SOL H223726 3.062 1.352 0.749 -1.4622 0.5306 0.2813 2875SOL OH223727 5.259 2.549 6.657 0.0868 0.1636 -0.1993 2875SOL H123728 5.275 2.623 6.716 -2.1933 -0.9184 1.9862 2875SOL H223729 5.190 2.580 6.598 0.0453 0.2060 -0.1289 2876SOL OH223730 4.323 1.289 2.103 0.2889 -0.2044 -0.0115 2876SOL H123731 4.332 1.384 2.111 1.2853 -0.3658 1.2263 2876SOL H223732 4.381 1.254 2.171 1.1402 -1.7389 -1.4480 2877SOL OH223733 4.299 5.235 7.688 0.3971 0.4020 0.0311 2877SOL H123734 4.282 5.270 7.776 0.4405 -1.5212 0.8686 2877SOL H223735 4.212 5.216 7.653 0.4160 0.1254 0.1290 2878SOL OH223736 5.539 3.867 8.439 1.3392 -0.9267 -0.0501 2878SOL H123737 5.554 3.892 8.530 1.0858 0.3206 -0.3304 2878SOL H223738 5.625 3.873 8.397 1.2656 -0.4284 -0.1333 2879SOL OH223739 0.523 4.630 6.992 0.1457 0.4468 0.1374 2879SOL H123740 0.603 4.619 6.942 0.8094 -1.6193 1.5370 2879SOL H223741 0.465 4.561 6.961 -0.2391 0.5168 0.6770 2880SOL OH223742 5.141 3.148 1.942 -0.2350 -0.2027 -0.1181 2880SOL H123743 5.180 3.178 2.025 0.7223 2.3257 -1.3737 2880SOL H223744 5.216 3.131 1.885 -0.8933 -1.7278 -0.5588 2881SOL OH223745 0.891 4.594 0.513 0.8826 0.0487 0.1041 2881SOL H123746 0.904 4.503 0.485 0.7100 -0.2611 1.0028 2881SOL H223747 0.935 4.600 0.598 0.1427 0.5565 0.4685 2882SOL OH223748 2.454 2.005 6.870 0.2364 -0.5873 -0.0814 2882SOL H123749 2.430 1.952 6.946 -0.5846 0.0731 0.1272 2882SOL H223750 2.550 2.011 6.875 0.2847 -1.4197 0.3051 2883SOL OH223751 3.504 5.946 8.286 -0.1647 -0.1530 -0.0026 2883SOL H123752 3.482 5.890 8.212 -0.5383 -2.1888 1.5722 2883SOL H223753 3.450 5.913 8.358 0.7482 1.2585 1.3985 2884SOL OH223754 1.470 4.239 0.754 0.5504 0.0938 0.1730 2884SOL H123755 1.537 4.307 0.762 0.2806 0.2659 1.1733 2884SOL H223756 1.389 4.287 0.738 0.0738 0.1843 2.4593 2885SOL OH223757 4.579 0.124 1.337 0.1775 -0.2751 -0.2085 2885SOL H123758 4.633 0.046 1.325 -1.6340 -1.5443 -0.4681 2885SOL H223759 4.554 0.149 1.248 -0.5145 -0.3285 -0.0310 2886SOL OH223760 0.812 4.501 1.445 -0.1860 0.4209 -0.2691 2886SOL H123761 0.772 4.430 1.495 0.8766 0.7513 1.0932 2886SOL H223762 0.837 4.460 1.362 1.4780 -1.1546 0.9191 2887SOL OH223763 5.714 3.131 6.093 0.8602 0.1405 0.5229 2887SOL H123764 5.626 3.164 6.111 1.1211 0.7386 0.7650 2887SOL H223765 5.701 3.049 6.045 0.1633 1.4300 -1.6444 2888SOL OH223766 5.859 3.752 2.252 0.3060 -0.5360 -0.1034 2888SOL H123767 5.916 3.829 2.258 -0.4100 -0.1126 3.7997 2888SOL H223768 5.918 3.678 2.267 0.6670 -0.6583 -1.8928 2889SOL OH223769 0.109 2.026 1.376 0.1667 0.6267 -0.2801 2889SOL H123770 0.181 2.061 1.429 -0.5301 0.6078 0.7164 2889SOL H223771 0.152 1.987 1.299 1.1393 1.4053 -0.1485 2890SOL OH223772 0.554 0.015 1.409 0.3581 0.2767 0.2646 2890SOL H123773 0.466 0.027 1.372 0.2386 0.0359 0.4653 2890SOL H223774 0.605 -0.021 1.337 0.4626 1.0290 -0.0456 2891SOL OH223775 1.308 4.445 0.382 0.1825 -0.3587 0.0147 2891SOL H123776 1.328 4.375 0.320 -1.0492 -0.1640 -0.6163 2891SOL H223777 1.394 4.480 0.406 0.7141 -0.8716 -1.0705 2892SOL OH223778 3.271 4.641 7.811 -0.0930 0.4602 0.3611 2892SOL H123779 3.300 4.653 7.720 0.4738 -0.0454 0.4664 2892SOL H223780 3.279 4.547 7.826 -0.9224 0.4401 0.6995 2893SOL OH223781 5.561 2.978 0.807 -0.1722 0.1090 -0.0986 2893SOL H123782 5.487 2.920 0.824 -0.8329 1.0219 0.2405 2893SOL H223783 5.628 2.951 0.870 -0.6654 0.0518 0.4139 2894SOL OH223784 1.374 3.511 0.712 -0.1659 0.3251 -0.1379 2894SOL H123785 1.296 3.556 0.679 -0.5639 -0.5794 -0.4766 2894SOL H223786 1.442 3.529 0.647 0.1631 1.7973 0.5715 2895SOL OH223787 3.630 5.566 0.621 0.3621 0.0873 0.3074 2895SOL H123788 3.714 5.526 0.643 0.2856 0.3332 1.0876 2895SOL H223789 3.577 5.557 0.700 -0.3006 0.0656 -0.1278 2896SOL OH223790 1.114 5.003 1.599 0.4066 0.0027 -0.2015 2896SOL H123791 1.040 4.961 1.554 1.1470 0.4018 -1.8831 2896SOL H223792 1.183 4.938 1.598 -0.1759 -0.7502 2.2944 2897SOL OH223793 4.079 2.856 7.818 -0.0169 0.0141 -0.7026 2897SOL H123794 4.159 2.838 7.868 -0.1389 0.6033 -0.2859 2897SOL H223795 4.108 2.916 7.749 -0.0095 -0.1381 -0.8316 2898SOL OH223796 3.398 3.110 6.951 -0.4130 0.4125 -0.1709 2898SOL H123797 3.360 3.113 6.863 2.5384 -0.7873 -1.6301 2898SOL H223798 3.481 3.156 6.942 2.0717 -3.4723 0.7039 2899SOL OH223799 0.112 2.169 7.822 -0.3252 -0.6745 0.8554 2899SOL H123800 0.070 2.207 7.745 -0.8020 1.5511 2.1285 2899SOL H223801 0.077 2.220 7.896 2.6631 -0.3976 2.2141 2900SOL OH223802 5.224 4.775 8.416 -0.2315 0.4618 -0.2889 2900SOL H123803 5.158 4.740 8.355 -1.3073 1.2974 0.3431 2900SOL H223804 5.241 4.864 8.384 0.2323 0.4224 -0.1550 2901SOL OH223805 1.359 1.427 2.499 0.1175 0.0644 -0.6074 2901SOL H123806 1.363 1.518 2.527 0.1414 0.3796 -1.5818 2901SOL H223807 1.447 1.408 2.465 0.3423 -0.5684 0.2860 2902SOL OH223808 3.090 4.239 0.326 -0.5331 0.1906 -0.1263 2902SOL H123809 3.096 4.329 0.357 -1.7174 -0.1041 1.0824 2902SOL H223810 3.096 4.186 0.406 -1.9317 -0.6991 -0.5748 2903SOL OH223811 5.251 3.066 0.904 -0.4192 -0.1383 -0.0120 2903SOL H123812 5.173 3.115 0.929 0.9002 2.1427 -0.0847 2903SOL H223813 5.288 3.115 0.830 1.1299 -1.0853 0.0807 2904SOL OH223814 5.746 2.203 1.789 0.8891 -0.1537 0.8732 2904SOL H123815 5.675 2.225 1.849 1.4616 1.1048 1.1252 2904SOL H223816 5.800 2.140 1.838 0.5593 -0.2580 1.1044 2905SOL OH223817 1.622 2.745 1.995 -0.3287 -0.4029 0.0325 2905SOL H123818 1.571 2.816 2.034 -1.1500 -0.3621 -1.0836 2905SOL H223819 1.666 2.703 2.070 -0.9431 0.3943 0.8550 2906SOL OH223820 4.693 3.643 6.930 0.5220 0.2252 0.2429 2906SOL H123821 4.696 3.710 6.862 -0.7429 0.2063 0.1469 2906SOL H223822 4.609 3.655 6.972 2.3139 2.0355 3.7164 2907SOL OH223823 1.025 1.568 1.636 -0.0712 0.0131 0.3207 2907SOL H123824 0.976 1.500 1.682 0.5980 -1.5170 -1.1135 2907SOL H223825 1.116 1.554 1.662 0.5195 -1.7030 -2.2253 2908SOL OH223826 0.820 2.177 8.088 0.3180 -0.2683 -0.8685 2908SOL H123827 0.883 2.129 8.141 0.6325 -0.1036 -1.0921 2908SOL H223828 0.796 2.252 8.142 2.0038 0.8990 -1.6475 2909SOL OH223829 3.593 2.268 8.420 0.4460 0.5201 -0.1859 2909SOL H123830 3.548 2.242 8.339 1.6107 0.7993 -0.9477 2909SOL H223831 3.603 2.363 8.413 -1.2396 0.8523 1.2593 2910SOL OH223832 3.871 0.987 7.650 0.0316 0.0572 -0.0368 2910SOL H123833 3.815 1.064 7.661 -1.1354 -0.3561 -2.4276 2910SOL H223834 3.901 0.992 7.560 -1.9190 -3.3684 -1.0690 2911SOL OH223835 3.290 2.655 0.178 -0.3968 -0.1875 0.1445 2911SOL H123836 3.314 2.588 0.115 0.3292 0.9013 -0.7884 2911SOL H223837 3.246 2.608 0.249 -0.5444 -1.5317 -0.8139 2912SOL OH223838 5.561 2.688 6.033 -0.3965 0.3867 0.8304 2912SOL H123839 5.479 2.643 6.014 -0.4844 0.7003 0.4400 2912SOL H223840 5.616 2.622 6.073 -0.2235 -0.3001 -0.4886 2913SOL OH223841 4.484 1.441 0.462 0.0445 0.1460 -0.1415 2913SOL H123842 4.451 1.415 0.376 -1.8063 -0.2176 0.6283 2913SOL H223843 4.457 1.370 0.520 0.3772 0.8637 0.9087 2914SOL OH223844 3.209 2.696 1.025 -0.3555 -0.1540 -0.6603 2914SOL H123845 3.197 2.608 1.061 0.1146 -0.2893 -0.8167 2914SOL H223846 3.226 2.751 1.101 2.5872 -0.7732 -0.7340 2915SOL OH223847 4.400 4.104 5.876 0.2203 -0.3149 -0.7274 2915SOL H123848 4.384 4.198 5.869 1.5082 -0.1922 -2.6794 2915SOL H223849 4.312 4.065 5.875 -0.3369 0.8370 0.3027 2916SOL OH223850 4.609 2.215 1.385 0.0853 0.4470 0.5117 2916SOL H123851 4.574 2.227 1.297 1.8643 -0.1613 -0.3296 2916SOL H223852 4.587 2.124 1.407 -2.2756 1.2135 1.6603 2917SOL OH223853 2.723 0.244 7.851 0.1445 0.4154 0.7976 2917SOL H123854 2.685 0.331 7.866 -3.0161 -0.5961 -0.3294 2917SOL H223855 2.702 0.225 7.760 2.5466 -0.7910 0.4233 2918SOL OH223856 5.701 5.805 1.699 0.4596 -0.0698 -0.1672 2918SOL H123857 5.746 5.773 1.778 -0.4739 -1.7203 -0.2589 2918SOL H223858 5.743 5.758 1.627 -0.9546 -1.1859 -0.3050 2919SOL OH223859 5.624 3.944 6.286 0.0177 0.5665 -0.5318 2919SOL H123860 5.601 3.856 6.256 -0.9590 -0.0439 1.7879 2919SOL H223861 5.710 3.935 6.326 -1.2472 -0.0889 2.2917 2920SOL OH223862 3.705 4.219 7.523 -0.1741 -0.5821 0.1508 2920SOL H123863 3.611 4.230 7.542 0.0830 0.9612 0.7039 2920SOL H223864 3.709 4.143 7.465 -1.8713 -0.1030 -0.6718 2921SOL OH223865 1.378 2.654 6.510 0.0558 -0.2678 0.0940 2921SOL H123866 1.346 2.673 6.599 0.2076 -1.5272 0.4418 2921SOL H223867 1.305 2.608 6.468 -0.2022 0.7521 -0.6330 2922SOL OH223868 0.695 3.077 7.069 0.5075 -0.1054 0.0467 2922SOL H123869 0.632 3.071 7.140 0.9325 -2.0265 0.3101 2922SOL H223870 0.658 3.143 7.009 -1.0621 -0.2411 0.8247 2923SOL OH223871 0.575 0.254 2.120 1.0224 0.1098 -0.7722 2923SOL H123872 0.550 0.182 2.177 4.3474 -1.5913 -1.2011 2923SOL H223873 0.587 0.328 2.180 2.0447 -0.9666 0.4206 2924SOL OH223874 2.719 1.835 6.656 -0.6805 -0.1119 0.4100 2924SOL H123875 2.706 1.884 6.737 2.8606 -0.5208 1.3977 2924SOL H223876 2.705 1.744 6.681 -2.9633 -0.0291 -0.3658 2925SOL OH223877 1.764 0.203 7.651 0.4320 0.1592 0.0311 2925SOL H123878 1.823 0.156 7.591 0.5613 -0.5395 0.6922 2925SOL H223879 1.680 0.203 7.606 -0.1849 -2.7775 0.9639 2926SOL OH223880 4.633 1.113 0.278 -0.6094 -0.3235 0.5262 2926SOL H123881 4.635 1.161 0.195 3.0902 -0.2421 0.4941 2926SOL H223882 4.620 1.022 0.253 1.2787 -0.4129 -0.3365 2927SOL OH223883 3.444 1.451 8.014 0.3789 0.0131 -0.4165 2927SOL H123884 3.409 1.378 8.064 -0.8963 -0.5327 -2.0090 2927SOL H223885 3.376 1.518 8.019 -0.8012 -0.8516 -3.0933 2928SOL OH223886 1.850 1.769 2.430 0.3477 0.1501 0.5940 2928SOL H123887 1.939 1.734 2.440 -0.0360 -0.5786 1.7054 2928SOL H223888 1.843 1.838 2.496 -0.3357 -0.7414 1.4983 2929SOL OH223889 5.658 3.515 8.424 -0.1814 1.1408 -0.4263 2929SOL H123890 5.577 3.473 8.395 0.0621 0.8133 -0.6344 2929SOL H223891 5.723 3.489 8.359 -0.0392 1.8934 -0.5942 2930SOL OH223892 0.374 2.516 1.530 -0.1011 -0.1191 -0.2837 2930SOL H123893 0.407 2.542 1.445 0.1952 0.0261 -0.1248 2930SOL H223894 0.396 2.423 1.538 0.1822 -0.0456 -0.2176 2931SOL OH223895 4.846 4.993 0.578 0.6093 -0.0604 0.1517 2931SOL H123896 4.861 4.941 0.657 0.8751 0.0102 0.1466 2931SOL H223897 4.857 5.084 0.605 0.3582 -0.0176 0.1108 2932SOL OH223898 0.912 0.891 8.198 -0.2030 0.2759 0.2910 2932SOL H123899 0.947 0.915 8.283 -1.0304 1.7484 0.2552 2932SOL H223900 0.989 0.867 8.146 0.7831 3.0035 0.3294 2933SOL OH223901 2.629 2.301 1.356 -0.1189 -0.0673 0.4697 2933SOL H123902 2.648 2.219 1.402 1.2877 0.0565 0.1556 2933SOL H223903 2.565 2.346 1.412 -0.1069 -0.9137 1.1776 2934SOL OH223904 4.881 4.334 0.296 0.0590 -0.0729 -0.0281 2934SOL H123905 4.875 4.430 0.300 -0.5607 -0.1189 0.0972 2934SOL H223906 4.905 4.308 0.385 -2.3148 -0.2152 0.6327 2935SOL OH223907 2.270 1.181 2.101 0.9186 0.2335 -0.0637 2935SOL H123908 2.191 1.169 2.153 0.0593 -0.1620 -1.4059 2935SOL H223909 2.247 1.149 2.014 2.3934 0.6135 -0.6350 2936SOL OH223910 4.743 4.347 1.322 0.1961 -0.4665 0.1022 2936SOL H123911 4.749 4.442 1.324 -1.6539 -0.1805 -2.4346 2936SOL H223912 4.807 4.320 1.256 -0.9932 -0.6720 -1.0198 2937SOL OH223913 4.781 1.844 7.998 0.1079 -0.1942 0.3970 2937SOL H123914 4.701 1.892 8.020 0.5082 0.3726 0.6130 2937SOL H223915 4.851 1.889 8.046 0.6245 -0.4226 -0.1314 2938SOL OH223916 3.531 3.697 0.171 0.0626 0.7160 -0.1252 2938SOL H123917 3.469 3.728 0.237 3.3641 1.7064 2.7753 2938SOL H223918 3.614 3.690 0.217 1.5329 -4.1135 -2.7937 2939SOL OH223919 2.649 5.863 8.092 0.0540 -0.3967 0.2486 2939SOL H123920 2.626 5.878 8.000 0.0049 -1.0899 0.1456 2939SOL H223921 2.724 5.805 8.089 0.9580 0.7104 0.6210 2940SOL OH223922 2.668 1.155 0.281 -0.7399 0.1672 0.2557 2940SOL H123923 2.626 1.107 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H123941 0.374 1.773 7.188 -1.9957 -1.2268 -2.8890 2946SOL H223942 0.486 1.760 7.087 2.4591 2.2204 1.1238 2947SOL OH223943 2.659 4.873 1.722 -0.4598 -0.4280 0.2405 2947SOL H123944 2.745 4.843 1.692 -0.6874 -0.4709 -0.3890 2947SOL H223945 2.676 4.958 1.762 -0.2578 0.0394 -0.7982 2948SOL OH223946 4.464 1.484 1.857 -0.7092 0.0046 0.0092 2948SOL H123947 4.522 1.547 1.813 0.2171 -0.0844 1.0486 2948SOL H223948 4.445 1.525 1.941 -0.4039 -0.9207 0.5410 2949SOL OH223949 2.948 0.373 8.089 -0.2082 -0.2400 0.6215 2949SOL H123950 2.875 0.398 8.032 -0.8955 0.0525 1.6033 2949SOL H223951 3.025 0.376 8.032 -0.9817 -0.7706 -0.5005 2950SOL OH223952 5.409 3.210 0.494 -0.1220 0.3530 0.1226 2950SOL H123953 5.469 3.279 0.464 -2.1107 3.0424 1.9041 2950SOL H223954 5.376 3.171 0.413 1.2939 1.2411 -0.9440 2951SOL OH223955 2.275 3.203 1.750 -0.3637 -0.6619 -0.1913 2951SOL H123956 2.322 3.270 1.798 0.9191 0.5371 -2.8928 2951SOL H223957 2.183 3.231 1.754 0.1022 1.1720 -0.9757 2952SOL OH223958 3.718 0.469 7.837 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0.0022 3473SOL H125522 0.364 0.662 8.397 0.8928 -0.0817 -1.0493 3473SOL H225523 0.235 0.587 8.371 0.2252 0.2981 1.0009 3474SOL OH225524 3.159 4.756 6.431 -0.0959 0.1813 0.7419 3474SOL H125525 3.129 4.733 6.343 0.4783 1.8113 0.0809 3474SOL H225526 3.087 4.730 6.488 -0.3814 -1.1447 -0.1548 3475SOL OH225527 5.173 1.871 7.035 -0.6732 -0.6196 0.8538 3475SOL H125528 5.130 1.788 7.053 0.1910 -0.9629 1.3637 3475SOL H225529 5.249 1.873 7.093 1.4119 -1.1275 -1.6578 3476SOL OH225530 2.608 5.563 8.010 0.5154 -0.3402 0.0690 3476SOL H125531 2.534 5.624 8.014 -0.1003 -1.1205 1.4834 3476SOL H225532 2.621 5.535 8.101 2.6866 -0.1013 -0.1210 3477SOL OH225533 4.626 4.121 0.615 0.2502 -0.2210 -0.0705 3477SOL H125534 4.597 4.035 0.646 -1.0612 0.5487 0.9113 3477SOL H225535 4.603 4.123 0.522 -0.4475 -0.6353 0.0883 3478SOL OH225536 2.342 3.865 6.498 0.4801 -0.0343 0.0601 3478SOL H125537 2.418 3.823 6.537 0.3144 -0.7748 -0.4045 3478SOL H225538 2.276 3.796 6.493 0.2688 0.2283 -0.8859 3479SOL OH225539 4.998 2.112 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OH225557 5.764 4.099 2.115 0.0804 0.6849 0.0334 3485SOL H125558 5.718 4.017 2.103 -0.4836 1.2383 -1.9667 3485SOL H225559 5.851 4.074 2.145 0.2156 -0.7274 -1.4087 3486SOL OH225560 4.230 5.753 1.537 0.8608 -0.2236 -0.1383 3486SOL H125561 4.202 5.667 1.570 1.4059 -1.0277 -1.6400 3486SOL H225562 4.153 5.809 1.547 0.1313 -1.1994 -0.1224 3487SOL OH225563 1.488 -0.021 0.409 0.2913 -0.7342 -0.2370 3487SOL H125564 1.422 0.019 0.466 2.4345 1.9914 0.5193 3487SOL H225565 1.509 0.046 0.344 4.5685 -0.0563 1.4986 3488SOL OH225566 1.159 4.170 8.021 0.0574 -0.1633 -0.3813 3488SOL H125567 1.123 4.099 7.968 -0.1191 1.2785 -2.3011 3488SOL H225568 1.249 4.180 7.989 -0.7226 2.1674 -2.0743 3489SOL OH225569 1.405 1.634 1.939 0.4661 -0.4995 -0.3403 3489SOL H125570 1.489 1.613 1.981 -0.0726 0.8185 1.5540 3489SOL H225571 1.392 1.727 1.958 -2.0233 -0.9503 0.5873 3490SOL OH225572 0.526 1.287 7.033 0.4994 0.5908 0.1298 3490SOL H125573 0.518 1.229 7.109 1.5617 0.2410 -0.0111 3490SOL H225574 0.490 1.371 7.063 -0.9194 -0.0751 0.3788 3491SOL OH225575 1.646 1.284 6.808 -0.6389 0.3068 0.9079 3491SOL H125576 1.639 1.333 6.726 0.4230 -0.1228 0.5480 3491SOL H225577 1.624 1.194 6.784 -1.0866 0.3175 1.2607 3492SOL OH225578 0.776 1.994 1.765 0.0526 -0.4184 0.0478 3492SOL H125579 0.687 1.971 1.791 0.3095 -3.0157 -1.0493 3492SOL H225580 0.828 1.916 1.786 1.2702 -0.5674 -2.9617 3493SOL OH225581 1.557 2.699 8.061 0.4917 0.2407 0.6988 3493SOL H125582 1.493 2.737 8.001 0.3745 1.1058 1.3608 3493SOL H225583 1.513 2.623 8.098 0.2793 0.1603 0.2860 3494SOL OH225584 5.829 1.142 1.353 0.2840 -0.6254 0.5466 3494SOL H125585 5.877 1.065 1.385 1.3197 0.2696 1.2144 3494SOL H225586 5.846 1.210 1.418 0.9358 0.7165 -0.9487 3495SOL OH225587 0.093 3.435 1.753 -0.1251 -0.1712 0.3326 3495SOL H125588 0.121 3.459 1.841 0.0659 1.2471 -0.0899 3495SOL H225589 0.155 3.479 1.695 -1.7941 1.1479 -0.5575 3496SOL OH225590 2.837 4.859 0.491 -0.0657 0.0242 0.2882 3496SOL H125591 2.827 4.836 0.584 -0.4237 1.2585 0.5658 3496SOL H225592 2.907 4.924 0.490 -1.1745 1.2385 -0.0968 3497SOL OH225593 4.674 1.442 2.388 -0.0678 -0.4240 0.3278 3497SOL H125594 4.639 1.525 2.422 -0.7880 -0.8131 0.5575 3497SOL H225595 4.685 1.387 2.466 1.4889 -0.1777 0.3247 3498SOL OH225596 1.725 1.357 8.022 0.2310 -0.5279 -0.0197 3498SOL H125597 1.815 1.335 8.001 0.3603 0.7483 -0.9423 3498SOL H225598 1.678 1.346 7.939 -0.6458 -2.0158 0.6482 3499SOL OH225599 2.930 2.857 1.810 0.2838 0.0480 0.6901 3499SOL H125600 2.998 2.839 1.874 1.9331 2.1494 -0.3518 3499SOL H225601 2.925 2.777 1.757 2.0241 -0.1370 0.7481 3500SOL OH225602 0.294 0.143 7.669 -0.0031 0.2794 -0.2457 3500SOL H125603 0.343 0.086 7.610 -0.0633 -0.2989 0.2479 3500SOL H225604 0.283 0.091 7.749 0.5184 1.2268 0.4696 3501SOL OH225605 5.853 0.163 7.858 -0.1080 -0.3973 0.8965 3501SOL H125606 5.829 0.227 7.926 -0.2976 -0.1759 0.6213 3501SOL H225607 5.771 0.122 7.833 -0.2744 0.5718 -0.2534 3502SOL OH225608 2.542 0.482 7.892 -0.0705 -0.2826 -0.0225 3502SOL H125609 2.479 0.528 7.838 -0.1985 -1.3742 -0.8332 3502SOL H225610 2.496 0.403 7.922 1.0249 -1.3638 -1.0580 3503SOL OH225611 1.815 1.550 7.280 0.2133 0.0450 -0.1346 3503SOL H125612 1.831 1.592 7.364 1.0798 -0.4568 -0.0361 3503SOL H225613 1.749 1.605 7.238 -0.6244 -0.0085 1.0885 3504SOL OH225614 0.802 1.094 0.140 0.0210 0.0938 -0.2840 3504SOL H125615 0.713 1.057 0.137 0.1086 -0.3649 1.3676 3504SOL H225616 0.809 1.131 0.228 1.5663 -0.1447 -0.2786 3505SOL OH225617 2.192 0.405 7.309 0.5060 -0.0227 0.2608 3505SOL H125618 2.121 0.425 7.370 1.1834 2.3150 0.3795 3505SOL H225619 2.236 0.329 7.348 -1.3080 -0.9027 0.6854 3506SOL OH225620 1.687 4.751 0.449 -0.2984 -0.0936 -0.7707 3506SOL H125621 1.777 4.784 0.447 -0.8023 1.7078 1.6975 3506SOL H225622 1.639 4.810 0.391 -1.0211 3.3671 2.9429 3507SOL OH225623 3.100 1.244 6.541 0.0645 -0.0960 0.0060 3507SOL H125624 3.157 1.292 6.601 0.8605 2.9774 -2.9015 3507SOL H225625 3.020 1.298 6.536 1.3458 1.8199 -4.0824 3508SOL OH225626 5.468 1.683 2.229 0.6498 0.2741 0.6241 3508SOL H125627 5.456 1.588 2.234 2.5240 0.0578 1.6421 3508SOL H225628 5.400 1.712 2.168 -1.8064 -1.3278 2.4393 3509SOL OH225629 2.131 1.207 1.144 -0.0343 0.3058 -0.0862 3509SOL H125630 2.180 1.215 1.226 -0.4266 0.4590 0.1350 3509SOL H225631 2.168 1.274 1.088 1.2438 -0.7479 -0.5600 3510SOL OH225632 2.225 4.003 6.792 -0.0548 0.1429 -0.4185 3510SOL H125633 2.229 4.042 6.705 -0.1686 2.8391 0.6958 3510SOL H225634 2.133 4.005 6.816 0.0868 0.2440 0.1265 3511SOL OH225635 0.073 3.499 7.051 -0.1321 -0.3103 0.4766 3511SOL H125636 0.034 3.583 7.026 -0.4524 -0.2185 1.2618 3511SOL H225637 0.108 3.464 6.969 -2.7450 -0.8839 -0.5190 3512SOL OH225638 4.063 3.711 0.104 -0.0546 0.6324 -0.0557 3512SOL H125639 4.088 3.633 0.152 1.6669 0.0629 -1.7209 3512SOL H225640 4.080 3.783 0.165 -2.7137 -0.2453 1.8940 3513SOL OH225641 3.563 3.824 7.002 0.2558 -0.7430 0.0751 3513SOL H125642 3.522 3.796 7.084 -1.2188 2.3005 0.5061 3513SOL H225643 3.657 3.826 7.022 -0.1964 2.3481 2.6584 3514SOL OH225644 0.798 2.624 7.962 0.7785 0.3527 -0.0600 3514SOL H125645 0.811 2.715 7.936 0.3005 0.1167 -1.1885 3514SOL H225646 0.795 2.626 8.058 1.7691 1.3784 -0.0411 3515SOL OH225647 0.312 2.928 8.197 0.2296 -0.3873 0.1364 3515SOL H125648 0.325 2.997 8.262 0.1550 0.9397 -1.1981 3515SOL H225649 0.270 2.857 8.246 -2.7453 1.7074 0.9436 3516SOL OH225650 2.093 3.289 1.995 -0.3592 1.1077 0.6204 3516SOL H125651 2.052 3.308 1.910 -0.8917 0.1889 0.6596 3516SOL H225652 2.140 3.369 2.017 0.5914 1.0368 -1.0099 3517SOL OH225653 3.312 0.078 0.795 0.4586 -0.0399 0.4223 3517SOL H125654 3.367 0.020 0.741 -1.3367 0.4249 -2.0754 3517SOL H225655 3.223 0.043 0.784 -0.1652 0.9615 1.9747 3518SOL OH225656 4.699 0.400 7.344 0.2076 0.1879 -0.8477 3518SOL H125657 4.771 0.461 7.325 -0.0945 0.1348 -2.3399 3518SOL H225658 4.620 0.451 7.328 -0.0829 -0.0373 -0.1634 3519SOL OH225659 3.377 1.777 0.802 -0.2376 0.7350 -0.0944 3519SOL H125660 3.293 1.773 0.757 -0.1578 1.8922 -0.3989 3519SOL H225661 3.403 1.869 0.796 1.7103 0.1735 -1.2285 3520SOL OH225662 2.009 5.641 1.514 -0.0215 -0.8166 0.2402 3520SOL H125663 2.093 5.612 1.479 0.5210 0.7444 0.1812 3520SOL H225664 1.948 5.632 1.440 0.7550 0.8306 -0.6541 3521SOL OH225665 0.243 4.433 0.272 0.3176 -0.3908 -0.4145 3521SOL H125666 0.287 4.450 0.355 -0.0073 0.5575 -0.4304 3521SOL H225667 0.220 4.519 0.239 0.3667 -0.7686 -1.4565 3522SOL OH225668 -0.012 1.920 7.796 0.2034 0.7319 0.0392 3522SOL H125669 0.007 1.944 7.705 -1.2174 -0.1948 -0.5424 3522SOL H225670 0.042 1.980 7.848 1.6823 0.7290 -1.3988 3523SOL OH225671 3.731 2.841 7.804 0.0867 -0.0986 -0.4696 3523SOL H125672 3.784 2.773 7.847 -1.4692 -1.7203 -0.9623 3523SOL H225673 3.722 2.809 7.714 -0.2147 1.0844 -0.8644 3524SOL OH225674 1.695 1.036 8.153 -0.1899 -0.1326 0.3351 3524SOL H125675 1.780 1.074 8.132 1.0005 -1.3518 2.5167 3524SOL H225676 1.696 0.951 8.110 0.2364 -0.6331 1.2926 3525SOL OH225677 1.311 5.163 1.641 0.1452 -0.2975 0.4302 3525SOL H125678 1.226 5.120 1.641 -0.6513 1.0233 -2.3997 3525SOL H225679 1.350 5.139 1.556 1.7345 0.7075 0.8253 3526SOL OH225680 0.395 4.448 6.830 1.0931 0.4242 -0.2760 3526SOL H125681 0.467 4.416 6.777 0.2204 0.6745 -1.6898 3526SOL H225682 0.334 4.486 6.766 -1.1834 -1.4708 0.6372 3527SOL OH225683 1.855 4.775 6.525 0.8895 -0.2478 0.3987 3527SOL H125684 1.912 4.699 6.529 0.3688 -0.8906 -2.2793 3527SOL H225685 1.770 4.744 6.556 1.4116 0.1596 2.3745 3528SOL OH225686 4.511 3.637 7.718 -0.0472 -0.2702 -0.3418 3528SOL H125687 4.557 3.635 7.802 -0.4743 -0.0759 -0.1010 3528SOL H225688 4.419 3.648 7.741 0.0338 2.3147 -0.8584 3529SOL OH225689 2.298 5.536 8.135 0.5835 -0.2030 -0.3092 3529SOL H125690 2.351 5.579 8.202 2.3862 -0.7058 -1.3420 3529SOL H225691 2.332 5.447 8.131 -0.4093 -0.5685 -0.9759 3530SOL OH225692 2.862 3.215 0.817 0.2320 -0.1584 0.2608 3530SOL H125693 2.871 3.303 0.780 0.4767 -0.2497 0.1007 3530SOL H225694 2.934 3.165 0.778 0.3597 -0.3154 0.6903 3531SOL OH225695 0.641 4.283 0.502 0.3421 -0.7528 0.0260 3531SOL H125696 0.731 4.295 0.533 0.4151 -0.9413 -0.1090 3531SOL H225697 0.638 4.325 0.417 1.0180 -2.9023 -1.1424 3532SOL OH225698 3.855 3.122 8.145 0.2633 0.0275 -0.0646 3532SOL H125699 3.778 3.102 8.092 -0.8695 -0.6983 1.7448 3532SOL H225700 3.888 3.205 8.110 -0.3911 -0.4441 -1.8861 3533SOL OH225701 2.394 0.080 1.301 -0.4362 0.1603 0.3700 3533SOL H125702 2.319 0.038 1.259 1.1965 -0.5614 -2.0267 3533SOL H225703 2.369 0.088 1.393 -3.4829 0.0953 -0.3635 3534SOL OH225704 0.482 2.799 0.976 0.5708 0.2764 0.0782 3534SOL H125705 0.456 2.725 1.032 1.4741 -1.2689 -1.4429 3534SOL H225706 0.433 2.785 0.895 3.0751 -0.4865 -1.3909 3535SOL OH225707 2.773 0.739 6.708 -0.2646 -0.9901 -0.0436 3535SOL H125708 2.854 0.732 6.758 -1.1883 -0.6887 1.5556 3535SOL H225709 2.753 0.649 6.682 0.0016 -1.2093 0.5042 3536SOL OH225710 1.788 1.361 1.735 0.6904 -0.8436 0.4531 3536SOL H125711 1.791 1.345 1.829 3.6437 -2.5309 0.1879 3536SOL H225712 1.757 1.452 1.727 -1.3232 -1.2125 2.8907 3537SOL OH225713 3.813 5.453 2.187 -0.1806 -0.5179 -0.0006 3537SOL H125714 3.828 5.359 2.176 -0.6911 -0.5491 -0.4300 3537SOL H225715 3.719 5.461 2.198 0.0706 -0.3511 3.0441 3538SOL OH225716 4.760 0.935 1.644 0.1004 -0.4504 -0.1997 3538SOL H125717 4.748 1.023 1.608 0.6126 0.0739 0.8605 3538SOL H225718 4.722 0.877 1.578 -1.3347 0.6301 -0.3768 3539SOL OH225719 3.432 3.291 8.308 -0.5520 -0.1321 0.1959 3539SOL H125720 3.508 3.332 8.348 0.1647 -2.6378 1.6321 3539SOL H225721 3.359 3.317 8.364 -0.3233 0.2862 0.2982 3540SOL OH225722 1.142 1.766 0.363 0.2783 0.4021 0.1178 3540SOL H125723 1.188 1.837 0.316 2.8690 -1.0295 0.3119 3540SOL H225724 1.187 1.761 0.447 -1.6243 0.2127 1.1646 3541SOL OH225725 5.611 3.222 2.399 -0.2936 0.1992 0.0613 3541SOL H125726 5.614 3.129 2.377 3.0945 0.3161 -0.5779 3541SOL H225727 5.610 3.225 2.495 0.4565 -0.5351 0.1007 3542SOL OH225728 3.213 2.194 7.557 -0.3934 0.1962 -0.3460 3542SOL H125729 3.253 2.164 7.638 -0.1433 1.7306 0.1398 3542SOL H225730 3.246 2.283 7.546 -1.7200 0.6058 -1.2569 3543SOL OH225731 0.618 0.127 6.855 0.1996 0.0753 -0.4875 3543SOL H125732 0.617 0.100 6.763 1.3734 -1.8550 -0.0008 3543SOL H225733 0.676 0.203 6.858 -1.0548 1.1216 -1.5302 3544SOL OH225734 2.376 1.324 6.839 -0.2968 -0.2670 0.4116 3544SOL H125735 2.290 1.281 6.838 0.4897 -1.9351 -0.4124 3544SOL H225736 2.435 1.256 6.873 1.0071 0.1675 -0.8846 3545SOL OH225737 0.869 3.686 0.506 -0.6748 -0.0007 -0.1850 3545SOL H125738 0.853 3.676 0.600 1.2180 -0.9767 0.0991 3545SOL H225739 0.938 3.623 0.487 -1.2218 -0.0364 -2.3194 3546SOL OH225740 1.813 5.672 7.065 -0.4922 0.1629 0.0401 3546SOL H125741 1.858 5.709 7.141 1.6386 2.6838 -2.2432 3546SOL H225742 1.882 5.661 6.999 -2.4220 -0.7482 -1.9610 3547SOL OH225743 5.688 2.655 1.279 0.0936 -0.7818 0.4904 3547SOL H125744 5.729 2.579 1.239 -1.6557 -2.4968 1.7755 3547SOL H225745 5.694 2.639 1.374 -2.9670 -0.9265 0.7709 3548SOL OH225746 3.292 1.954 7.032 -0.1219 0.1632 0.4312 3548SOL H125747 3.202 1.945 7.001 -0.4817 1.7172 0.9137 3548SOL H225748 3.323 1.864 7.045 -1.7744 -0.3897 0.7497 3549SOL OH225749 3.866 5.171 0.148 0.1576 -0.3887 -0.9598 3549SOL H125750 3.773 5.156 0.166 -0.1366 0.3292 -1.7868 3549SOL H225751 3.889 5.105 0.083 -0.1271 0.2046 -1.6957 3550SOL OH225752 1.002 5.565 7.584 0.3693 0.5955 -1.1481 3550SOL H125753 0.989 5.651 7.624 1.8447 0.7165 -0.8844 3550SOL H225754 0.962 5.573 7.498 -1.7807 0.7095 -0.2114 3551SOL OH225755 3.444 0.417 7.763 0.1296 -0.1242 0.5152 3551SOL H125756 3.536 0.419 7.792 0.1099 1.0090 0.5351 3551SOL H225757 3.448 0.384 7.673 0.4369 -1.2258 0.9241 3552SOL OH225758 1.019 4.664 7.072 0.3775 0.3387 0.7260 3552SOL H125759 1.087 4.603 7.041 0.8303 1.3338 -0.2793 3552SOL H225760 1.004 4.637 7.163 1.0717 -0.8296 0.5205 3553SOL OH225761 3.146 0.847 0.857 -0.5259 -0.0052 0.6322 3553SOL H125762 3.167 0.754 0.866 1.0800 0.4257 1.8118 3553SOL H225763 3.219 0.892 0.900 1.1707 1.9959 -3.7911 3554SOL OH225764 1.254 5.915 6.991 0.6091 0.4453 -0.0348 3554SOL H125765 1.165 5.948 6.977 -0.7350 -2.3778 1.1950 3554SOL H225766 1.269 5.923 7.085 0.7626 -1.1106 0.0990 3555SOL OH225767 3.583 0.479 7.460 0.4030 0.1470 -0.0333 3555SOL H125768 3.669 0.464 7.499 -1.2721 -3.1015 3.0182 3555SOL H225769 3.566 0.572 7.472 1.9073 0.1378 3.0509 3556SOL OH225770 2.260 5.573 7.478 -0.4148 0.4578 0.0475 3556SOL H125771 2.323 5.502 7.490 -1.6015 -0.8767 -1.1970 3556SOL H225772 2.310 5.641 7.434 -0.2504 -1.4766 -3.1074 3557SOL OH225773 3.234 4.059 8.304 -0.5864 0.0951 0.6112 3557SOL H125774 3.173 3.994 8.269 0.5094 -1.0122 0.6576 3557SOL H225775 3.181 4.137 8.320 -1.3591 0.3476 -2.5824 3558SOL OH225776 5.683 2.289 7.652 -0.1312 -0.1373 0.0528 3558SOL H125777 5.636 2.305 7.570 -0.4270 -0.1646 0.2187 3558SOL H225778 5.619 2.248 7.710 0.6929 -2.3186 -0.4837 3559SOL OH225779 5.803 5.987 6.797 0.0140 -0.1994 0.4394 3559SOL H125780 5.773 6.045 6.726 1.1838 1.1269 0.9767 3559SOL H225781 5.892 6.016 6.815 0.1568 -1.3204 1.6420 3560SOL OH225782 2.891 1.623 8.216 -0.0697 -0.1485 -0.5626 3560SOL H125783 2.953 1.586 8.280 -0.6961 -1.1451 -0.5108 3560SOL H225784 2.854 1.547 8.172 -2.2280 0.3435 0.2990 3561SOL OH225785 5.153 1.197 8.288 -0.2990 0.0602 0.6093 3561SOL H125786 5.203 1.215 8.368 0.0429 0.7764 0.2507 3561SOL H225787 5.076 1.253 8.296 0.9927 2.2308 -0.7307 3562SOL OH225788 3.478 0.593 1.176 -0.3286 0.2006 -0.4099 3562SOL H125789 3.388 0.562 1.189 0.7286 -1.7942 4.1628 3562SOL H225790 3.482 0.676 1.224 0.3940 -0.0096 -0.0998 3563SOL OH225791 2.487 1.916 6.221 0.3066 0.3095 -0.0406 3563SOL H125792 2.490 1.849 6.289 -0.4014 -0.5705 -0.8375 3563SOL H225793 2.453 1.994 6.264 -0.3701 -0.3043 0.5502 3564SOL OH225794 2.888 4.258 1.669 0.5691 -0.3541 -0.0964 3564SOL H125795 2.847 4.320 1.730 0.1923 0.0293 -0.7391 3564SOL H225796 2.816 4.210 1.630 0.7715 -0.1914 -0.6809 3565SOL OH225797 2.505 6.084 0.688 0.3675 -0.0872 0.3480 3565SOL H125798 2.569 6.109 0.621 0.4185 -0.3707 0.2891 3565SOL H225799 2.554 6.027 0.747 0.2325 -0.1100 0.4378 3566SOL OH225800 1.220 2.785 1.784 -0.9393 -0.2243 0.7232 3566SOL H125801 1.247 2.803 1.874 0.3084 -3.1008 1.0321 3566SOL H225802 1.174 2.701 1.789 -1.3237 -0.1843 -1.2541 3567SOL OH225803 1.579 0.352 1.237 -0.1082 -0.2543 0.4601 3567SOL H125804 1.575 0.329 1.145 -1.2786 0.3543 0.3434 3567SOL H225805 1.668 0.386 1.249 -0.2932 0.7098 -0.7062 3568SOL OH225806 3.622 4.969 6.445 -0.1797 -0.8147 -0.1213 3568SOL H125807 3.578 4.911 6.384 1.2551 -1.8480 -0.2228 3568SOL H225808 3.603 5.057 6.412 -1.8554 -1.2073 -0.3301 3569SOL OH225809 1.857 4.714 0.991 -0.3916 0.6815 0.2428 3569SOL H125810 1.950 4.711 0.968 -0.1223 1.1905 1.2072 3569SOL H225811 1.811 4.714 0.906 0.4571 -0.0283 -0.2380 3570SOL OH225812 4.393 4.430 8.234 0.0908 0.0752 -0.3932 3570SOL H125813 4.318 4.481 8.265 1.1265 1.0096 0.6681 3570SOL H225814 4.357 4.343 8.216 -1.2152 0.4679 0.2178 3571SOL OH225815 3.770 5.020 2.534 0.5353 -0.4812 -0.0036 3571SOL H125816 3.702 5.000 2.471 -0.0419 -0.7533 0.6891 3571SOL H225817 3.814 4.936 2.550 -0.5076 -0.8206 1.3034 3572SOL OH225818 4.703 1.014 2.705 -0.4304 0.1283 -0.3126 3572SOL H125819 4.707 0.935 2.650 0.7593 0.6449 -1.0184 3572SOL H225820 4.704 0.981 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3578SOL H225838 4.666 4.986 6.591 -0.0092 0.7172 2.0245 3579SOL OH225839 3.616 3.529 1.624 -0.0006 0.9683 -0.5181 3579SOL H125840 3.587 3.471 1.694 0.4246 0.6799 -0.5703 3579SOL H225841 3.666 3.472 1.565 0.6603 1.4313 -0.4284 3580SOL OH225842 3.261 4.472 0.814 -0.5380 0.5065 -0.3192 3580SOL H125843 3.175 4.513 0.806 -2.0815 -1.6634 2.7209 3580SOL H225844 3.243 4.378 0.806 1.8708 0.0655 -1.2973 3581SOL OH225845 2.946 2.078 7.675 0.4088 0.4418 -0.5322 3581SOL H125846 2.922 2.170 7.669 -0.4117 0.5573 2.5795 3581SOL H225847 2.867 2.031 7.645 0.5614 0.7153 -1.4018 3582SOL OH225848 4.178 0.965 2.514 -0.3693 -0.0101 0.0536 3582SOL H125849 4.164 1.033 2.447 -0.0351 -0.8925 -0.9413 3582SOL H225850 4.273 0.953 2.515 -0.4973 -1.2416 -0.6008 3583SOL OH225851 4.306 0.272 0.817 0.1665 -0.3158 0.2136 3583SOL H125852 4.231 0.291 0.760 -0.4331 -0.3295 0.9867 3583SOL H225853 4.382 0.292 0.763 -0.3882 1.9632 0.1680 3584SOL OH225854 1.923 3.066 7.677 0.0837 0.0470 -0.2300 3584SOL H125855 1.900 3.038 7.766 0.2119 0.5713 -0.0275 3584SOL H225856 1.941 2.985 7.630 1.7586 -0.1663 0.7066 3585SOL OH225857 1.470 4.109 1.258 0.6248 -0.1166 0.0369 3585SOL H125858 1.460 4.176 1.325 1.6008 -0.0244 0.1091 3585SOL H225859 1.525 4.042 1.300 0.2355 -0.6320 -0.2654 3586SOL OH225860 1.181 4.207 0.523 -0.3387 -0.9162 0.0676 3586SOL H125861 1.276 4.201 0.511 0.0865 1.8824 1.2978 3586SOL H225862 1.144 4.180 0.439 1.6126 -0.4327 -0.9950 3587SOL OH225863 2.636 2.084 7.614 -0.8235 -0.3910 -0.2042 3587SOL H125864 2.634 2.174 7.646 -0.1212 0.0310 -1.3219 3587SOL H225865 2.583 2.035 7.678 -1.2735 0.8133 0.3724 3588SOL OH225866 5.343 2.461 8.303 -0.2153 -0.4876 -0.1263 3588SOL H125867 5.359 2.519 8.228 2.0465 0.8748 1.2686 3588SOL H225868 5.326 2.376 8.265 2.9921 -0.3552 -2.2625 3589SOL OH225869 3.387 1.408 1.373 -0.2927 -0.0411 0.0696 3589SOL H125870 3.337 1.481 1.410 -0.0288 1.4710 -2.2795 3589SOL H225871 3.404 1.435 1.282 1.3316 -2.2877 -0.3831 3590SOL OH225872 5.854 5.998 7.372 0.8674 -0.4441 -0.6952 3590SOL H125873 5.852 5.977 7.278 0.8458 0.4577 -0.9057 3590SOL H225874 5.833 6.091 7.376 -2.5500 -1.1220 0.4536 3591SOL OH225875 2.479 5.882 1.971 -0.0354 -0.8031 -0.0042 3591SOL H125876 2.540 5.932 1.917 -1.8485 0.8402 -0.6385 3591SOL H225877 2.485 5.923 2.058 1.6192 -2.3424 0.6674 3592SOL OH225878 0.611 6.030 7.957 -0.2306 -0.1899 0.5354 3592SOL H125879 0.580 6.120 7.970 -0.1027 0.2939 -1.9868 3592SOL H225880 0.639 6.002 8.044 1.3753 2.8145 1.1453 3593SOL OH225881 5.235 5.029 0.985 0.0082 -0.1316 -0.5063 3593SOL H125882 5.310 4.990 0.940 -1.0013 -0.5907 -1.8516 3593SOL H225883 5.271 5.107 1.027 1.2290 -0.3098 -1.1589 3594SOL OH225884 4.907 5.072 6.748 -0.4661 -0.3781 -0.6484 3594SOL H125885 4.912 5.080 6.653 0.1077 0.9354 -0.5283 3594SOL H225886 4.935 5.157 6.781 -3.9149 0.4254 0.6621 3595SOL OH225887 5.477 0.712 0.748 0.0556 -0.2942 -0.2426 3595SOL H125888 5.552 0.682 0.697 0.6419 0.0191 0.4271 3595SOL H225889 5.490 0.806 0.758 0.1276 -0.4024 0.7648 3596SOL OH225890 4.446 6.074 0.594 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-0.6328 3608SOL OH225926 5.900 1.540 0.469 0.5873 0.8671 -0.2602 3608SOL H125927 5.973 1.597 0.492 0.4627 0.0155 2.6522 3608SOL H225928 5.826 1.574 0.520 -0.3461 0.0959 -1.0560 3609SOL OH225929 5.747 4.194 6.534 -0.0699 -0.1421 -0.0885 3609SOL H125930 5.826 4.226 6.490 -0.6074 0.7611 -0.4165 3609SOL H225931 5.780 4.134 6.601 0.9081 0.3489 -0.1126 3610SOL OH225932 1.310 0.443 6.439 -0.4311 0.2880 -0.2805 3610SOL H125933 1.251 0.388 6.388 0.8825 -1.4985 0.0558 3610SOL H225934 1.292 0.420 6.530 -0.3956 0.9918 -0.0906 3611SOL OH225935 5.709 1.559 2.210 -0.2518 -0.0288 0.4002 3611SOL H125936 5.655 1.637 2.198 -1.1951 -1.0098 -2.5224 3611SOL H225937 5.748 1.571 2.296 0.9041 4.4205 -0.4798 3612SOL OH225938 2.128 0.061 1.190 0.0469 0.0644 -0.1556 3612SOL H125939 2.135 0.120 1.115 -2.3198 2.2104 1.1476 3612SOL H225940 2.074 -0.012 1.159 0.5228 0.0440 -0.9721 3613SOL OH225941 0.513 3.749 7.048 0.1315 -0.5429 0.1841 3613SOL H125942 0.507 3.753 6.953 0.7891 -0.5944 0.1384 3613SOL H225943 0.571 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3619SOL H225961 4.657 1.203 8.156 0.3558 0.4116 1.1443 3620SOL OH225962 2.691 2.021 1.841 0.0686 0.3310 -0.5637 3620SOL H125963 2.617 2.081 1.843 -2.6026 -2.6733 2.2232 3620SOL H225964 2.748 2.051 1.912 -1.7329 -0.7450 1.4767 3621SOL OH225965 2.686 0.473 6.659 -0.3005 -0.0195 -0.5714 3621SOL H125966 2.597 0.477 6.694 -1.6392 0.7814 -3.7099 3621SOL H225967 2.692 0.387 6.619 0.3239 -0.0517 -0.4158 3622SOL OH225968 3.092 0.055 6.893 -0.2328 0.4016 0.2550 3622SOL H125969 3.061 0.070 6.804 -0.5267 2.3857 0.6518 3622SOL H225970 3.137 0.136 6.917 -1.0150 0.2929 2.2507 3623SOL OH225971 1.268 3.263 0.280 -0.1741 0.5270 -0.0514 3623SOL H125972 1.314 3.182 0.262 -2.2242 -0.9320 0.8504 3623SOL H225973 1.218 3.281 0.200 -1.0349 -0.0646 0.3421 3624SOL OH225974 4.108 5.116 8.243 -0.0403 -0.2219 0.0959 3624SOL H125975 4.079 5.079 8.159 -2.2072 0.4359 0.5003 3624SOL H225976 4.184 5.063 8.267 -0.5313 -1.6714 -1.3483 3625SOL OH225977 3.794 2.034 0.276 0.0871 -0.8132 0.2570 3625SOL H125978 3.751 2.082 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3631SOL H125996 1.932 4.837 1.298 -0.5205 -1.2212 1.5057 3631SOL H225997 1.843 4.959 1.299 1.8558 0.5912 0.7012 3632SOL OH225998 2.176 0.544 0.854 -0.1784 0.1413 0.4900 3632SOL H125999 2.088 0.528 0.887 -0.1141 -0.2029 0.4986 3632SOL H226000 2.202 0.628 0.893 -0.8526 0.7078 -0.2553 3633SOL OH226001 3.070 1.064 0.368 0.3290 0.4745 0.4941 3633SOL H126002 3.061 1.069 0.463 -1.1324 -0.7620 0.4699 3633SOL H226003 3.013 1.133 0.334 -0.1234 0.1175 0.5143 3634SOL OH226004 1.022 4.049 1.945 -0.0828 0.1558 0.0456 3634SOL H126005 0.943 4.010 1.907 -0.1529 0.7016 -0.3917 3634SOL H226006 1.013 4.037 2.039 -0.5085 -0.1234 -0.0302 3635SOL OH226007 4.644 3.114 1.772 0.8641 0.4555 -0.2063 3635SOL H126008 4.671 3.182 1.711 0.5847 0.5218 -0.2581 3635SOL H226009 4.549 3.125 1.779 0.6284 -0.7312 -1.1952 3636SOL OH226010 1.788 2.021 6.601 -0.2242 0.1868 -0.1803 3636SOL H126011 1.787 1.939 6.651 -0.5217 0.6037 0.5214 3636SOL H226012 1.798 1.994 6.510 1.5305 -0.5460 0.1937 3637SOL OH226013 0.323 4.524 1.145 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OH226031 1.015 1.618 6.613 -0.4223 -0.3790 0.1392 3643SOL H126032 0.927 1.605 6.576 -0.2576 -1.4594 0.0760 3643SOL H226033 1.030 1.539 6.665 0.3780 -0.0383 0.4345 3644SOL OH226034 0.273 0.222 1.082 0.0084 -0.4100 0.3750 3644SOL H126035 0.304 0.265 1.002 1.4744 -0.3151 0.9624 3644SOL H226036 0.277 0.129 1.063 1.8037 -0.4522 0.8052 3645SOL OH226037 2.834 2.138 2.059 0.2856 0.1453 0.1204 3645SOL H126038 2.759 2.181 2.099 -0.4503 0.0295 -1.1082 3645SOL H226039 2.902 2.206 2.056 0.0988 0.3732 0.8375 3646SOL OH226040 4.625 2.749 1.672 0.0496 -0.0668 0.4830 3646SOL H126041 4.607 2.666 1.629 -1.6323 -0.2333 1.4175 3646SOL H226042 4.595 2.737 1.762 -1.0716 1.8000 0.4220 3647SOL OH226043 5.243 5.579 1.384 -0.4310 0.6216 -0.2948 3647SOL H126044 5.329 5.580 1.427 -0.7918 -0.6562 0.5027 3647SOL H226045 5.192 5.645 1.430 0.1599 1.5199 -0.8916 3648SOL OH226046 4.816 5.719 0.186 -0.1825 -0.0777 0.8581 3648SOL H126047 4.894 5.680 0.147 -0.8822 -0.6162 -0.0329 3648SOL H226048 4.798 5.795 0.130 -1.2335 -0.8966 0.0537 3649SOL OH226049 2.247 2.065 6.022 -0.6900 -0.2519 -0.4939 3649SOL H126050 2.215 2.083 5.933 1.5990 -0.6177 -1.4661 3649SOL H226051 2.281 1.976 6.018 1.5060 0.4948 0.0622 3650SOL OH226052 2.183 3.185 0.851 -0.2014 -0.1889 0.1594 3650SOL H126053 2.107 3.132 0.829 -0.5113 -0.6029 2.0456 3650SOL H226054 2.186 3.185 0.947 3.2258 -1.7437 0.1896 3651SOL OH226055 0.702 5.506 1.323 0.1885 0.2145 0.3648 3651SOL H126056 0.752 5.494 1.243 1.1002 -0.9878 1.0658 3651SOL H226057 0.651 5.585 1.309 -2.8305 -2.0214 -3.0212 3652SOL OH226058 4.032 3.654 7.600 0.1218 -0.2199 -0.2454 3652SOL H126059 3.991 3.697 7.525 1.4619 -0.4959 -1.1739 3652SOL H226060 4.036 3.722 7.667 0.5007 0.5734 -1.0509 3653SOL OH226061 3.668 1.199 6.743 0.5460 0.2138 0.3008 3653SOL H126062 3.646 1.114 6.703 -0.1363 1.1115 -1.3258 3653SOL H226063 3.613 1.204 6.821 0.1139 -0.5668 0.0567 3654SOL OH226064 3.410 1.690 6.970 -0.0675 -0.5376 -0.2795 3654SOL H126065 3.486 1.638 6.944 -0.4330 -0.7930 -0.8637 3654SOL H226066 3.351 1.627 7.012 1.5058 0.2405 3.5236 3655SOL OH226067 0.874 3.333 1.398 0.3275 0.3300 0.1071 3655SOL H126068 0.801 3.273 1.384 -0.2066 1.2550 -1.3016 3655SOL H226069 0.878 3.385 1.318 1.6800 1.2129 0.7108 3656SOL OH226070 3.965 5.540 0.333 -0.4157 0.0022 -0.4982 3656SOL H126071 3.977 5.496 0.248 -1.3040 -0.6259 -0.3080 3656SOL H226072 4.048 5.586 0.347 -0.0373 -0.3509 -1.4343 3657SOL OH226073 1.890 0.658 8.032 -0.1931 -0.2818 0.7583 3657SOL H126074 1.893 0.701 7.947 0.1989 -0.0264 0.8988 3657SOL H226075 1.797 0.640 8.047 -0.1112 -2.3468 -0.7142 3658SOL OH226076 1.363 0.690 0.916 0.1291 0.2939 -0.3155 3658SOL H126077 1.358 0.666 1.009 1.2256 -1.5661 -0.6828 3658SOL H226078 1.433 0.755 0.912 0.4537 -0.0231 0.1026 3659SOL OH226079 0.522 3.851 0.634 0.1037 -0.5977 0.2564 3659SOL H126080 0.581 3.926 0.625 -1.7853 0.9264 -0.0882 3659SOL H226081 0.538 3.799 0.555 -0.3531 0.8312 -0.8302 3660SOL OH226082 4.693 5.789 0.552 -0.4616 -0.0366 -0.3244 3660SOL H126083 4.611 5.822 0.517 -0.6154 -0.2450 -0.1662 3660SOL H226084 4.760 5.819 0.490 -1.0378 -3.0989 -2.6854 3661SOL OH226085 3.991 3.208 0.700 0.4448 -0.5323 0.0109 3661SOL H126086 4.083 3.192 0.680 0.1506 -0.7570 -1.2531 3661SOL H226087 3.943 3.156 0.636 -0.5547 1.0802 -0.6032 3662SOL OH226088 3.346 0.784 6.207 -0.2019 0.0853 -0.0592 3662SOL H126089 3.365 0.874 6.182 -0.5168 0.0911 -0.2740 3662SOL H226090 3.298 0.747 6.133 1.9019 -0.9704 -0.9857 3663SOL OH226091 2.682 1.667 2.249 -0.3752 0.0085 -0.7137 3663SOL H126092 2.747 1.597 2.252 0.6427 0.9554 0.5374 3663SOL H226093 2.726 1.737 2.201 -0.2107 0.8781 0.6564 3664SOL OH226094 4.706 3.952 1.475 0.2856 0.1768 0.2899 3664SOL H126095 4.651 3.944 1.553 -1.8009 0.3294 -1.0882 3664SOL H226096 4.685 4.038 1.439 2.1325 0.6249 0.1742 3665SOL OH226097 3.469 0.846 6.932 0.1317 -0.2247 0.1606 3665SOL H126098 3.473 0.936 6.963 2.8745 -0.0780 -0.3492 3665SOL H226099 3.552 0.807 6.961 -0.5078 -2.2564 -0.5693 3666SOL OH226100 2.717 3.973 7.449 0.2353 -0.2495 0.4289 3666SOL H126101 2.728 4.068 7.453 -0.7961 -0.1501 1.7678 3666SOL H226102 2.746 3.949 7.361 -1.6713 1.6293 -0.8333 3667SOL OH226103 4.011 3.974 8.075 0.3909 0.6838 -0.3940 3667SOL H126104 3.961 3.896 8.099 0.2467 0.6469 -0.8050 3667SOL H226105 3.949 4.028 8.026 0.9776 0.2629 -1.6358 3668SOL OH226106 3.736 3.230 0.894 0.0636 0.1564 0.0299 3668SOL H126107 3.737 3.159 0.830 2.1323 0.5069 -0.3917 3668SOL H226108 3.818 3.219 0.943 -0.8148 0.7290 1.6901 3669SOL OH226109 2.511 3.504 7.313 -0.0770 0.3059 -0.2387 3669SOL H126110 2.503 3.576 7.251 -1.7986 0.1062 -0.2783 3669SOL H226111 2.506 3.547 7.399 -2.9236 0.1292 -0.2421 3670SOL OH226112 3.460 5.325 8.281 0.2176 -0.0936 0.0320 3670SOL H126113 3.530 5.261 8.263 0.2795 0.1212 -0.5040 3670SOL H226114 3.444 5.366 8.197 -1.2018 -0.7858 -0.0591 3671SOL OH226115 1.394 2.642 7.541 -0.5877 -0.3688 0.6294 3671SOL H126116 1.321 2.586 7.516 -0.5936 -0.5018 0.9352 3671SOL H226117 1.401 2.706 7.470 -0.6519 -0.6905 0.3337 3672SOL OH226118 0.759 4.815 7.366 -0.7799 0.2807 -0.3044 3672SOL H126119 0.689 4.872 7.399 -0.3321 0.2820 0.6767 3672SOL H226120 0.752 4.736 7.420 -0.6951 -0.1503 -0.9161 3673SOL OH226121 5.686 3.711 7.313 0.1091 -0.5072 0.3164 3673SOL H126122 5.779 3.733 7.316 -0.0129 -0.1098 1.6439 3673SOL H226123 5.660 3.701 7.405 -1.4607 0.6555 0.0494 3674SOL OH226124 2.655 0.534 1.660 0.3677 -0.0450 -0.3182 3674SOL H126125 2.672 0.455 1.609 1.7246 -1.2708 1.8553 3674SOL H226126 2.573 0.516 1.706 0.2201 0.1932 -0.4852 3675SOL OH226127 1.668 0.617 2.709 0.0367 -0.3189 -0.2794 3675SOL H126128 1.751 0.662 2.726 -0.9161 1.7426 -0.8153 3675SOL H226129 1.601 0.682 2.728 -1.4645 -1.8008 -0.3027 3676SOL OH226130 2.807 0.991 1.157 -0.1495 -0.7299 0.1345 3676SOL H126131 2.842 1.077 1.178 -0.7981 0.3937 -2.9415 3676SOL H226132 2.884 0.937 1.142 0.2621 -0.7842 2.1067 3677SOL OH226133 3.812 4.350 0.305 -0.0244 -0.8183 0.7523 3677SOL H126134 3.778 4.404 0.376 0.6291 -1.2113 1.3849 3677SOL H226135 3.835 4.412 0.236 0.3664 -0.3173 1.3210 3678SOL OH226136 2.715 2.175 6.520 0.1221 0.2967 0.2634 3678SOL H126137 2.647 2.201 6.582 -2.6742 0.5118 -2.6179 3678SOL H226138 2.766 2.255 6.506 0.5166 0.3606 1.8473 3679SOL OH226139 4.522 1.079 6.738 -0.4403 0.0762 -0.3458 3679SOL H126140 4.486 0.997 6.703 0.0809 -0.1784 -0.3021 3679SOL H226141 4.595 1.099 6.679 -0.7374 0.6656 -0.5245 3680SOL OH226142 0.251 1.523 6.583 0.9133 -0.3545 -0.4824 3680SOL H126143 0.298 1.481 6.656 0.5884 0.9313 0.4940 3680SOL H226144 0.175 1.467 6.569 0.2311 0.1285 1.1200 3681SOL OH226145 2.403 4.765 2.355 -0.2039 -0.2143 0.6104 3681SOL H126146 2.376 4.702 2.422 -0.6573 0.3062 0.9206 3681SOL H226147 2.457 4.713 2.295 -0.7299 -0.9473 0.7523 3682SOL OH226148 0.930 1.565 7.407 -0.0678 0.7672 -0.3637 3682SOL H126149 0.984 1.608 7.473 0.7500 -0.7926 0.0440 3682SOL H226150 0.990 1.546 7.335 -0.1028 -0.6840 -0.0474 3683SOL OH226151 5.070 3.842 0.957 -0.2467 -0.6637 -0.6700 3683SOL H126152 5.099 3.765 0.909 0.9102 0.1672 -1.3485 3683SOL H226153 5.147 3.871 1.005 0.0748 1.4346 -2.2832 3684SOL OH226154 0.725 4.846 6.911 -0.4430 -0.0223 -0.3150 3684SOL H126155 0.692 4.819 6.997 2.6967 -3.0036 0.1969 3684SOL H226156 0.799 4.903 6.931 -0.3928 0.1944 -1.0987 3685SOL OH226157 5.381 3.049 1.796 0.5373 -0.2336 -0.2625 3685SOL H126158 5.354 3.086 1.712 -1.8163 0.1111 0.5765 3685SOL H226159 5.466 3.089 1.813 0.4589 0.7113 -1.8595 3686SOL OH226160 0.505 1.469 5.767 0.1912 -0.3704 -0.2624 3686SOL H126161 0.484 1.400 5.704 0.2700 0.3535 -1.0951 3686SOL H226162 0.468 1.438 5.850 -3.3150 0.3555 -1.4048 3687SOL OH226163 5.613 3.308 8.226 -0.3325 0.4283 -0.0853 3687SOL H126164 5.525 3.302 8.261 -0.3604 2.6989 0.3522 3687SOL H226165 5.636 3.217 8.204 -2.4778 -0.2966 0.4271 3688SOL OH226166 1.227 4.714 0.320 0.1045 -0.2731 -0.0701 3688SOL H126167 1.280 4.641 0.353 2.0360 -0.0929 -2.4776 3688SOL H226168 1.223 4.700 0.225 -1.8224 1.3039 -0.2850 3689SOL OH226169 3.830 0.600 5.985 0.4310 -0.5049 -0.6732 3689SOL H126170 3.810 0.630 5.897 -1.5351 -0.5708 -0.3046 3689SOL H226171 3.752 0.622 6.036 1.0943 -1.4025 0.8129 3690SOL OH226172 3.860 3.218 7.407 0.7384 0.1708 -0.5220 3690SOL H126173 3.948 3.181 7.407 0.4277 -0.5894 -0.1699 3690SOL H226174 3.865 3.292 7.467 0.1917 -2.3108 2.8782 3691SOL OH226175 3.113 4.887 7.163 0.2502 -0.1301 -0.5475 3691SOL H126176 3.045 4.898 7.230 0.5695 0.0242 -0.2482 3691SOL H226177 3.073 4.829 7.098 -0.5140 0.6931 -0.8432 3692SOL OH226178 5.088 2.027 0.858 -0.0724 -0.0052 -0.5333 3692SOL H126179 5.097 2.119 0.835 0.9322 0.1677 0.4428 3692SOL H226180 4.993 2.012 0.863 -0.3566 1.8419 2.3753 3693SOL OH226181 2.333 2.412 6.960 0.3153 0.4403 0.1085 3693SOL H126182 2.238 2.401 6.956 0.4216 -0.2473 -1.0434 3693SOL H226183 2.357 2.389 7.049 -0.5403 0.0318 0.2391 3694SOL OH226184 2.598 0.529 2.104 0.1380 -0.1190 0.5500 3694SOL H126185 2.683 0.518 2.145 -0.2643 -1.4586 1.0992 3694SOL H226186 2.552 0.593 2.158 0.4040 -0.2213 0.8968 3695SOL OH226187 4.364 4.132 1.799 -0.2652 -0.0340 0.1369 3695SOL H126188 4.346 4.167 1.711 0.1212 1.2035 0.5214 3695SOL H226189 4.315 4.190 1.857 1.5904 0.8277 0.9168 3696SOL OH226190 4.116 5.346 6.921 0.6619 0.4211 -0.0415 3696SOL H126191 4.148 5.381 6.838 -1.5400 -0.2365 -1.2529 3696SOL H226192 4.107 5.252 6.906 -2.3516 0.5995 -0.1143 3697SOL OH226193 4.735 1.672 1.842 0.1967 0.1782 -0.9545 3697SOL H126194 4.659 1.727 1.859 1.6086 2.4717 -1.6231 3697SOL H226195 4.742 1.616 1.920 -2.0161 -0.0032 -0.8123 3698SOL OH226196 0.499 3.118 7.897 0.0476 -0.6690 -0.3710 3698SOL H126197 0.511 3.040 7.842 0.6444 -1.2883 0.6161 3698SOL H226198 0.409 3.145 7.881 -0.0381 -1.3079 -1.0479 3699SOL OH226199 5.193 0.565 1.760 -0.3167 0.2584 0.2964 3699SOL H126200 5.190 0.570 1.664 -0.9373 -0.3565 0.2811 3699SOL H226201 5.250 0.490 1.778 -0.9058 -0.1635 0.3993 3700SOL OH226202 0.778 0.435 0.339 0.4066 0.3463 -0.2436 3700SOL H126203 0.776 0.349 0.379 0.8427 0.7773 0.7341 3700SOL H226204 0.783 0.496 0.412 1.6784 1.1417 -0.9510 3701SOL OH226205 1.530 0.257 1.484 -0.2492 0.0617 -0.1523 3701SOL H126206 1.605 0.198 1.491 1.3190 2.0125 0.2789 3701SOL H226207 1.540 0.299 1.399 -0.5216 0.7385 0.1371 3702SOL OH226208 4.795 3.447 6.750 -0.0034 -0.1638 -0.9315 3702SOL H126209 4.722 3.438 6.689 -0.5504 -2.2395 -0.0383 3702SOL H226210 4.755 3.483 6.830 0.1051 -0.5420 -0.7070 3703SOL OH226211 3.768 1.284 6.348 0.3577 -0.3904 0.0672 3703SOL H126212 3.749 1.347 6.418 -1.4160 -1.1015 0.2721 3703SOL H226213 3.803 1.207 6.394 -1.8145 -1.2745 0.3696 3704SOL OH226214 3.786 5.373 6.373 0.1087 0.4881 -0.2035 3704SOL H126215 3.805 5.398 6.464 -0.7144 1.5674 -0.3047 3704SOL H226216 3.865 5.329 6.343 1.3542 2.2832 0.2704 3705SOL OH226217 1.108 4.970 7.608 0.0910 0.4073 0.1432 3705SOL H126218 1.084 4.893 7.557 2.2543 1.0270 -1.9755 3705SOL H226219 1.189 4.946 7.652 -1.2087 0.2457 2.6135 3706SOL OH226220 4.818 0.170 1.468 -0.0165 0.2183 -0.1951 3706SOL H126221 4.722 0.171 1.459 -0.1175 3.4989 0.1212 3706SOL H226222 4.849 0.216 1.390 1.3679 -0.9830 -0.3848 3707SOL OH226223 0.334 5.964 6.552 -0.1498 -0.4554 0.4107 3707SOL H126224 0.387 5.912 6.612 -3.2306 -1.4544 2.4411 3707SOL H226225 0.341 6.054 6.584 1.0172 -0.4011 0.0519 3708SOL OH226226 5.217 2.461 1.308 -0.1304 0.1552 0.1666 3708SOL H126227 5.170 2.544 1.310 -1.4353 -0.4491 -1.7204 3708SOL H226228 5.306 2.484 1.281 -0.6292 0.9349 -0.9234 3709SOL OH226229 0.764 0.125 0.684 0.0277 -1.0823 0.1710 3709SOL H126230 0.852 0.106 0.717 1.3476 -0.6804 -2.8156 3709SOL H226231 0.717 0.158 0.761 2.4722 -1.2778 1.8787 3710SOL OH226232 2.933 5.785 0.672 -0.2265 -0.1938 0.3406 3710SOL H126233 2.909 5.699 0.707 3.2490 -1.3347 0.3075 3710SOL H226234 3.027 5.793 0.691 -0.2978 3.4035 -0.1500 3711SOL OH226235 4.046 4.123 7.013 0.3603 0.6746 -0.2968 3711SOL H126236 4.059 4.105 7.107 3.1220 -0.7342 -0.8277 3711SOL H226237 4.098 4.202 6.997 -1.1071 1.6353 -0.4524 3712SOL OH226238 5.821 3.742 6.639 0.1261 -0.2011 0.2696 3712SOL H126239 5.900 3.728 6.587 0.6480 -1.6759 1.4190 3712SOL H226240 5.756 3.682 6.602 0.2696 -0.7088 0.8376 3713SOL OH226241 1.398 5.948 2.539 0.2199 0.4207 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H226312 3.921 3.094 1.080 0.3985 0.6432 0.3960 3737SOL OH226313 5.209 4.019 7.676 0.2539 -0.7273 0.0604 3737SOL H126314 5.274 3.949 7.669 0.3070 -0.9390 2.1613 3737SOL H226315 5.214 4.048 7.767 -0.4952 1.3343 -0.4881 3738SOL OH226316 0.291 3.667 0.246 0.0290 0.4630 -0.5661 3738SOL H126317 0.264 3.670 0.338 2.1801 -0.3182 0.1767 3738SOL H226318 0.286 3.758 0.216 -0.3181 0.7939 0.4491 3739SOL OH226319 5.356 3.707 8.158 0.4216 -1.0262 -0.1703 3739SOL H126320 5.269 3.740 8.137 0.5399 0.2481 1.1308 3739SOL H226321 5.342 3.650 8.234 0.8741 0.5874 1.1968 3740SOL OH226322 5.442 0.635 0.299 0.0066 -0.4293 0.1131 3740SOL H126323 5.438 0.600 0.211 0.4829 -1.4739 0.4950 3740SOL H226324 5.512 0.586 0.342 -1.2389 -1.0446 1.5390 3741SOL OH226325 2.302 3.031 6.895 0.3406 -0.3040 -0.7792 3741SOL H126326 2.360 3.107 6.903 -0.0386 0.1905 -2.3045 3741SOL H226327 2.288 3.022 6.801 0.1703 -2.1322 -0.6143 3742SOL OH226328 5.586 4.149 0.188 -0.4661 -0.4911 -0.1973 3742SOL H126329 5.612 4.239 0.167 -1.7138 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OH226382 0.813 4.700 2.209 0.5101 -0.2812 0.1307 3760SOL H126383 0.806 4.605 2.214 0.0210 -0.1748 2.0552 3760SOL H226384 0.902 4.720 2.237 0.5122 -0.1500 0.0357 3761SOL OH226385 5.718 3.830 2.042 -0.1332 -0.4078 -0.0487 3761SOL H126386 5.783 3.795 2.103 0.0260 0.9708 0.6271 3761SOL H226387 5.710 3.763 1.974 2.7922 -0.2078 -0.7423 3762SOL OH226388 3.346 2.119 6.702 -0.3162 -0.0130 -0.0766 3762SOL H126389 3.299 2.080 6.628 0.5215 -0.4689 -0.3842 3762SOL H226390 3.410 2.178 6.661 -1.0159 1.0687 0.3552 3763SOL OH226391 0.928 2.526 1.830 -0.6007 0.3455 0.4020 3763SOL H126392 0.863 2.590 1.802 -0.0393 0.1676 -1.4353 3763SOL H226393 0.881 2.443 1.832 -0.9754 0.5697 1.3704 3764SOL OH226394 0.335 3.083 0.006 0.3692 -0.0770 0.5186 3764SOL H126395 0.339 3.178 -0.003 0.7490 -0.2370 -1.3041 3764SOL H226396 0.247 3.066 0.040 0.5480 0.9485 1.5608 3765SOL OH226397 2.571 0.470 0.194 -0.2703 -0.4912 0.1560 3765SOL H126398 2.556 0.535 0.125 -1.1706 -0.6752 0.1675 3765SOL H226399 2.627 0.404 0.154 -1.6508 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-1.1518 3777SOL H226435 5.866 1.197 1.941 0.5504 0.8090 0.5468 3778SOL OH226436 2.632 5.672 7.001 0.5319 0.8544 -0.7732 3778SOL H126437 2.660 5.718 7.081 -0.0541 2.0705 -1.2559 3778SOL H226438 2.686 5.710 6.932 -0.5294 1.4284 -1.3083 3779SOL OH226439 4.571 1.599 7.592 0.6075 -1.0346 0.7375 3779SOL H126440 4.619 1.676 7.622 -0.7933 0.0907 0.2249 3779SOL H226441 4.586 1.597 7.497 -4.2801 2.5067 -0.5281 3780SOL OH226442 3.054 5.092 0.619 0.4464 -0.0362 -0.4573 3780SOL H126443 3.140 5.110 0.658 1.6275 -2.6447 -1.6362 3780SOL H226444 3.055 5.141 0.536 1.2161 -0.7462 -0.8910 3781SOL OH226445 2.935 5.557 1.678 -0.0302 0.0191 -0.7055 3781SOL H126446 2.858 5.522 1.724 -0.6871 -0.3385 -2.0309 3781SOL H226447 2.939 5.649 1.705 0.5983 -0.5441 1.3385 3782SOL OH226448 1.443 4.936 0.674 0.4353 -0.1674 -0.1903 3782SOL H126449 1.449 4.947 0.769 1.2427 2.1016 -0.4504 3782SOL H226450 1.366 4.880 0.662 0.3186 -0.5336 1.7788 3783SOL OH226451 1.711 5.860 0.440 0.1652 -0.2977 0.1558 3783SOL H126452 1.700 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OH226628 5.130 1.780 7.367 0.4030 0.2359 0.1398 3842SOL H126629 5.054 1.835 7.349 0.3418 0.0682 -0.1126 3842SOL H226630 5.205 1.836 7.347 0.4639 1.5751 3.5081 3843SOL OH226631 0.919 4.697 0.782 0.5680 0.6612 -0.3141 3843SOL H126632 0.851 4.760 0.807 1.9330 1.8380 0.5942 3843SOL H226633 0.925 4.637 0.856 0.7818 0.7995 -0.2176 3844SOL OH226634 4.776 1.894 0.519 -0.4278 -0.6753 0.2261 3844SOL H126635 4.718 1.824 0.550 -0.2250 -0.3145 1.4761 3844SOL H226636 4.725 1.974 0.531 -0.6255 -0.5840 -1.1174 3845SOL OH226637 0.059 6.054 7.992 -0.5329 -0.0246 -0.2173 3845SOL H126638 0.007 6.117 7.942 2.7523 1.0562 -2.6353 3845SOL H226639 0.113 6.009 7.927 -0.0468 -2.7375 1.8532 3846SOL OH226640 0.997 3.470 7.021 -0.0324 -0.0432 -0.2872 3846SOL H126641 0.923 3.520 6.985 -1.8037 -1.9682 0.4421 3846SOL H226642 0.969 3.447 7.110 1.1602 -1.3958 -0.2262 3847SOL OH226643 3.646 3.304 1.152 -0.6142 -0.1795 0.4511 3847SOL H126644 3.657 3.397 1.137 0.1692 0.0330 2.0531 3847SOL H226645 3.661 3.263 1.067 4.0526 0.8011 0.5573 3848SOL OH226646 5.136 1.510 1.940 0.7616 0.2779 -0.3819 3848SOL H126647 5.060 1.522 1.882 1.5281 -2.9016 -2.2486 3848SOL H226648 5.199 1.462 1.887 2.5764 -0.5232 2.3261 3849SOL OH226649 1.062 1.708 7.591 -0.3405 -0.3512 -0.6321 3849SOL H126650 1.037 1.800 7.600 2.0979 0.2293 1.6436 3849SOL H226651 1.040 1.669 7.676 1.3645 -1.0888 -0.4889 3850SOL OH226652 0.223 3.346 0.583 0.3345 -0.3357 -0.5799 3850SOL H126653 0.146 3.303 0.546 1.9249 -1.5997 -2.5812 3850SOL H226654 0.251 3.289 0.654 0.1049 -0.4627 -0.5893 3851SOL OH226655 4.155 3.827 1.793 0.2124 -0.2845 0.3006 3851SOL H126656 4.103 3.748 1.779 -1.9478 1.2630 -0.9664 3851SOL H226657 4.189 3.849 1.706 0.6757 0.2784 0.6186 3852SOL OH226658 0.732 3.133 2.029 0.0758 0.0511 0.0093 3852SOL H126659 0.682 3.154 2.108 0.3222 2.2371 -0.3608 3852SOL H226660 0.680 3.068 1.984 -1.4031 0.7311 0.6724 3853SOL OH226661 3.091 3.637 7.489 -0.1260 0.9553 -0.0565 3853SOL H126662 3.145 3.670 7.561 -1.0273 0.2748 0.9594 3853SOL H226663 3.020 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3859SOL H226681 5.329 2.333 0.678 -1.3894 0.0362 0.7763 3860SOL OH226682 3.889 3.476 6.801 -0.3708 -0.6255 -0.1553 3860SOL H126683 3.828 3.445 6.734 0.1013 1.1802 -1.4834 3860SOL H226684 3.899 3.569 6.784 -1.5235 0.3400 3.5110 3861SOL OH226685 4.164 1.123 1.910 -0.4558 0.8915 -0.1299 3861SOL H126686 4.215 1.165 1.979 0.9566 0.8584 -1.1257 3861SOL H226687 4.080 1.103 1.952 0.9426 -0.7129 2.1118 3862SOL OH226688 1.788 4.426 1.010 -0.3332 0.5096 -0.3980 3862SOL H126689 1.801 4.521 1.013 0.9490 0.3230 0.6663 3862SOL H226690 1.875 4.390 0.997 -0.8534 -0.5287 -1.1896 3863SOL OH226691 0.839 2.599 0.687 0.3846 0.1486 0.0200 3863SOL H126692 0.744 2.606 0.677 0.4513 -0.4307 -1.2216 3863SOL H226693 0.868 2.552 0.609 1.6078 -0.4127 0.7830 3864SOL OH226694 5.251 5.512 0.250 -0.0321 -0.4524 0.0869 3864SOL H126695 5.174 5.500 0.194 -0.4003 1.5602 0.0860 3864SOL H226696 5.224 5.577 0.315 0.7114 -1.9825 2.0470 3865SOL OH226697 -0.009 1.494 8.185 -0.1557 0.1330 -0.2098 3865SOL H126698 -0.010 1.507 8.090 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H126716 2.327 4.323 1.816 0.2559 0.3199 -1.4525 3871SOL H226717 2.357 4.446 1.898 0.3510 -0.4166 -0.3711 3872SOL OH226718 3.897 1.673 6.534 -0.9987 0.0785 -0.1306 3872SOL H126719 3.928 1.663 6.444 -1.0541 -0.0301 -0.1379 3872SOL H226720 3.856 1.589 6.555 -1.7253 0.3850 -0.2897 3873SOL OH226721 1.637 1.572 2.077 0.0237 -0.3131 -0.1950 3873SOL H126722 1.625 1.637 2.146 1.3453 0.2935 -0.5100 3873SOL H226723 1.721 1.530 2.097 0.8046 0.3912 -1.8175 3874SOL OH226724 3.443 4.000 2.011 -0.3239 -0.3753 0.2544 3874SOL H126725 3.534 4.000 1.979 -1.1893 -1.6866 -2.5619 3874SOL H226726 3.404 4.078 1.970 -0.7789 -0.5235 0.4072 3875SOL OH226727 2.160 3.551 0.509 0.1292 0.1490 0.2984 3875SOL H126728 2.097 3.619 0.486 0.9555 0.7218 -0.3176 3875SOL H226729 2.120 3.506 0.583 -1.5556 -0.2844 -0.8138 3876SOL OH226730 0.500 2.328 1.020 -0.5029 0.3682 0.1340 3876SOL H126731 0.533 2.296 1.104 -2.4108 -0.7914 0.5130 3876SOL H226732 0.533 2.266 0.955 -1.9468 -0.8680 0.5252 3877SOL OH226733 1.863 3.243 2.579 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-1.2266 3900SOL H226804 3.861 5.521 1.108 2.9710 0.6157 0.0499 3901SOL OH226805 2.289 4.275 8.087 0.1548 -0.0894 0.6082 3901SOL H126806 2.321 4.343 8.028 0.2552 -0.2908 0.4298 3901SOL H226807 2.301 4.312 8.174 -1.0289 0.6697 0.4756 3902SOL OH226808 3.539 6.053 0.168 -0.0127 0.5236 -0.6346 3902SOL H126809 3.613 5.993 0.156 0.6442 1.4529 -1.3425 3902SOL H226810 3.548 6.117 0.097 -1.3280 0.8297 -0.5442 3903SOL OH226811 1.074 3.221 8.122 -0.1457 -0.4502 0.1902 3903SOL H126812 0.979 3.230 8.125 -0.1578 -0.7624 2.5607 3903SOL H226813 1.103 3.242 8.211 1.9685 -0.7754 -0.3714 3904SOL OH226814 4.031 0.671 7.099 -0.1154 0.0801 -0.0071 3904SOL H126815 3.987 0.621 7.030 -0.2818 -0.9901 0.8591 3904SOL H226816 3.972 0.665 7.174 2.3372 -3.1845 1.8994 3905SOL OH226817 4.744 6.053 6.835 -0.0059 -0.5553 0.3890 3905SOL H126818 4.782 5.977 6.880 -0.9211 -2.3743 -1.7029 3905SOL H226819 4.656 6.024 6.811 -0.3529 1.1662 -0.5577 3906SOL OH226820 5.259 0.074 8.045 0.6509 -0.0654 -0.1652 3906SOL H126821 5.295 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-0.9664 3935SOL H226909 0.585 4.102 0.380 0.0734 -1.5674 1.3090 3936SOL OH226910 4.392 1.577 2.098 0.0218 -1.0029 -0.5170 3936SOL H126911 4.416 1.573 2.190 -1.4152 3.1226 0.2239 3936SOL H226912 4.296 1.575 2.097 -0.2521 3.5079 -1.2993 3937SOL OH226913 1.605 3.766 7.077 -0.3357 0.2573 -0.1738 3937SOL H126914 1.680 3.720 7.114 1.2774 1.2510 -2.0059 3937SOL H226915 1.573 3.821 7.148 1.6272 0.8946 0.2852 3938SOL OH226916 1.418 5.222 0.272 -0.0242 0.4502 0.4992 3938SOL H126917 1.356 5.294 0.258 0.1115 0.1464 -2.1040 3938SOL H226918 1.372 5.163 0.332 -0.3765 2.3635 2.2384 3939SOL OH226919 0.761 4.347 6.439 -0.0949 0.4000 -0.8670 3939SOL H126920 0.834 4.335 6.500 -0.1907 0.7547 -0.6816 3939SOL H226921 0.803 4.363 6.355 0.0737 2.0329 -0.5021 3940SOL OH226922 5.455 3.930 0.414 0.2545 -0.0735 -0.0165 3940SOL H126923 5.418 3.848 0.381 1.9375 -0.4283 -1.1320 3940SOL H226924 5.455 3.988 0.338 -0.9529 1.0166 0.7718 3941SOL OH226925 4.549 4.080 2.005 -0.3864 -0.0030 0.6129 3941SOL H126926 4.509 4.136 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3947SOL H126944 1.195 2.304 7.690 -0.3338 -0.5099 -0.1744 3947SOL H226945 1.056 2.363 7.679 -0.1912 0.0522 0.8209 3948SOL OH226946 5.360 3.463 6.331 0.2036 0.1227 0.3362 3948SOL H126947 5.269 3.442 6.351 0.3747 0.3978 1.4343 3948SOL H226948 5.356 3.541 6.276 -0.2132 0.3381 0.6705 3949SOL OH226949 0.147 2.313 7.180 -0.3057 -0.0915 -0.1154 3949SOL H126950 0.059 2.348 7.192 -0.3636 -0.3408 0.1845 3949SOL H226951 0.162 2.256 7.255 0.1754 0.0735 -0.0784 3950SOL OH226952 5.864 5.656 1.918 0.3373 -0.7915 0.2799 3950SOL H126953 5.775 5.626 1.939 -0.2376 1.1445 0.9143 3950SOL H226954 5.888 5.713 1.992 0.1959 2.4079 -1.9051 3951SOL OH226955 5.794 0.190 7.367 0.3082 0.2610 0.3177 3951SOL H126956 5.831 0.219 7.450 1.0124 0.2545 0.0197 3951SOL H226957 5.700 0.184 7.383 0.5415 -0.8271 1.4394 3952SOL OH226958 3.271 0.132 1.949 0.4046 -0.4036 -0.7293 3952SOL H126959 3.262 0.228 1.946 1.9437 -0.2361 -0.7774 3952SOL H226960 3.298 0.113 2.039 -1.1069 -0.9456 -0.3555 3953SOL OH226961 0.044 2.065 6.711 -0.2709 0.3268 -0.1753 3953SOL H126962 0.117 2.064 6.649 0.8663 -2.0529 1.0551 3953SOL H226963 -0.009 1.989 6.687 -0.4376 0.0336 1.0357 3954SOL OH226964 3.325 5.642 1.287 -0.1541 -0.5598 -0.5136 3954SOL H126965 3.362 5.624 1.374 0.0122 0.0390 -0.4543 3954SOL H226966 3.283 5.728 1.297 -0.1283 -0.4863 -1.0260 3955SOL OH226967 2.762 5.672 2.081 -0.0098 -0.1753 -0.0681 3955SOL H126968 2.738 5.624 2.160 -0.1364 -0.2490 -0.1504 3955SOL H226969 2.778 5.762 2.110 2.7300 -0.7672 0.5361 3956SOL OH226970 2.196 0.531 1.901 -0.1608 -0.1293 0.7491 3956SOL H126971 2.282 0.562 1.874 -0.1414 -1.2695 -0.6315 3956SOL H226972 2.134 0.581 1.847 -0.2794 -0.3832 0.6478 3957SOL OH226973 0.590 3.482 7.914 0.0989 0.2782 -0.2290 3957SOL H126974 0.522 3.434 7.962 -1.3577 2.0790 -0.3686 3957SOL H226975 0.647 3.517 7.982 -0.3199 0.4778 0.0225 3958SOL OH226976 3.012 4.890 7.534 -0.0404 -0.4481 0.2018 3958SOL H126977 2.990 4.805 7.496 1.1828 -1.4768 1.6442 3958SOL H226978 2.992 4.954 7.465 -3.3361 -1.5967 -0.1090 3959SOL OH226979 5.140 4.915 2.142 -0.5440 -0.2655 0.0350 3959SOL H126980 5.199 4.868 2.201 -0.0515 0.3583 0.0498 3959SOL H226981 5.152 5.007 2.164 -1.0805 -0.0921 -0.3754 3960SOL OH226982 0.211 2.686 6.408 0.1097 -0.2955 0.4696 3960SOL H126983 0.232 2.764 6.357 -1.4271 -1.2508 -1.8147 3960SOL H226984 0.200 2.718 6.497 0.6531 1.8814 -0.1736 3961SOL OH226985 0.042 4.897 0.857 -0.0810 -0.3966 0.3017 3961SOL H126986 0.050 4.802 0.858 -1.7195 -0.5695 0.3160 3961SOL H226987 0.115 4.929 0.910 0.6359 -1.6276 0.0788 3962SOL OH226988 3.068 5.133 0.918 0.6015 -0.1363 0.1059 3962SOL H126989 3.148 5.169 0.880 0.5936 0.0129 0.2311 3962SOL H226990 3.063 5.171 1.005 -0.5271 1.2549 -0.5233 3963SOL OH226991 2.081 5.834 7.964 -0.0501 -0.1487 0.3711 3963SOL H126992 1.989 5.861 7.967 0.0389 0.4793 -1.3863 3963SOL H226993 2.102 5.810 8.054 -1.0980 2.4933 1.4208 3964SOL OH226994 5.471 2.111 7.684 0.1328 1.2714 0.7044 3964SOL H126995 5.388 2.141 7.722 -0.0633 0.2707 1.1003 3964SOL H226996 5.464 2.016 7.684 1.0589 1.1927 0.2163 3965SOL OH226997 1.135 4.306 0.054 0.0534 0.1384 0.3695 3965SOL H126998 1.229 4.310 0.072 -0.0703 2.1824 0.8231 3965SOL H226999 1.126 4.338 -0.036 -0.2852 1.2698 0.7834 3966SOL OH227000 4.898 0.911 2.280 -0.7180 0.0456 -0.2863 3966SOL H127001 4.963 0.881 2.217 0.8146 -0.8268 1.6283 3966SOL H227002 4.936 0.991 2.317 -0.7589 -0.3946 0.7472 3967SOL OH227003 4.988 3.257 6.634 0.1352 -0.2661 0.1363 3967SOL H127004 4.931 3.292 6.702 -0.6744 -0.5949 -0.3615 3967SOL H227005 5.038 3.332 6.603 -0.8418 0.2516 -0.2040 3968SOL OH227006 5.267 1.101 2.321 -0.3313 -0.3469 0.2368 3968SOL H127007 5.201 1.146 2.267 1.4893 0.9344 -1.0579 3968SOL H227008 5.276 1.155 2.399 -0.1162 0.0218 -0.0423 3969SOL OH227009 3.354 1.265 0.806 -0.2628 -0.3787 0.2775 3969SOL H127010 3.399 1.185 0.780 0.4316 -0.1039 0.6275 3969SOL H227011 3.398 1.335 0.757 -0.4904 -0.1393 0.4116 3970SOL OH227012 0.252 4.840 7.791 0.1932 -0.1531 -0.3257 3970SOL H127013 0.298 4.836 7.707 1.7414 -2.0475 0.5540 3970SOL H227014 0.169 4.796 7.775 1.0355 -1.7129 -0.5778 3971SOL OH227015 0.336 5.982 0.442 -0.5190 -0.6993 0.1353 3971SOL H127016 0.297 5.932 0.514 0.7279 -2.6665 -0.4901 3971SOL H227017 0.389 6.049 0.486 0.0187 -1.7096 1.0761 3972SOL OH227018 3.171 3.897 6.992 -0.5436 -0.1604 -0.5978 3972SOL H127019 3.156 3.896 7.087 -1.1128 -0.6735 -0.6857 3972SOL H227020 3.127 3.818 6.961 1.9551 -1.5215 -0.9468 3973SOL OH227021 3.759 1.426 0.722 -0.1819 0.2052 -0.2950 3973SOL H127022 3.741 1.509 0.766 2.8519 1.3544 -0.9234 3973SOL H227023 3.790 1.452 0.635 -1.9421 -1.7949 -1.6259 3974SOL OH227024 3.187 1.539 7.058 -0.3364 0.3678 0.3767 3974SOL H127025 3.231 1.455 7.065 0.2804 0.6645 0.1056 3974SOL H227026 3.140 1.535 6.975 -0.9192 0.0143 0.7126 3975SOL OH227027 4.887 5.628 1.713 -0.4235 0.1428 0.1259 3975SOL H127028 4.905 5.574 1.790 -0.9130 0.9653 0.8278 3975SOL H227029 4.843 5.705 1.747 -0.5047 0.5984 -0.9670 3976SOL OH227030 3.440 4.774 6.319 -0.4370 0.5182 0.3603 3976SOL H127031 3.474 4.698 6.366 -0.1359 0.6978 0.4384 3976SOL H227032 3.345 4.764 6.322 -0.4352 0.7169 1.3252 3977SOL OH227033 4.299 6.047 0.359 0.3778 -0.1573 -0.0865 3977SOL H127034 4.349 6.070 0.438 0.1684 0.7620 -0.1997 3977SOL H227035 4.332 6.108 0.292 -0.7986 0.3884 -0.1864 3978SOL OH227036 2.684 5.228 1.276 -0.2134 -0.3337 -0.1802 3978SOL H127037 2.715 5.224 1.367 0.4710 -1.9649 -0.4555 3978SOL H227038 2.662 5.320 1.263 0.2606 0.0505 1.4488 3979SOL OH227039 1.669 0.562 1.058 0.2443 -0.0960 -0.2301 3979SOL H127040 1.589 0.514 1.077 1.0189 -1.7586 -0.9176 3979SOL H227041 1.691 0.607 1.140 -0.1126 -1.5700 0.7016 3980SOL OH227042 1.244 2.360 0.676 -0.1423 0.5828 0.4693 3980SOL H127043 1.304 2.385 0.605 -0.1717 1.7385 0.8225 3980SOL H227044 1.254 2.430 0.741 -2.8033 1.5402 -0.0043 3981SOL OH227045 4.478 2.371 0.841 0.6160 -0.4913 0.1577 3981SOL H127046 4.406 2.433 0.844 -0.8437 -2.1237 0.1344 3981SOL H227047 4.529 2.398 0.764 0.8635 1.5109 0.9639 3982SOL OH227048 5.370 2.605 7.187 0.5341 0.3222 -0.8608 3982SOL H127049 5.395 2.559 7.107 2.1162 0.6670 -0.5848 3982SOL H227050 5.423 2.565 7.256 -0.9163 -0.0824 0.0739 3983SOL OH227051 2.709 1.551 6.698 0.9831 0.3774 -0.2270 3983SOL H127052 2.689 1.496 6.774 2.4776 0.9974 0.6453 3983SOL H227053 2.677 1.500 6.623 -2.4584 0.6738 0.8710 3984SOL OH227054 2.577 4.645 8.033 0.5302 -0.2037 0.6340 3984SOL H127055 2.670 4.623 8.024 0.2581 -0.3722 -2.7995 3984SOL H227056 2.575 4.741 8.036 0.7766 -0.1790 0.0611 3985SOL OH227057 0.890 5.071 6.584 0.3921 0.6945 -0.7899 3985SOL H127058 0.813 5.027 6.550 0.1932 0.2054 0.2541 3985SOL H227059 0.935 5.105 6.507 -1.3231 1.7712 -1.3800 3986SOL OH227060 0.792 1.386 0.557 1.5791 -0.5437 0.0981 3986SOL H127061 0.876 1.411 0.595 1.2625 -0.0477 0.4804 3986SOL H227062 0.758 1.467 0.518 0.6724 -0.4185 1.1079 3987SOL OH227063 2.973 5.505 8.046 -0.2118 0.1157 -0.1367 3987SOL H127064 2.994 5.425 7.998 -2.6214 -1.2095 0.8734 3987SOL H227065 2.952 5.476 8.135 -3.3864 1.4971 -0.2868 3988SOL OH227066 4.391 5.906 6.142 -0.3952 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2.476 0.500 0.901 -0.5032 0.1743 -0.4984 3994SOL H127085 2.519 0.568 0.848 -2.0930 1.0894 -0.6702 3994SOL H227086 2.405 0.468 0.846 -1.8732 0.7790 0.8687 3995SOL OH227087 2.876 0.458 0.452 -0.1774 -0.2029 0.0055 3995SOL H127088 2.876 0.407 0.371 -1.3472 -0.2371 0.0023 3995SOL H227089 2.927 0.407 0.514 1.1321 0.0457 -0.8317 3996SOL OH227090 5.914 1.306 7.620 -0.5156 0.5873 -0.1192 3996SOL H127091 5.846 1.328 7.556 0.0832 -0.6077 -1.2314 3996SOL H227092 5.973 1.381 7.619 -2.7529 2.5743 2.3477 3997SOL OH227093 5.820 0.922 0.648 0.0313 0.7821 -0.5419 3997SOL H127094 5.744 0.970 0.681 0.9515 1.9491 -0.0282 3997SOL H227095 5.895 0.974 0.676 1.1469 -1.3738 0.7386 3998SOL OH227096 3.854 0.970 1.331 -0.8961 -0.3305 0.1300 3998SOL H127097 3.807 0.894 1.296 -1.2599 -1.3319 2.6192 3998SOL H227098 3.947 0.945 1.324 -0.9369 -0.3466 -0.4314 3999SOL OH227099 4.230 2.756 8.229 0.1427 -0.2524 -0.2236 3999SOL H127100 4.170 2.682 8.221 0.3419 -0.5399 0.8700 3999SOL H227101 4.181 2.830 8.193 0.5054 -1.1639 -2.8385 4000SOL OH227102 2.532 0.167 2.473 -0.4543 -0.4301 0.2029 4000SOL H127103 2.546 0.249 2.519 -0.9408 -1.5140 2.4491 4000SOL H227104 2.603 0.162 2.409 -1.3647 2.4591 -1.1878 4001SOL OH227105 4.368 3.184 1.831 0.0980 0.3001 0.8014 4001SOL H127106 4.411 3.269 1.822 -0.8068 0.6292 -0.7170 4001SOL H227107 4.275 3.204 1.830 -0.1202 -0.6461 1.3458 4002SOL OH227108 2.504 4.043 8.062 0.3545 0.0537 0.6542 4002SOL H127109 2.539 4.054 7.974 -0.3430 0.6393 0.4312 4002SOL H227110 2.430 4.105 8.066 -0.5009 -0.9695 1.1707 4003SOL OH227111 4.991 3.636 6.982 -0.2072 0.0639 -0.0345 4003SOL H127112 4.940 3.713 6.958 2.0684 1.4565 -0.6769 4003SOL H227113 4.966 3.570 6.917 -1.8926 0.3337 0.2811 4004SOL OH227114 3.622 4.188 8.290 -0.4159 -0.1285 0.0310 4004SOL H127115 3.643 4.109 8.241 0.0994 0.2900 -0.4472 4004SOL H227116 3.578 4.157 8.368 1.4324 -1.0425 0.7840 4005SOL OH227117 2.345 1.810 5.997 0.3018 -0.0700 -0.0697 4005SOL H127118 2.329 1.717 6.014 -1.9686 0.3600 0.3334 4005SOL H227119 2.409 1.836 6.063 -1.1138 -0.7246 1.6379 4006SOL OH227120 0.328 0.305 0.838 0.1996 0.1408 0.1667 4006SOL H127121 0.246 0.302 0.789 0.1406 0.8945 0.1976 4006SOL H227122 0.394 0.330 0.773 0.2329 0.5086 0.3396 4007SOL OH227123 5.522 1.135 8.240 -0.4805 -0.5416 -0.7684 4007SOL H127124 5.511 1.047 8.277 -1.3655 0.5449 1.8224 4007SOL H227125 5.436 1.156 8.205 -1.2249 0.4020 1.4537 4008SOL OH227126 5.413 1.909 0.094 -0.0139 0.3116 0.0535 4008SOL H127127 5.389 1.897 0.186 -2.9973 -0.9121 -0.7582 4008SOL H227128 5.508 1.899 0.093 -0.0714 -1.8639 2.7120 4009SOL OH227129 1.009 1.368 0.162 0.1180 -0.1169 0.4979 4009SOL H127130 0.992 1.313 0.239 0.3442 0.0390 0.6624 4009SOL H227131 1.102 1.353 0.143 0.8715 2.0335 2.0304 4010SOL OH227132 1.227 3.091 0.877 -0.2637 -0.1887 -0.1317 4010SOL H127133 1.210 3.182 0.851 2.4898 0.2888 -0.5046 4010SOL H227134 1.142 3.059 0.908 -1.0112 3.0147 1.6060 4011SOL OH227135 3.222 3.220 1.872 -0.2673 0.0117 -0.1720 4011SOL H127136 3.239 3.130 1.897 2.2242 0.5207 0.2157 4011SOL H227137 3.282 3.237 1.799 2.9132 2.6089 2.6778 4012SOL OH227138 3.314 5.017 8.185 0.6429 -0.0737 0.3501 4012SOL H127139 3.341 4.931 8.153 0.4884 0.7131 -2.1216 4012SOL H227140 3.369 5.033 8.262 1.2879 -1.9922 0.3325 4013SOL OH227141 3.361 5.529 1.546 -0.4121 -0.1851 -0.7861 4013SOL H127142 3.336 5.522 1.638 0.4009 -0.0128 -0.5398 4013SOL H227143 3.330 5.448 1.506 -0.0924 -0.6150 -0.1846 4014SOL OH227144 2.108 1.530 1.870 1.1240 0.4387 -0.2545 4014SOL H127145 2.199 1.556 1.886 1.3015 0.5345 -1.3378 4014SOL H227146 2.076 1.594 1.806 0.6232 -0.2219 -0.6807 4015SOL OH227147 1.218 3.456 7.299 -0.4140 -0.4445 -0.2551 4015SOL H127148 1.252 3.428 7.214 -0.3286 0.0156 -0.3765 4015SOL H227149 1.124 3.468 7.286 -0.2966 0.3145 -0.4828 4016SOL OH227150 5.066 4.303 2.237 -0.3847 0.2511 -0.3415 4016SOL H127151 4.982 4.346 2.219 -0.1359 1.8355 1.8562 4016SOL H227152 5.131 4.373 2.229 0.9666 -1.1389 -2.9927 4017SOL OH227153 0.172 1.454 7.680 0.1710 -0.7316 0.5595 4017SOL H127154 0.218 1.536 7.698 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OH227225 0.593 5.781 7.880 -0.5026 -0.0763 0.6400 4041SOL H127226 0.565 5.872 7.887 -1.6488 -0.3758 0.1050 4041SOL H227227 0.535 5.743 7.814 0.7833 -0.8868 -0.0471 4042SOL OH227228 1.961 0.415 0.036 0.0342 -0.0048 0.1533 4042SOL H127229 1.886 0.363 0.066 -0.0089 0.0672 0.1707 4042SOL H227230 1.963 0.403 -0.059 -0.1129 0.1441 0.1315 4043SOL OH227231 2.574 5.767 5.763 -0.2154 -0.1038 0.3743 4043SOL H127232 2.572 5.839 5.700 -0.9542 -0.2286 0.2506 4043SOL H227233 2.585 5.809 5.848 -2.1543 0.2877 0.4761 4044SOL OH227234 5.367 1.961 1.246 0.0561 0.2764 -0.8815 4044SOL H127235 5.275 1.987 1.236 -0.0392 0.5868 0.5990 4044SOL H227236 5.370 1.916 1.330 1.5372 1.6091 -0.1898 4045SOL OH227237 0.609 4.507 0.055 0.0605 0.0860 0.0729 4045SOL H127238 0.677 4.535 -0.007 1.1845 -0.4664 0.9976 4045SOL H227239 0.622 4.565 0.131 0.2849 -0.7829 0.7137 4046SOL OH227240 0.739 0.218 8.403 0.0111 -0.6295 0.4193 4046SOL H127241 0.743 0.124 8.418 -2.4556 -0.8171 0.3535 4046SOL H227242 0.650 0.243 8.429 -0.3445 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H227260 3.860 4.869 0.254 1.1616 0.3880 -0.9739 4053SOL OH227261 4.575 0.346 8.076 -0.1597 -0.2514 0.1041 4053SOL H127262 4.651 0.381 8.030 -0.1244 -0.5179 -0.0418 4053SOL H227263 4.529 0.294 8.010 -0.5707 0.0597 0.1399 4054SOL OH227264 5.869 4.616 6.861 0.4930 -0.2653 0.1763 4054SOL H127265 5.911 4.697 6.833 -0.8611 0.1208 -0.8629 4054SOL H227266 5.779 4.642 6.882 1.2457 -0.5732 4.8116 4055SOL OH227267 2.402 3.538 0.693 -0.3922 -0.1750 0.3707 4055SOL H127268 2.320 3.538 0.644 -0.0010 0.2038 -0.3070 4055SOL H227269 2.409 3.626 0.729 -0.2132 -0.1575 0.2957 4056SOL OH227270 4.875 4.475 1.950 -0.2548 -0.4525 -0.0673 4056SOL H127271 4.963 4.509 1.934 0.7370 -2.9469 -0.4091 4056SOL H227272 4.833 4.474 1.864 -0.1977 -0.3145 -0.0962 4057SOL OH227273 4.649 2.742 0.322 0.5443 0.3339 -0.9205 4057SOL H127274 4.729 2.747 0.269 1.0942 2.1756 -0.0057 4057SOL H227275 4.588 2.800 0.277 0.2931 0.2432 -0.6944 4058SOL OH227276 2.392 5.798 7.682 -0.2944 0.1510 -0.0314 4058SOL H127277 2.345 5.799 7.598 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H127295 0.700 3.880 1.190 1.1950 -0.9676 0.6284 4064SOL H227296 0.740 3.737 1.162 -0.6406 -0.9795 -2.4096 4065SOL OH227297 2.402 3.454 0.388 -0.7918 -0.8551 -0.3352 4065SOL H127298 2.323 3.486 0.433 -0.3640 -0.6906 0.3230 4065SOL H227299 2.431 3.380 0.441 0.9428 0.6451 0.9921 4066SOL OH227300 5.604 5.190 0.761 0.0004 -0.7777 0.6263 4066SOL H127301 5.632 5.206 0.851 2.9833 1.6106 -0.5674 4066SOL H227302 5.669 5.131 0.724 0.1461 0.0816 -0.5705 4067SOL OH227303 1.548 0.825 2.203 0.0790 -0.1422 0.0842 4067SOL H127304 1.554 0.911 2.161 -1.8561 -0.0384 -0.1149 4067SOL H227305 1.494 0.841 2.281 1.1655 -0.8814 1.0218 4068SOL OH227306 2.834 3.249 0.455 -0.2952 -0.0370 -0.2570 4068SOL H127307 2.796 3.168 0.489 1.1723 -0.5230 0.3246 4068SOL H227308 2.782 3.319 0.493 -1.5292 -0.6904 -0.6907 4069SOL OH227309 2.005 1.890 0.684 -0.0797 -0.2092 0.5569 4069SOL H127310 2.003 1.952 0.612 0.7165 -0.9938 -0.1634 4069SOL H227311 1.959 1.935 0.755 -0.7912 0.6106 -0.3932 4070SOL OH227312 3.666 2.236 6.905 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4076SOL OH227330 1.670 4.043 7.433 -0.4609 -0.4159 0.4009 4076SOL H127331 1.670 3.985 7.508 -0.5398 -1.8390 -0.6588 4076SOL H227332 1.717 3.995 7.365 -0.5538 0.7491 -0.5258 4077SOL OH227333 2.104 0.976 7.992 0.0705 0.3405 0.1128 4077SOL H127334 2.039 0.987 8.060 -0.1842 -1.3577 0.2004 4077SOL H227335 2.188 0.983 8.037 -0.0945 -0.4593 0.5688 4078SOL OH227336 2.370 4.819 8.295 -0.3150 -0.4430 -0.0444 4078SOL H127337 2.350 4.903 8.253 0.3287 -0.6689 -0.8455 4078SOL H227338 2.286 4.787 8.327 -0.7705 -0.0847 -0.8510 4079SOL OH227339 5.782 4.435 8.364 -0.0046 -0.1647 -0.0981 4079SOL H127340 5.869 4.421 8.402 0.3933 0.7525 -0.6293 4079SOL H227341 5.723 4.441 8.439 0.7715 1.6607 0.4136 4080SOL OH227342 2.410 1.814 6.477 0.2317 -0.2650 0.1469 4080SOL H127343 2.317 1.799 6.497 -0.0192 0.2767 -0.5703 4080SOL H227344 2.425 1.905 6.501 -0.0469 0.3698 -1.9091 4081SOL OH227345 3.062 0.690 6.825 -0.8448 0.4787 0.0718 4081SOL H127346 2.988 0.647 6.868 0.0802 -0.7725 0.4775 4081SOL H227347 3.131 0.623 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H129875 3.358 2.263 5.997 -1.3927 -0.6898 -1.5813 4924SOL H229876 3.224 2.334 6.007 -0.6733 0.3723 2.1853 4925SOL OH229877 0.455 2.722 2.379 0.3381 -0.8066 -0.0196 4925SOL H129878 0.494 2.771 2.451 0.9044 0.0638 -0.8896 4925SOL H229879 0.454 2.632 2.410 -1.5262 -0.1853 1.9667 4926SOL OH229880 2.686 5.197 0.568 -0.2554 0.1426 0.4888 4926SOL H129881 2.726 5.229 0.487 0.9440 0.5506 1.2131 4926SOL H229882 2.622 5.132 0.539 0.5015 -0.0798 -0.7625 4927SOL OH229883 4.906 0.315 2.103 0.5552 -0.7789 -0.3448 4927SOL H129884 4.915 0.321 2.199 -1.2172 -1.3502 -0.1043 4927SOL H229885 4.906 0.406 2.074 2.2609 -0.6208 0.0451 4928SOL OH229886 5.890 1.004 7.382 -0.3263 0.5713 0.1384 4928SOL H129887 5.848 0.922 7.406 -0.9566 0.3508 -1.5723 4928SOL H229888 5.823 1.071 7.397 0.1227 0.7718 1.3467 4929SOL OH229889 2.138 3.507 1.016 0.4909 0.3584 0.9484 4929SOL H129890 2.221 3.531 1.056 1.0797 2.2257 -1.1592 4929SOL H229891 2.097 3.591 0.993 -1.2235 -0.5532 0.4786 4930SOL OH229892 5.917 4.229 8.204 0.5098 -0.6805 -0.2631 4930SOL H129893 5.880 4.315 8.224 0.8283 0.0035 -2.3381 4930SOL H229894 6.006 4.233 8.241 -0.0638 -0.8302 1.2116 4931SOL OH229895 5.053 1.743 2.419 0.1944 0.0820 -0.5927 4931SOL H129896 5.027 1.662 2.463 0.7286 0.2983 0.1195 4931SOL H229897 5.147 1.749 2.431 0.5073 -0.2816 -2.4972 4932SOL OH229898 1.377 5.698 0.096 0.0567 0.2121 -0.0497 4932SOL H129899 1.341 5.677 0.010 1.1653 -0.6153 -0.3343 4932SOL H229900 1.467 5.664 0.094 1.2534 3.0606 0.2755 4933SOL OH229901 3.747 5.999 7.049 -0.6879 -0.3010 0.5769 4933SOL H129902 3.734 6.082 7.094 -0.5473 0.7401 -1.1891 4933SOL H229903 3.715 5.933 7.110 -0.8936 1.0427 1.9915 4934SOL OH229904 0.266 0.583 0.986 0.2522 -0.1239 0.8523 4934SOL H129905 0.302 0.519 1.048 -0.2411 -0.2479 1.0150 4934SOL H229906 0.340 0.637 0.961 1.3531 -2.4328 -1.3800 4935SOL OH229907 0.716 2.042 1.246 0.4446 -0.2355 -0.0027 4935SOL H129908 0.712 1.947 1.261 0.2332 -0.6440 -2.2902 4935SOL H229909 0.769 2.051 1.168 0.4974 1.5705 0.2178 4936SOL OH229910 4.535 5.342 6.658 -0.1546 -0.5071 0.3913 4936SOL H129911 4.529 5.283 6.733 -0.6400 -1.7671 -0.6126 4936SOL H229912 4.588 5.295 6.594 -1.2244 -0.2270 -0.7478 4937SOL OH229913 4.424 2.453 7.979 0.1270 0.6905 0.7280 4937SOL H129914 4.403 2.410 8.062 0.7378 -0.2491 0.4057 4937SOL H229915 4.343 2.499 7.955 -0.9628 -1.2394 0.5007 4938SOL OH229916 3.175 4.939 1.297 -0.5386 -0.0509 0.9415 4938SOL H129917 3.263 4.907 1.317 -0.1190 0.1706 -0.4532 4938SOL H229918 3.117 4.881 1.347 0.4027 0.4463 2.7053 4939SOL OH229919 2.352 0.936 7.590 0.4945 -0.0315 1.1271 4939SOL H129920 2.422 0.994 7.617 0.7410 0.8270 -1.1806 4939SOL H229921 2.395 0.851 7.576 0.5820 -0.1619 2.1215 4940SOL OH229922 4.906 1.171 0.292 0.3479 -0.0556 -0.0254 4940SOL H129923 4.913 1.266 0.284 -0.6485 0.0130 -0.2444 4940SOL H229924 4.812 1.153 0.285 0.3105 -0.8816 1.8397 4941SOL OH229925 2.188 2.776 0.372 0.6179 -1.0740 0.0917 4941SOL H129926 2.143 2.693 0.388 1.2095 -1.4519 -0.1502 4941SOL H229927 2.271 2.750 0.332 1.6055 -0.4685 1.6634 4942SOL OH229928 2.074 0.337 7.801 -0.2548 0.0093 0.4325 4942SOL H129929 2.112 0.303 7.882 -0.5375 -1.9592 -0.1961 4942SOL H229930 1.980 0.320 7.809 -0.5123 1.2745 0.3330 4943SOL OH229931 3.349 3.793 8.194 -0.6954 -0.1563 0.4918 4943SOL H129932 3.263 3.822 8.222 -1.5459 -1.4636 -0.6425 4943SOL H229933 3.382 3.741 8.267 -1.3735 -0.6184 0.4729 4944SOL OH229934 0.788 4.076 6.491 0.6835 0.0744 -0.7411 4944SOL H129935 0.736 4.156 6.485 -4.0453 -2.2862 2.2510 4944SOL H229936 0.757 4.022 6.418 -1.7065 -1.4776 1.2464 4945SOL OH229937 0.263 6.027 1.029 -0.1922 -0.0212 -0.3671 4945SOL H129938 0.185 5.990 1.070 0.0212 1.0257 1.0714 4945SOL H229939 0.329 5.959 1.038 -0.3814 -0.1284 0.3347 4946SOL OH229940 3.227 0.537 0.541 -0.5862 -0.1591 0.2009 4946SOL H129941 3.294 0.581 0.594 -0.3746 0.2139 -0.3592 4946SOL H229942 3.215 0.595 0.466 -0.2385 -1.1112 -0.6102 4947SOL OH229943 3.943 3.944 1.447 0.0109 -0.1812 0.3053 4947SOL H129944 4.025 3.938 1.497 0.1086 2.8404 0.7214 4947SOL H229945 3.949 4.029 1.402 -2.4720 -0.3171 -0.4275 4948SOL OH229946 5.730 5.995 0.669 0.3758 -0.4265 -0.1472 4948SOL H129947 5.730 6.087 0.697 1.4295 -0.0572 -1.2913 4948SOL H229948 5.661 5.991 0.602 -1.9773 -1.2563 2.1451 4949SOL OH229949 5.480 1.457 0.285 -0.7940 0.3547 0.1784 4949SOL H129950 5.514 1.540 0.317 -1.9719 0.2513 1.7912 4949SOL H229951 5.430 1.481 0.206 -0.1862 1.0064 -0.0193 4950SOL OH229952 3.346 6.055 6.946 -0.3186 0.1780 0.1467 4950SOL H129953 3.269 6.005 6.917 -0.0253 0.4132 -1.1040 4950SOL H229954 3.310 6.132 6.990 -0.8733 1.0456 -1.7105 4951SOL OH229955 2.315 3.433 6.507 0.3886 -0.4598 0.3787 4951SOL H129956 2.259 3.358 6.523 1.0336 -1.9087 -3.1731 4951SOL H229957 2.260 3.509 6.527 -0.3994 -1.7428 3.7203 4952SOL OH229958 5.765 0.486 1.065 -0.3778 -0.1153 -0.0543 4952SOL H129959 5.778 0.402 1.020 0.1202 -0.0786 0.0105 4952SOL H229960 5.815 0.548 1.013 1.5581 -0.3484 1.4070 4953SOL OH229961 3.084 4.363 6.628 -0.3209 0.5056 -0.1406 4953SOL H129962 3.130 4.392 6.550 0.1894 0.4245 0.1196 4953SOL H229963 3.089 4.267 6.624 -0.7283 0.4886 -0.2610 4954SOL OH229964 1.818 1.169 2.244 0.4493 0.0973 -0.1138 4954SOL H129965 1.911 1.148 2.230 0.3492 -1.4232 1.2721 4954SOL H229966 1.818 1.262 2.267 1.7136 -0.0268 0.4888 4955SOL OH229967 5.792 1.900 8.274 0.3715 0.0440 -0.7263 4955SOL H129968 5.722 1.900 8.209 0.4413 0.5432 -0.8074 4955SOL H229969 5.800 1.808 8.301 -0.1312 -0.0580 -0.9086 4956SOL OH229970 0.139 5.847 0.011 0.0729 0.1310 -0.1161 4956SOL H129971 0.056 5.826 0.054 0.6254 -0.3473 0.7575 4956SOL H229972 0.145 5.942 0.015 0.3952 0.0699 1.4564 4957SOL OH229973 1.375 0.761 7.942 -0.5181 0.2153 0.4439 4957SOL H129974 1.467 0.738 7.956 -0.6731 -1.1410 -0.6562 4957SOL H229975 1.368 0.779 7.849 -1.3302 0.5494 0.5588 4958SOL OH229976 3.777 2.369 1.643 -0.4401 0.1992 1.2927 4958SOL H129977 3.823 2.419 1.710 -1.5405 2.6651 0.3152 4958SOL H229978 3.842 2.307 1.610 1.2201 1.4682 2.0708 4959SOL OH229979 3.300 0.916 8.056 -0.3780 0.1813 0.5024 4959SOL H129980 3.222 0.866 8.080 -0.1445 -0.1502 0.5710 4959SOL H229981 3.339 0.868 7.984 -1.2482 1.3459 -0.8177 4960SOL OH229982 4.126 6.043 0.646 -0.4265 0.5032 -0.0555 4960SOL H129983 4.147 6.026 0.738 1.0885 -2.0559 -0.7742 4960SOL H229984 4.208 6.073 0.608 -0.3468 -0.8923 -1.0566 4961SOL OH229985 2.306 5.908 0.663 0.6623 0.1726 -0.1637 4961SOL H129986 2.385 5.962 0.666 0.7117 0.1727 -1.1099 4961SOL H229987 2.237 5.963 0.698 0.4345 1.3799 -2.3138 4962SOL OH229988 5.377 0.279 0.330 0.1625 -0.5530 -0.5175 4962SOL H129989 5.403 0.275 0.238 -0.9040 -1.2774 -0.8111 4962SOL H229990 5.379 0.372 0.352 -0.8327 -0.2231 -1.6744 4963SOL OH229991 1.073 5.286 2.158 0.0294 0.2215 0.3719 4963SOL H129992 1.093 5.251 2.245 -0.2907 -0.3105 0.2345 4963SOL H229993 1.081 5.211 2.100 1.8389 0.8858 -0.3088 4964SOL OH229994 4.638 1.713 7.329 -0.6448 0.9412 0.0856 4964SOL H129995 4.651 1.708 7.234 0.0591 -0.9109 0.2439 4964SOL H229996 4.724 1.733 7.364 -0.8096 1.1581 0.3659 4965SOL OH229997 5.428 5.347 1.406 -0.2903 0.0727 -0.0180 4965SOL H129998 5.460 5.321 1.492 -0.5735 1.0853 0.4098 4965SOL H229999 5.466 5.434 1.392 -1.0695 0.3460 -0.4612 4966SOL OH230000 5.035 1.102 0.945 0.5254 0.1657 -0.4328 4966SOL H130001 5.058 1.187 0.906 0.5695 -0.4470 -1.7947 4966SOL H230002 5.014 1.123 1.036 1.5352 1.4904 -0.4632 4967SOL OH230003 4.404 0.662 8.014 0.2565 -0.4638 0.2795 4967SOL H130004 4.421 0.643 7.922 -3.3298 -1.1119 -0.3764 4967SOL H230005 4.354 0.587 8.046 2.6398 -0.9775 3.2763 4968SOL OH230006 5.011 1.690 2.114 0.1771 -0.3169 0.3174 4968SOL H130007 5.047 1.612 2.072 -2.0733 -0.2230 -2.0004 4968SOL H230008 4.964 1.657 2.190 -0.0651 -1.1315 -0.1718 4969SOL OH230009 3.867 4.602 7.113 -0.2861 0.3614 0.6315 4969SOL H130010 3.880 4.683 7.163 2.2512 -0.8591 2.1329 4969SOL H230011 3.908 4.619 7.028 -1.3338 1.1910 0.2634 4970SOL OH230012 2.571 3.187 1.620 0.0315 -0.4501 0.5674 4970SOL H130013 2.524 3.204 1.702 0.2715 0.4589 0.5203 4970SOL H230014 2.607 3.099 1.631 1.3097 0.2115 2.0499 4971SOL OH230015 3.797 2.089 1.012 0.5400 0.1636 -0.0536 4971SOL H130016 3.858 2.104 0.939 0.5909 0.1697 -0.0098 4971SOL H230017 3.815 1.999 1.040 0.1718 -0.0155 -0.3759 4972SOL OH230018 0.408 5.489 1.590 -0.4870 0.1607 -0.0988 4972SOL H130019 0.383 5.506 1.681 -0.1230 -0.5853 0.1497 4972SOL H230020 0.504 5.491 1.590 -0.4821 0.0900 -0.4537 4973SOL OH230021 4.089 2.187 0.243 0.3894 -0.5168 0.0114 4973SOL H130022 4.153 2.120 0.219 -0.3131 -0.2632 -2.9882 4973SOL H230023 4.014 2.138 0.278 1.2732 -0.9735 1.3347 4974SOL OH230024 0.710 4.901 8.475 -0.2515 0.5335 0.6395 4974SOL H130025 0.789 4.851 8.457 -0.8622 -0.5789 0.9082 4974SOL H230026 0.639 4.847 8.439 -0.9265 1.2723 0.8305 4975SOL OH230027 3.142 2.437 6.510 -0.5375 -0.3829 -0.2481 4975SOL H130028 3.047 2.429 6.514 -0.7889 1.8813 -0.4101 4975SOL H230029 3.170 2.359 6.463 -2.1453 -1.8359 1.0412 4976SOL OH230030 4.474 0.218 6.790 -0.2277 0.6279 0.6965 4976SOL H130031 4.493 0.224 6.696 -0.7202 -0.6733 0.4968 4976SOL H230032 4.426 0.298 6.810 0.1783 1.0791 -0.0776 4977SOL OH230033 1.402 5.978 8.276 0.1489 0.5965 -0.5650 4977SOL H130034 1.353 6.033 8.215 -0.7294 0.8105 0.2911 4977SOL H230035 1.413 6.033 8.354 3.9132 1.4537 -1.5050 4978SOL OH230036 2.186 4.741 1.811 0.3041 -0.2130 -0.0564 4978SOL H130037 2.135 4.821 1.824 0.3310 -0.4717 1.9055 4978SOL H230038 2.234 4.729 1.893 1.7512 -1.2350 -1.0092 4979SOL OH230039 1.764 3.978 0.574 0.0658 -0.2469 0.1110 4979SOL H130040 1.698 4.029 0.621 -0.3937 1.9652 -2.7162 4979SOL H230041 1.847 4.008 0.611 -0.3246 0.2616 0.5997 4980SOL OH230042 4.106 3.023 1.611 0.2504 -0.2886 -0.4436 4980SOL H130043 4.171 3.065 1.555 -0.2310 -0.5599 -1.2190 4980SOL H230044 4.143 2.937 1.632 1.7104 0.8125 1.9828 4981SOL OH230045 4.629 4.169 7.803 -0.5283 -0.1883 -0.4194 4981SOL H130046 4.608 4.081 7.773 -0.1862 -0.2967 -0.3429 4981SOL H230047 4.621 4.223 7.725 -1.3888 -0.1731 -0.3303 4982SOL OH230048 2.700 5.526 1.168 0.0959 -0.2794 0.8198 4982SOL H130049 2.630 5.553 1.108 1.2614 3.6448 0.9461 4982SOL H230050 2.676 5.564 1.252 2.9651 2.6949 0.5028 4983SOL OH230051 1.756 3.722 1.243 -0.8349 0.1598 -0.1550 4983SOL H130052 1.708 3.640 1.234 1.0022 -0.9567 -0.3756 4983SOL H230053 1.846 3.700 1.216 -0.4775 2.4593 -1.1145 4984SOL OH230054 2.632 2.358 0.640 0.0439 -0.3638 -0.2571 4984SOL H130055 2.610 2.442 0.680 1.3829 -1.2456 2.6276 4984SOL H230056 2.565 2.298 0.675 0.6724 -0.9786 -0.0884 4985SOL OH230057 1.563 0.538 1.761 0.1849 0.0405 -0.8691 4985SOL H130058 1.599 0.594 1.829 1.1847 0.7812 -1.9578 4985SOL H230059 1.573 0.449 1.795 0.1294 0.4195 0.1714 4986SOL OH230060 1.047 1.320 7.332 0.0432 0.4514 0.5165 4986SOL H130061 1.018 1.380 7.401 -0.4994 -0.2737 0.9383 4986SOL H230062 1.092 1.375 7.269 -0.8176 1.3700 0.6831 4987SOL OH230063 4.039 5.338 0.774 0.5896 -0.9085 0.2448 4987SOL H130064 3.965 5.298 0.819 0.6870 0.1943 1.4187 4987SOL H230065 4.005 5.420 0.739 0.3532 -1.9879 -2.2861 4988SOL OH230066 3.235 4.240 1.983 0.2701 0.4207 0.3659 4988SOL H130067 3.194 4.214 1.900 -0.7508 -0.1882 1.0535 4988SOL H230068 3.176 4.209 2.051 0.3760 2.1379 1.3103 4989SOL OH230069 0.688 1.935 7.467 0.1424 -0.0692 0.4453 4989SOL H130070 0.660 1.956 7.556 0.7443 -1.3125 0.9550 4989SOL H230071 0.661 2.010 7.414 -2.0559 -0.2133 1.2985 4990SOL OH230072 4.439 0.767 7.231 0.2819 -0.4243 0.2018 4990SOL H130073 4.420 0.839 7.291 -2.9885 -1.6350 0.8251 4990SOL H230074 4.400 0.795 7.148 -1.1429 -1.4711 0.4885 4991SOL OH230075 5.703 5.171 7.521 -0.5243 -0.1406 -0.5667 4991SOL H130076 5.716 5.087 7.565 1.3019 1.0978 1.4306 4991SOL H230077 5.610 5.190 7.532 -0.2887 -0.2631 2.1792 4992SOL OH230078 3.741 3.121 0.581 -0.3145 -0.0577 0.5678 4992SOL H130079 3.756 3.136 0.488 -2.7084 -0.2194 0.0780 4992SOL H230080 3.753 3.027 0.592 2.1033 0.2302 0.9442 4993SOL OH230081 5.216 1.842 3.020 0.4542 0.5008 0.1284 4993SOL H130082 5.177 1.895 3.090 0.7682 0.7569 0.1121 4993SOL H230083 5.292 1.801 3.060 -1.4242 -2.4014 1.0517 4994SOL OH230084 3.268 4.152 6.981 -0.0241 0.8161 0.1312 4994SOL H130085 3.248 4.059 6.980 -0.9110 0.9231 -2.6641 4994SOL H230086 3.187 4.194 7.008 0.3450 0.7985 1.2916 4995SOL OH230087 5.552 5.632 1.216 0.3808 -0.3913 0.3071 4995SOL H130088 5.637 5.588 1.222 0.4982 -0.0225 3.0115 4995SOL H230089 5.569 5.721 1.246 -0.8687 -0.1869 0.4798 4996SOL OH230090 5.915 2.413 1.195 0.4586 -1.2516 -0.1625 4996SOL H130091 5.823 2.389 1.182 -0.7933 0.8036 3.4099 4996SOL H230092 5.939 2.369 1.277 0.4290 3.0944 2.4855 4997SOL OH230093 1.040 0.133 6.519 0.3261 0.0081 0.3564 4997SOL H130094 1.013 0.045 6.493 1.3359 -0.4530 0.8346 4997SOL H230095 0.983 0.154 6.593 -0.5584 0.1595 -0.3360 4998SOL OH230096 3.817 5.752 6.871 0.3425 0.2771 -0.5410 4998SOL H130097 3.737 5.708 6.897 1.7636 -2.5662 -0.5494 4998SOL H230098 3.843 5.803 6.948 -0.7388 0.1368 -0.0764 4999SOL OH230099 5.261 1.685 2.783 0.1186 0.3291 -0.3671 4999SOL H130100 5.176 1.660 2.748 -0.2827 2.2726 -0.8989 4999SOL H230101 5.241 1.725 2.868 0.6472 -0.2647 0.0511 5000SOL OH230102 3.047 1.716 6.383 0.2262 0.3442 0.3261 5000SOL H130103 3.002 1.683 6.461 -1.2941 2.1450 0.2672 5000SOL H230104 3.016 1.661 6.312 -1.3897 1.0897 0.4120 5001SOL OH230105 2.236 0.228 0.735 0.7006 -0.7080 0.2990 5001SOL H130106 2.328 0.251 0.744 0.9022 -1.8661 1.7537 5001SOL H230107 2.211 0.258 0.648 1.6270 2.3513 0.9901 5002SOL OH230108 1.700 4.400 0.751 -0.3772 -0.5483 0.0685 5002SOL H130109 1.787 4.372 0.779 0.4630 1.0520 -0.7655 5002SOL H230110 1.663 4.443 0.828 0.0413 -0.2259 0.0936 5003SOL OH230111 0.104 1.791 1.938 0.2105 -0.1299 -0.1497 5003SOL H130112 0.189 1.829 1.960 -0.1830 0.3273 0.6120 5003SOL H230113 0.123 1.698 1.923 1.2187 0.3739 -2.2872 5004SOL OH230114 5.425 1.651 2.583 0.4983 0.3589 -0.2389 5004SOL H130115 5.352 1.662 2.644 0.5487 0.3160 -0.1718 5004SOL H230116 5.482 1.726 2.599 0.6399 0.2134 -0.0569 5005SOL OH230117 5.564 4.690 6.874 -0.3090 -0.1592 -0.0388 5005SOL H130118 5.540 4.783 6.866 0.4179 0.0085 -0.3157 5005SOL H230119 5.577 4.678 6.968 0.5879 0.2781 -0.0999 5006SOL OH230120 4.124 0.559 1.738 0.1084 0.1899 -0.7110 5006SOL H130121 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