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17.131551 20.686007 0.119868 H 22.108420 19.496447 20.524305 0.119177 H 22.098760 21.403981 20.630791 0.122963 H 22.098760 23.757722 20.307388 0.126691 H 17.152502 5.535753 6.416803 0.119866 H 18.649904 4.035383 5.355881 0.119177 H 19.664273 2.707917 4.429053 0.122963 H 21.287264 1.291211 3.427291 0.126692 H 32.889717 6.539718 9.256446 0.119860 H 33.440375 6.221796 11.539992 0.119177 H 34.073148 5.845309 13.302936 0.122963 H 34.488556 5.605473 15.629866 0.126691 H 15.413583 10.906967 3.080223 0.119860 H 14.862925 12.953940 2.019301 0.119178 H 14.230152 14.490565 1.076698 0.122964 H 13.814744 16.604470 0.074935 0.126694 H 20.369502 24.209506 6.416803 0.119858 H 18.321442 23.662903 5.355881 0.119178 H 16.664639 23.448166 4.429053 0.122963 H 14.626239 22.750968 3.427291 0.126694 H 27.933798 14.119656 20.686007 0.119858 H 29.981858 12.937208 20.524305 0.119178 H 31.638662 11.991807 20.630791 0.122963 H 33.677061 10.814937 20.307388 0.126692 H 34.932947 12.086626 6.416803 0.119868 H 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-0.141481 C 76.228887 45.454248 18.826041 -0.142100 C 78.702499 46.885735 18.856804 -0.156281 C 79.930369 47.594646 19.031521 -0.100287 C 82.972511 46.465743 29.736184 -0.141455 C 83.326574 46.665141 28.375128 -0.142109 C 84.127925 47.124455 25.670368 -0.156281 C 84.394560 47.278397 24.275394 -0.100287 C 69.907434 32.596521 35.930549 -0.141443 C 68.681013 32.900778 36.579328 -0.142112 C 66.207401 33.406944 37.918693 -0.156280 C 64.979531 33.807972 38.528821 -0.100291 C 21.604134 23.179326 3.508930 -0.141443 C 20.377713 22.875069 2.860151 -0.142111 C 17.904101 22.368903 1.520786 -0.156281 C 16.676231 21.967875 0.910658 -0.100287 C 34.669211 9.310104 9.703295 -0.141456 C 35.023274 9.110706 11.064351 -0.142108 C 35.824625 8.651392 13.769111 -0.156279 C 36.091260 8.497450 15.164085 -0.100287 C 26.699166 11.034694 20.684035 -0.141481 C 27.925587 10.321599 20.613438 -0.142099 C 30.399199 8.890112 20.582675 -0.156279 C 31.627069 8.181201 20.407958 -0.100290 C 13.634089 12.251723 5.543219 -0.141489 C 13.280026 13.468473 4.901538 -0.142100 C 12.478675 15.865440 3.566906 -0.156282 C 12.212040 17.129320 2.956778 -0.100290 C 22.905908 25.369365 9.703295 -0.141459 C 22.901561 25.775692 11.064351 -0.142108 C 22.898662 26.699340 13.769111 -0.156282 C 22.898662 27.007223 15.164085 -0.100287 C 17.427348 7.120066 3.508930 -0.141445 C 18.304053 6.210083 2.860151 -0.142111 C 19.979211 4.320955 1.520786 -0.156281 C 20.940447 3.458103 0.910658 -0.100289 C 30.875952 5.681607 5.543219 -0.141481 C 29.999247 4.766604 4.901538 -0.142100 C 28.324089 2.874129 3.566906 -0.156281 C 27.362853 2.011277 2.956778 -0.100286 C 25.397392 17.604810 20.684035 -0.141489 C 25.401739 19.023468 20.613438 -0.142098 C 25.404638 21.881423 20.582675 -0.156282 C 25.404638 23.299245 20.407958 -0.100285 C 27.944908 23.898556 5.543219 -0.141446 C 29.175676 23.596809 4.901538 -0.142110 C 31.652186 23.092316 3.566906 -0.156281 C 32.880056 22.691288 2.956778 -0.100290 C 20.358392 13.192382 20.684035 -0.141444 C 19.127624 12.486818 20.613438 -0.142111 C 16.651114 11.060351 20.582675 -0.156281 C 15.423244 10.351440 20.407958 -0.100287 C 14.879832 7.152416 9.703295 -0.141459 C 14.530116 6.945487 11.064351 -0.142108 C 13.731662 6.481153 13.769111 -0.156281 C 13.465028 6.327212 15.164085 -0.100287 C 33.423468 11.532493 3.508930 -0.141455 C 33.773184 12.746733 2.860151 -0.142108 C 34.571638 15.142027 1.520786 -0.156280 C 34.838272 16.405908 0.910658 -0.100292 C 32.811466 8.944215 4.801757 -0.219961 C 25.394977 24.661291 6.832101 -0.219958 C 22.908323 14.661797 20.973521 -0.219961 C 15.491834 7.508545 6.832101 -0.219961 C 32.811466 7.508545 6.832101 -0.219960 C 15.491834 8.944215 4.801757 -0.219962 C 22.908323 24.661291 6.832101 -0.219957 C 25.394977 14.661797 20.973521 -0.219961 C 34.054793 9.662050 6.832101 -0.219976 C 24.151650 12.508292 20.973521 -0.219944 C 14.248507 9.662050 6.832101 -0.219977 C 24.151650 23.943455 4.801757 -0.219941 C 72.454950 31.832392 34.637722 -0.219942 C 62.551807 46.113797 32.607378 -0.219976 C 72.454950 43.267555 18.465958 -0.219944 C 82.358093 46.113797 32.607378 -0.219977 C 73.698277 31.114556 32.607378 -0.219957 C 81.114766 46.831632 34.637722 -0.219962 C 63.795134 48.267302 32.607378 -0.219960 C 71.211623 41.114050 18.465958 -0.219961 C 71.211623 31.114556 32.607378 -0.219958 C 73.698277 41.114050 18.465958 -0.219961 C 81.114766 48.267302 32.607378 -0.219961 C 63.795134 46.831632 34.637722 -0.219961 C 32.401854 7.741688 5.474200 0.080959 C 31.329520 6.832541 4.831336 0.059320 C 29.663057 5.003093 3.537721 0.057223 C 28.783936 3.992993 2.823472 0.071201 C 26.944547 2.275655 1.609131 -0.040213 C 25.838401 1.405551 0.993875 0.588372 C 24.151650 24.909493 7.509277 0.081006 C 24.151650 25.199528 9.027697 0.059291 C 24.151650 26.066842 11.681974 0.057224 C 24.151650 26.569382 13.114021 0.071198 C 24.151650 27.224749 15.830218 -0.040210 C 24.151650 27.456218 17.348638 0.588369 C 24.151650 15.382979 20.981803 0.081012 C 24.151650 16.911237 20.749110 0.059320 C 24.151650 19.702818 20.682063 0.057221 C 24.151650 21.220479 20.678513 0.071198 C 24.151650 23.999789 20.390999 -0.040210 C 24.151650 25.508526 20.103091 0.588368 C 15.901446 7.741688 5.474200 0.080959 C 16.973780 6.832541 4.831336 0.059321 C 18.640243 5.003093 3.537721 0.057223 C 19.519364 3.992993 2.823472 0.071202 C 21.358753 2.275655 1.609131 -0.040214 C 22.464899 1.405551 0.993875 0.588370 C 33.648079 8.461196 7.509277 0.081007 C 33.899256 8.316179 9.027697 0.059287 C 34.650372 7.882522 11.681974 0.057224 C 35.085585 7.631251 13.114021 0.071202 C 35.653149 7.303568 15.830218 -0.040215 C 35.853607 7.187834 17.348638 0.588369 C 14.655221 9.900213 5.474200 0.081011 C 14.404044 11.283454 4.831336 0.059303 C 13.652928 13.641378 3.537721 0.057222 C 13.217715 14.907768 2.823472 0.071201 C 12.650151 17.359396 1.609131 -0.040209 C 12.449693 18.752397 0.993875 0.588366 C 22.905425 24.189985 5.474200 0.080952 C 21.581914 23.715890 4.831336 0.059304 C 19.164334 23.187414 3.537721 0.057224 C 17.850001 22.931124 2.823472 0.071200 C 15.443048 22.196835 1.609131 -0.040208 C 14.136444 21.673936 0.993875 0.588368 C 25.397875 13.224453 20.981803 0.080956 C 26.721386 12.460324 20.749110 0.059320 C 29.138966 11.064534 20.682063 0.057223 C 30.453299 10.305703 20.678513 0.071202 C 32.860252 8.916048 20.390999 -0.040215 C 34.166856 8.161680 20.103091 0.588369 C 33.648079 9.900213 5.474200 0.081010 C 33.899256 11.283454 4.831336 0.059303 C 34.650372 13.641378 3.537721 0.057222 C 35.085585 14.907768 2.823472 0.071202 C 35.653149 17.359396 1.609131 -0.040207 C 35.853607 18.752397 0.993875 0.588371 C 22.905425 13.224453 20.981803 0.080956 C 21.581914 12.460324 20.749110 0.059321 C 19.164334 11.064534 20.682063 0.057222 C 17.850001 10.305703 20.678513 0.071200 C 15.443048 8.916048 20.390999 -0.040211 C 14.136444 8.161680 20.103091 0.588367 C 14.655221 8.461196 7.509277 0.081007 C 14.404044 8.316179 9.027697 0.059288 C 13.652928 7.882522 11.681974 0.057224 C 13.217715 7.631251 13.114021 0.071201 C 12.650151 7.303568 15.830218 -0.040212 C 12.449693 7.187834 17.348638 0.588365 C 25.397875 24.189985 5.474200 0.080951 C 26.721386 23.715890 4.831336 0.059305 C 29.138966 23.187414 3.537721 0.057224 C 30.453299 22.931124 2.823472 0.071202 C 32.860252 22.196835 1.609131 -0.040207 C 34.166856 21.673936 0.993875 0.588371 C 73.701175 31.585862 33.965279 0.080952 C 75.024686 32.059957 34.608143 0.059304 C 77.442266 32.588433 35.901758 0.057224 C 78.756599 32.844723 36.616007 0.071200 C 81.163552 33.579012 37.830348 -0.040208 C 82.470156 34.101911 38.445604 0.588368 C 62.958521 47.314651 31.930202 0.081007 C 62.707344 47.459668 30.411782 0.059287 C 61.956228 47.893325 27.757505 0.057224 C 61.521015 48.144596 26.325458 0.071202 C 60.953451 48.472279 23.609261 -0.040215 C 60.752993 48.588013 22.090841 0.588369 C 71.208725 42.551394 18.457676 0.080956 C 69.885214 43.315523 18.690369 0.059321 C 67.467634 44.711313 18.757416 0.057223 C 66.153301 45.470144 18.760966 0.071202 C 63.746348 46.859799 19.048480 -0.040215 C 62.439744 47.614167 19.336388 0.588369 C 81.951379 45.875634 33.965279 0.081011 C 82.202556 44.492393 34.608143 0.059303 C 82.953672 42.134469 35.901758 0.057222 C 83.388885 40.868079 36.616007 0.071201 C 83.956449 38.416451 37.830348 -0.040210 C 84.156907 37.023450 38.445604 0.588366 C 72.454950 30.866354 31.930202 0.081006 C 72.454950 30.576319 30.411782 0.059291 C 72.454950 29.709005 27.757505 0.057224 C 72.454950 29.206465 26.325458 0.071198 C 72.454950 28.551098 23.609261 -0.040210 C 72.454950 28.319629 22.090841 0.588369 C 80.705154 48.034159 33.965279 0.080959 C 79.632820 48.943306 34.608143 0.059321 C 77.966357 50.772754 35.901758 0.057223 C 77.087236 51.782854 36.616007 0.071202 C 75.247847 53.500192 37.830348 -0.040214 C 74.141701 54.370296 38.445604 0.588370 C 64.204746 48.034159 33.965279 0.080959 C 65.277080 48.943306 34.608143 0.059320 C 66.943543 50.772754 35.901758 0.057223 C 67.822664 51.782854 36.616007 0.071201 C 69.662053 53.500192 37.830348 -0.040213 C 70.768199 54.370296 38.445604 0.588372 C 72.454950 40.392868 18.457676 0.081013 C 72.454950 38.864610 18.690369 0.059320 C 72.454950 36.073029 18.757416 0.057221 C 72.454950 34.555368 18.760966 0.071198 C 72.454950 31.776058 19.048480 -0.040210 C 72.454950 30.267321 19.336388 0.588369 C 71.208725 31.585862 33.965279 0.080951 C 69.885214 32.059957 34.608143 0.059305 C 67.467634 32.588433 35.901758 0.057224 C 66.153301 32.844723 36.616007 0.071202 C 63.746348 33.579012 37.830348 -0.040207 C 62.439744 34.101911 38.445604 0.588371 C 73.701175 42.551394 18.457676 0.080956 C 75.024686 43.315523 18.690369 0.059321 C 77.442266 44.711313 18.757416 0.057222 C 78.756599 45.470144 18.760966 0.071200 C 81.163552 46.859799 19.048480 -0.040211 C 82.470156 47.614167 19.336388 0.588367 C 81.951379 47.314651 31.930202 0.081007 C 82.202556 47.459668 30.411782 0.059288 C 82.953672 47.893325 27.757505 0.057224 C 83.388885 48.144596 26.325458 0.071201 C 83.956449 48.472279 23.609261 -0.040212 C 84.156907 48.588013 22.090841 0.588365 C 62.958521 45.875634 33.965279 0.081010 C 62.707344 44.492393 34.608143 0.059303 C 61.956228 42.134469 35.901758 0.057222 C 61.521015 40.868079 36.616007 0.071202 C 60.953451 38.416451 37.830348 -0.040207 C 60.752993 37.023450 38.445604 0.588371 O 49.658208 15.681101 39.282904 -0.518854 O 25.282430 27.585897 17.846759 -0.518845 O 71.324170 26.021385 20.059313 -0.518839 O 46.948392 42.263311 1.689982 -0.518846 O 59.552173 47.975595 17.846759 -0.518847 O 37.054427 32.817951 39.282904 -0.518848 O 61.430205 21.873614 1.689982 -0.518847 O 35.176395 8.884535 20.059313 -0.518836 O 36.531303 19.526845 1.689982 -0.518859 O 38.409335 48.757851 20.059313 -0.518833 O 60.075297 8.102279 17.846759 -0.518840 O 58.197265 35.164720 39.282904 -0.518856 O 58.197265 20.611127 0.156575 -0.518847 O 60.075297 47.673568 21.592720 -0.518845 O 38.409335 7.017996 19.380166 -0.518838 O 36.531303 36.249002 37.749497 -0.518848 O 25.282430 28.189950 21.592720 -0.518845 O 49.658208 40.094746 0.156575 -0.518847 O 46.948392 13.512536 37.749497 -0.518853 O 71.324170 29.754462 19.380166 -0.518839 O 61.430205 33.902233 37.749497 -0.518856 O 35.176395 46.891312 19.380166 -0.518834 O 59.552173 7.800252 21.592720 -0.518840 O 37.054427 22.957896 0.156575 -0.518860 O 46.948392 40.094746 0.156575 -0.518845 O 71.324170 28.189950 21.592720 -0.518839 O 25.282430 29.754462 19.380166 -0.518845 O 49.658208 13.512536 37.749497 -0.518855 O 37.054427 7.800252 21.592720 -0.518837 O 59.552173 22.957896 0.156575 -0.518848 O 35.176395 33.902233 37.749497 -0.518847 O 61.430205 46.891312 19.380166 -0.518846 O 60.075297 36.249002 37.749497 -0.518856 O 58.197265 7.017996 19.380166 -0.518838 O 36.531303 47.673568 21.592720 -0.518834 O 38.409335 20.611127 0.156575 -0.518860 O 38.409335 35.164720 39.282904 -0.518847 O 36.531303 8.102279 17.846759 -0.518837 O 58.197265 48.757851 20.059313 -0.518846 O 60.075297 19.526845 1.689982 -0.518848 O 71.324170 27.585897 17.846759 -0.518840 O 46.948392 15.681101 39.282904 -0.518855 O 49.658208 42.263311 1.689982 -0.518845 O 25.282430 26.021385 20.059313 -0.518844 O 35.176395 21.873614 1.689982 -0.518859 O 61.430205 8.884535 20.059313 -0.518838 O 37.054427 47.975595 17.846759 -0.518835 O 59.552173 32.817951 39.282904 -0.518857 The following XYZ coordinates are in angstroms. Other properties are in atomic units. The sperically averaged electron density of each atom fit to a function of the form exp(a - br) eigen_1, eigen_2 and eigen_3 are the three eigenvalues of traceless quadrupole moment tensor atom number atomic symbol X Y Z net charge C6 coefficient C8 coefficient C10 coefficient fluctuating dipole atomic polarizability isotropic forcefield polarizability a b squared Pearson coefficient wp_QDO m_QDO q_QDO dipole_x dipole_y dipole_z dipole Qxy Qxz Qyz Q(x^2-y^2) Q(3z^2 - R^2) eigen_1 eigen_2 eigen_3 static polarizability alpha(xx) alpha(xy) alpha(xz) alpha(yy) alpha(yz) alpha(zz) atomic spin moment 1 Cu 48.303300 14.704745 38.363570 0.845499 51.740498 0.73516760E+03 0.18479009E+05 12.111697 9.328070 0.966273 2.246086 0.996128 39.876399 96.028847 0.549016 0.443842 -1.117109 0.000000 0.079649 -0.112641 0.137956 -0.000001 -0.000001 0.080971 0.077627 -0.192138 -0.121301 0.050465 0.070836 17.893053 22.314516 -0.000292 -0.000207 18.352904 7.553545 13.011740 0.613068 2 Cu 25.469364 27.887924 19.719739 0.845466 51.742695 0.73520388E+03 0.18480178E+05 12.112093 9.328361 0.966181 2.246051 0.996128 39.876971 96.031390 0.549002 0.443848 -1.117103 0.137938 0.000002 0.000001 0.137938 0.000002 0.000001 -0.009606 -0.178547 0.192131 -0.121295 0.050459 0.070836 17.893635 7.670819 0.000008 0.000008 23.234975 0.650358 22.775110 0.612707 3 Cu 71.137236 27.887924 19.719739 0.845386 51.747229 0.73527906E+03 0.18482603E+05 12.112962 9.328987 0.965978 2.245976 0.996128 39.877979 96.036268 0.548968 0.443862 -1.117091 -0.137951 -0.000002 -0.000001 0.137951 0.000002 0.000001 -0.009607 -0.178505 0.192088 -0.121267 0.050444 0.070823 17.895027 7.671345 0.000009 0.000005 23.236824 0.650430 22.776910 -0.612694 4 Cu 48.303300 41.071102 1.075909 0.845418 51.744799 0.73524016E+03 0.18481355E+05 12.112546 9.328694 0.966061 2.246010 0.996128 39.877285 96.033450 0.548982 0.443858 -1.117095 -0.000000 -0.079655 0.112649 0.137966 -0.000002 -0.000001 0.080945 0.077610 -0.192083 -0.121265 0.050446 0.070819 17.894394 22.316196 -0.000291 -0.000206 18.354293 7.554162 13.012693 -0.613034 5 Cu 59.720268 47.662692 19.719739 0.845436 51.743625 0.73521918E+03 0.18480688E+05 12.112342 9.328546 0.966092 2.246024 0.996128 39.876889 96.032011 0.548987 0.443856 -1.117096 -0.068987 -0.119486 -0.000001 0.137972 -0.077292 -0.008318 0.004804 0.089254 0.192086 -0.121265 0.050444 0.070821 17.894025 19.344365 -6.739629 0.563246 11.562092 -0.325187 22.775619 0.613003 6 Cu 36.886332 34.479513 38.363570 0.845471 51.744143 0.73522734E+03 0.18480900E+05 12.112240 9.328440 0.966272 2.246072 0.996128 39.877802 96.033468 0.549006 0.443841 -1.117108 0.068962 -0.039815 -0.112614 0.137924 0.033622 0.070147 -0.040501 -0.038828 -0.192198 -0.121342 0.050484 0.070858 17.893952 19.344028 1.715372 6.541824 21.325457 -3.777168 13.012369 -0.612314 7 Cu 59.720268 21.296334 1.075909 0.845403 51.747622 0.73528536E+03 0.18482773E+05 12.112915 9.328931 0.966083 2.246004 0.996128 39.878547 96.037188 0.548979 0.443853 -1.117098 -0.068969 0.039820 0.112627 0.137939 0.033616 0.070128 -0.040489 -0.038821 -0.192151 -0.121310 0.050468 0.070843 17.895029 19.345202 1.715474 6.542256 21.326752 -3.777419 13.013133 0.612333 8 Cu 36.886332 8.113155 19.719739 0.845422 51.744513 0.73523460E+03 0.18481182E+05 12.112497 9.328663 0.966082 2.246018 0.996128 39.877171 96.033125 0.548982 0.443858 -1.117095 0.068984 0.119481 0.000001 0.137965 -0.077292 -0.008319 0.004804 0.089251 0.192083 -0.121263 0.050443 0.070820 17.894267 19.344627 -6.739726 0.563259 11.562244 -0.325191 22.775931 -0.612942 9 Cu 36.886332 21.296334 1.075909 0.845515 51.739932 0.73515791E+03 0.18478682E+05 12.111509 9.327931 0.966390 2.246122 0.996128 39.876595 96.028706 0.549028 0.443835 -1.117115 0.068968 0.039819 0.112621 0.137933 -0.033619 -0.070135 -0.040492 -0.038819 -0.192179 -0.121323 0.050473 0.070850 17.892692 19.342908 -1.715395 -6.541399 21.323691 -3.776686 13.011476 -0.613052 10 Cu 36.886332 47.662692 19.719739 0.845402 51.746743 0.73527205E+03 0.18482374E+05 12.112871 9.328923 0.966004 2.245987 0.996128 39.877871 96.035716 0.548972 0.443860 -1.117092 0.068976 -0.119469 -0.000000 0.137951 0.077306 0.008317 0.004802 0.089265 0.192120 -0.121285 0.050456 0.070829 17.894925 19.345090 6.739865 -0.563394 11.562565 -0.325279 22.777121 -0.612486 11 Cu 59.720268 8.113155 19.719739 0.845407 51.746081 0.73526128E+03 0.18482026E+05 12.112744 9.328834 0.966014 2.245991 0.996128 39.877728 96.035016 0.548977 0.443858 -1.117094 -0.068976 0.119470 -0.000000 0.137952 0.077307 0.008317 0.004802 0.089267 0.192125 -0.121287 0.050457 0.070831 17.894721 19.344866 6.739780 -0.563386 11.562439 -0.325272 22.776857 0.612508 12 Cu 59.720268 34.479513 38.363570 0.845433 51.744489 0.73523294E+03 0.18481111E+05 12.112420 9.328587 0.966162 2.246041 0.996128 39.877434 96.033354 0.548991 0.443852 -1.117100 -0.068981 -0.039826 -0.112642 0.137959 -0.033610 -0.070108 -0.040477 -0.038810 -0.192113 -0.121280 0.050451 0.070829 17.894155 19.344504 -1.715534 -6.541989 21.325450 -3.777028 13.012510 0.613009 13 H 31.150798 7.895071 3.080223 0.119858 1.070080 0.73955146E+01 0.69951345E+02 1.621621 1.507962 -0.815723 2.495924 0.999489 3.154424 8.184628 0.561610 1.153038 -0.740546 0.010516 0.031903 -0.020371 0.039285 0.007880 0.006556 -0.010150 -0.011528 0.018176 -0.017693 0.003011 0.014682 1.721116 1.561563 0.456395 0.033838 2.097110 -0.145952 1.504675 -0.000001 14 H 29.653396 6.394701 2.019301 0.119178 1.081408 0.75545187E+01 0.71697280E+02 1.619382 1.513704 -0.837489 2.483411 0.999332 3.162822 8.168444 0.567419 1.137382 -0.744522 -0.015505 0.012405 -0.035125 0.040349 0.005498 0.008657 -0.010401 -0.013292 0.020540 -0.018011 0.001979 0.016032 1.699116 1.577076 0.185034 0.409228 1.540024 0.057599 1.980249 -0.000009 15 H 28.639027 5.078391 1.076698 0.122963 1.087593 0.76252155E+01 0.72574178E+02 1.630019 1.524875 -0.861469 2.474999 0.999197 3.159366 8.184824 0.562767 1.143530 -0.743138 0.011897 0.030833 -0.021827 0.039606 0.008765 0.005768 -0.011178 -0.009730 0.022474 -0.018462 0.002511 0.015951 1.709257 1.583303 0.439090 0.034807 1.989094 -0.102902 1.555375 -0.000087 16 H 27.016036 3.661684 0.074935 0.126692 1.102505 0.79020372E+01 0.75810158E+02 1.644444 1.553913 -0.899643 2.463701 0.999042 3.130354 8.116740 0.557150 1.145897 -0.743461 -0.015833 0.011994 -0.038970 0.043740 0.004129 0.006903 -0.011506 -0.009441 0.026565 -0.015976 -0.001326 0.017302 1.703786 1.611895 0.106915 0.369498 1.490120 -0.016116 2.009342 0.000215 17 H 26.194880 25.213472 9.256446 0.119860 1.070075 0.73954770E+01 0.69950994E+02 1.621624 1.507964 -0.815748 2.495913 0.999489 3.154433 8.184687 0.561606 1.153047 -0.740543 0.035051 -0.005594 -0.016835 0.039284 -0.001946 -0.000393 0.004852 0.030902 0.005593 -0.017693 0.003012 0.014681 1.721120 1.839765 -0.131572 -0.381920 1.325454 0.225227 1.998139 -0.000001 18 H 26.194880 25.849316 11.539992 0.119178 1.081357 0.75540841E+01 0.71692145E+02 1.619327 1.513657 -0.837486 2.483413 0.999332 3.162806 8.168353 0.567430 1.137376 -0.744523 0.035842 -0.000664 0.018521 0.040349 -0.003684 0.002164 0.005375 0.031330 0.001321 -0.018011 0.001979 0.016032 1.699055 1.779139 0.053882 0.316473 1.321172 0.206410 1.996856 -0.000009 19 H 26.204540 26.585557 13.302936 0.122963 1.087491 0.76243630E+01 0.72564214E+02 1.629923 1.524792 -0.861460 2.475003 0.999198 3.159357 8.184762 0.562780 1.143533 -0.743136 0.035623 -0.003397 -0.016973 0.039606 -0.000386 -0.000704 0.004115 0.033526 0.005145 -0.018461 0.002510 0.015951 1.709151 1.796851 -0.064983 -0.321598 1.335744 0.203588 1.994860 -0.000087 20 H 26.204540 27.065230 15.629866 0.126692 1.102493 0.79019837E+01 0.75809994E+02 1.644467 1.553933 -0.899658 2.463694 0.999042 3.130448 8.117169 0.557129 1.145935 -0.743450 0.038743 0.001233 0.020263 0.043739 -0.001713 0.002770 0.003134 0.031966 -0.005186 -0.015975 -0.001325 0.017300 1.703810 1.851489 0.056918 0.334148 1.352549 0.117231 1.907392 0.000215 21 H 22.108420 17.131551 20.686007 0.119868 1.070069 0.73954320E+01 0.69950478E+02 1.621623 1.507964 -0.815767 2.495908 0.999489 3.154391 8.184579 0.561603 1.153054 -0.740542 -0.035049 -0.017735 0.000337 0.039282 0.001019 0.001704 -0.001961 0.011632 -0.052215 -0.017693 0.003012 0.014681 1.721119 1.839761 0.403932 -0.003259 2.064962 -0.036228 1.258634 -0.000002 22 H 22.108420 19.496447 20.524305 0.119177 1.081319 0.75537682E+01 0.71688512E+02 1.619294 1.513628 -0.837476 2.483417 0.999332 3.162821 8.168398 0.567433 1.137380 -0.744521 -0.035842 0.017240 -0.006800 0.040350 -0.000813 0.004195 -0.000950 0.013439 -0.052349 -0.018012 0.001979 0.016032 1.699020 1.779099 -0.316324 0.054689 2.051472 -0.051804 1.266489 0.000006 23 H 22.098760 21.403981 20.630791 0.122963 1.087559 0.76249469E+01 0.72571144E+02 1.629998 1.524857 -0.861465 2.475001 0.999198 3.159369 8.184864 0.562764 1.143544 -0.743134 -0.035623 -0.017135 0.002455 0.039606 0.000792 0.000130 -0.002875 0.013752 -0.054175 -0.018461 0.002511 0.015951 1.709234 1.796937 0.324891 -0.045936 2.049699 -0.048798 1.281066 0.000084 24 H 22.098760 23.757722 20.307388 0.126691 1.102552 0.79025126E+01 0.75816400E+02 1.644534 1.553993 -0.899667 2.463690 0.999042 3.130499 8.117395 0.557114 1.145946 -0.743448 -0.038743 0.019515 -0.005591 0.043739 -0.002042 0.002539 -0.001770 0.018094 -0.046804 -0.015976 -0.001325 0.017301 1.703882 1.851568 -0.334031 0.057723 1.919517 -0.083196 1.340561 -0.000217 25 H 17.152502 5.535753 6.416803 0.119866 1.070238 0.73969092E+01 0.69968910E+02 1.621915 1.508212 -0.815755 2.495914 0.999489 3.154504 8.185502 0.561495 1.153202 -0.740508 -0.010515 -0.008571 0.036865 0.039282 -0.008811 -0.005247 -0.008940 -0.008108 0.028455 -0.017700 0.003015 0.014685 1.721451 1.561851 -0.184097 -0.419149 1.479025 0.072697 2.123476 -0.000002 26 H 18.649904 4.035383 5.355881 0.119177 1.081366 0.75541444E+01 0.71692634E+02 1.619312 1.513643 -0.837482 2.483414 0.999332 3.162813 8.168282 0.567445 1.137347 -0.744530 0.015506 -0.028981 0.023405 0.040350 -0.009994 -0.002298 -0.009228 -0.009977 0.030485 -0.018010 0.001979 0.016031 1.699042 1.577015 -0.447476 -0.038048 1.967443 -0.093530 1.552668 0.000006 27 H 19.664273 2.707917 4.429053 0.122963 1.087719 0.76263722E+01 0.72588845E+02 1.630253 1.525078 -0.861467 2.475000 0.999197 3.159453 8.185589 0.562674 1.143661 -0.743107 -0.011898 -0.010301 0.036345 0.039606 -0.008362 -0.006343 -0.010697 -0.008372 0.026563 -0.018466 0.002513 0.015953 1.709516 1.583536 -0.179228 -0.402472 1.539108 0.056288 2.005904 0.000084 28 H 21.287264 1.291211 3.427291 0.126692 1.102602 0.79029601E+01 0.75821782E+02 1.644596 1.554049 -0.899653 2.463698 0.999042 3.130480 8.117409 0.557097 1.145964 -0.743445 0.015833 -0.032742 0.024298 0.043740 -0.007886 -0.001593 -0.011640 -0.009820 0.025427 -0.015978 -0.001324 0.017302 1.703951 1.612051 -0.384065 0.022361 1.941719 -0.175727 1.558083 -0.000217 29 H 32.889717 6.539718 9.256446 0.119860 1.070088 0.73955771E+01 0.69952159E+02 1.621638 1.507976 -0.815740 2.495918 0.999489 3.154418 8.184654 0.561602 1.153050 -0.740543 -0.022370 -0.027558 -0.016835 0.039285 0.014354 0.004398 -0.002086 -0.012079 0.005592 -0.017693 0.003012 0.014681 1.721136 1.567991 0.288493 0.386018 1.597256 0.218141 1.998160 -0.000001 30 H 33.440375 6.221796 11.539992 0.119177 1.081323 0.75538037E+01 0.71688964E+02 1.619301 1.513634 -0.837487 2.483412 0.999332 3.162828 8.168434 0.567430 1.137384 -0.744520 -0.018496 -0.030707 0.018521 0.040349 0.015408 0.003572 -0.004562 -0.009283 0.001322 -0.018012 0.001979 0.016032 1.699027 1.388980 0.171359 0.020521 1.711279 -0.377270 1.996824 -0.000009 31 H 34.073148 5.845309 13.302936 0.122963 1.087563 0.76249810E+01 0.72571566E+02 1.630003 1.524862 -0.861468 2.475000 0.999197 3.159375 8.184891 0.562762 1.143546 -0.743134 -0.020753 -0.029152 -0.016973 0.039606 0.014710 0.003916 -0.001449 -0.016092 0.005145 -0.018461 0.002511 0.015951 1.709240 1.507369 0.232175 0.337139 1.625376 0.176732 1.994974 -0.000087 32 H 34.488556 5.605473 15.629866 0.126691 1.102548 0.79024817E+01 0.75816039E+02 1.644532 1.553991 -0.899650 2.463698 0.999042 3.130492 8.117377 0.557113 1.145948 -0.743447 -0.018304 -0.034169 0.020262 0.043739 0.014698 0.001329 -0.003968 -0.013017 -0.005185 -0.015976 -0.001325 0.017301 1.703880 1.428043 0.187599 -0.065552 1.776118 -0.348018 1.907479 0.000215 33 H 15.413583 10.906967 3.080223 0.119860 1.070259 0.73970769E+01 0.69970862E+02 1.621933 1.508226 -0.815737 2.495919 0.999489 3.154533 8.185587 0.561494 1.153198 -0.740509 0.022370 -0.025058 -0.020371 0.039285 -0.008936 -0.012070 -0.000605 -0.007890 0.018183 -0.017700 0.003015 0.014685 1.721471 1.568276 -0.460252 -0.143360 2.091184 0.043681 1.504952 -0.000002 34 H 14.862925 12.953940 2.019301 0.119178 1.081363 0.75541213E+01 0.71692370E+02 1.619310 1.513642 -0.837485 2.483414 0.999332 3.162807 8.168268 0.567444 1.137349 -0.744529 0.018497 0.007226 -0.035124 0.040349 -0.008504 -0.013335 -0.002296 -0.002877 0.020542 -0.018010 0.001979 0.016031 1.699040 1.388986 -0.076473 -0.154712 1.727993 -0.383181 1.980141 0.000006 35 H 14.230152 14.490565 1.076698 0.122964 1.087711 0.76262982E+01 0.72587946E+02 1.630243 1.525069 -0.861461 2.475004 0.999198 3.159439 8.185535 0.562677 1.143659 -0.743108 0.020753 -0.025720 -0.021827 0.039606 -0.008599 -0.012566 0.000593 -0.010320 0.022479 -0.018467 0.002513 0.015953 1.709506 1.507583 -0.395347 -0.106541 2.065348 0.021305 1.555586 0.000084 36 H 13.814744 16.604470 0.074935 0.126694 1.102589 0.79028478E+01 0.75820451E+02 1.644586 1.554040 -0.899642 2.463705 0.999042 3.130456 8.117339 0.557097 1.145967 -0.743444 0.018304 0.007715 -0.038970 0.043740 -0.006153 -0.013416 -0.000226 -0.002434 0.026566 -0.015977 -0.001324 0.017302 1.703941 1.428086 -0.000732 -0.198728 1.674206 -0.311985 2.009530 -0.000217 37 H 20.369502 24.209506 6.416803 0.119858 1.070083 0.73955377E+01 0.69951621E+02 1.621623 1.507964 -0.815728 2.495922 0.999489 3.154429 8.184645 0.561610 1.153038 -0.740546 -0.002165 0.013393 0.036868 0.039285 0.000895 -0.005119 0.009011 0.019307 0.028450 -0.017693 0.003011 0.014682 1.721119 1.658846 0.127871 0.272439 1.381486 0.326545 2.123025 -0.000001 38 H 18.321442 23.662903 5.355881 0.119178 1.081407 0.75545034E+01 0.71697093E+02 1.619380 1.513702 -0.837488 2.483412 0.999332 3.162819 8.168432 0.567420 1.137381 -0.744522 -0.032851 0.001062 0.023404 0.040349 0.000678 -0.006843 0.006604 0.022300 0.030488 -0.018011 0.001979 0.016032 1.699114 2.257468 0.054676 -0.061996 1.287142 0.079720 1.552732 -0.000009 39 H 16.664639 23.448166 4.429053 0.122963 1.087588 0.76251700E+01 0.72573623E+02 1.630013 1.524870 -0.861466 2.475000 0.999198 3.159356 8.184786 0.562768 1.143529 -0.743138 -0.002972 0.015454 0.036345 0.039606 0.000556 -0.006093 0.010839 0.018664 0.026559 -0.018462 0.002511 0.015951 1.709251 1.705159 0.108822 0.249917 1.417020 0.320331 2.005574 -0.000087 40 H 14.626239 22.750968 3.427291 0.126694 1.102494 0.79019302E+01 0.75808850E+02 1.644430 1.553901 -0.899646 2.463701 0.999042 3.130334 8.116664 0.557153 1.145895 -0.743462 -0.036272 0.002660 0.024299 0.043740 -0.000310 -0.009285 0.007198 0.018566 0.025428 -0.015976 -0.001327 0.017302 1.703771 2.191650 0.049270 -0.163351 1.361733 0.068485 1.557929 0.000215 41 H 27.933798 14.119656 20.686007 0.119858 1.070072 0.73954521E+01 0.69950686E+02 1.621620 1.507961 -0.815722 2.495925 0.999489 3.154429 8.184667 0.561607 1.153046 -0.740543 0.002165 0.039224 0.000338 0.039285 0.004528 -0.002550 -0.000495 -0.007583 -0.052216 -0.017693 0.003012 0.014682 1.721115 1.658840 -0.299480 -0.029745 2.245875 0.020936 1.258631 -0.000002 42 H 29.981858 12.937208 20.524305 0.119178 1.081359 0.75541070E+01 0.71692440E+02 1.619332 1.513661 -0.837488 2.483412 0.999332 3.162810 8.168376 0.567428 1.137379 -0.744522 0.032851 0.022420 -0.006800 0.040349 0.006226 -0.002920 -0.003157 -0.005313 -0.052349 -0.018011 0.001979 0.016032 1.699061 2.257383 0.040225 -0.072211 1.573284 -0.021461 1.266514 0.000006 43 H 31.638662 11.991807 20.630791 0.122963 1.087497 0.76244101E+01 0.72564793E+02 1.629930 1.524798 -0.861465 2.475001 0.999198 3.159365 8.184797 0.562778 1.143535 -0.743135 0.002972 0.039418 0.002455 0.039606 0.005558 -0.002555 0.001326 -0.008249 -0.054175 -0.018461 0.002511 0.015951 1.709159 1.705068 -0.271872 -0.019290 2.141389 0.064176 1.281020 0.000084 44 H 33.677061 10.814937 20.307388 0.126692 1.102493 0.79019787E+01 0.75809924E+02 1.644465 1.553932 -0.899658 2.463695 0.999042 3.130447 8.117162 0.557130 1.145934 -0.743451 0.036272 0.023795 -0.005591 0.043739 0.008855 -0.002802 -0.001313 -0.005512 -0.046801 -0.015975 -0.001325 0.017300 1.703808 2.191701 0.137588 -0.100904 1.579211 -0.008391 1.340513 -0.000217 45 H 34.932947 12.086626 6.416803 0.119868 1.070054 0.73953018E+01 0.69948973E+02 1.621607 1.507950 -0.815765 2.495909 0.999489 3.154401 8.184602 0.561605 1.153053 -0.740542 0.012680 -0.004821 0.036865 0.039282 0.007912 0.010363 -0.000073 -0.011203 0.028447 -0.017693 0.003012 0.014681 1.721101 1.340076 0.056164 0.146575 1.700227 -0.399204 2.123000 -0.000002 46 H 35.483604 14.133600 5.355881 0.119177 1.081358 0.75540962E+01 0.71692293E+02 1.619329 1.513658 -0.837479 2.483415 0.999332 3.162809 8.168364 0.567429 1.137377 -0.744523 0.017346 0.027919 0.023404 0.040350 0.009317 0.009142 0.002624 -0.012323 0.030487 -0.018012 0.001979 0.016032 1.699058 1.482328 0.392803 0.100034 2.062160 0.013831 1.552685 0.000006 47 H 36.126038 15.675802 4.429053 0.122963 1.087495 0.76243958E+01 0.72564622E+02 1.629928 1.524797 -0.861461 2.475003 0.999198 3.159359 8.184779 0.562778 1.143536 -0.743135 0.014870 -0.005153 0.036345 0.039606 0.007803 0.012434 -0.000144 -0.010295 0.026558 -0.018461 0.002511 0.015951 1.709158 1.394748 0.070351 0.152443 1.727271 -0.376565 2.005454 0.000084 48 H 36.541446 17.789706 3.427291 0.126694 1.102471 0.79017794E+01 0.75807560E+02 1.644447 1.553916 -0.899630 2.463711 0.999042 3.130408 8.117046 0.557130 1.145939 -0.743450 0.020440 0.030083 0.024298 0.043740 0.008193 0.010876 0.004440 -0.008745 0.025425 -0.015974 -0.001325 0.017300 1.703790 1.526559 0.334734 0.140988 2.026863 0.107223 1.557947 -0.000218 49 H 22.412731 10.580678 20.686007 0.119866 1.070062 0.73953674E+01 0.69949648E+02 1.621606 1.507950 -0.815757 2.495912 0.999489 3.154396 8.184554 0.561610 1.153043 -0.740544 0.032884 -0.021486 0.000337 0.039282 -0.005547 0.000845 0.002456 -0.004052 -0.052215 -0.017693 0.003011 0.014682 1.721099 2.358444 -0.104449 0.033003 1.546231 0.015291 1.258623 -0.000002 50 H 20.364671 9.398230 20.524305 0.119177 1.081409 0.75545160E+01 0.71697228E+02 1.619380 1.513702 -0.837481 2.483414 0.999332 3.162822 8.168435 0.567421 1.137379 -0.744523 0.002991 -0.039660 -0.006800 0.040350 -0.005413 -0.001275 0.004108 -0.008128 -0.052349 -0.018012 0.001979 0.016033 1.699115 1.709528 0.276129 0.017521 2.121271 0.073271 1.266545 0.000006 51 H 18.717529 8.436097 20.630791 0.122963 1.087591 0.76251949E+01 0.72573928E+02 1.630017 1.524873 -0.861468 2.474999 0.999197 3.159361 8.184806 0.562767 1.143530 -0.743138 0.032651 -0.022283 0.002455 0.039606 -0.006351 0.002425 0.001551 -0.005504 -0.054176 -0.018462 0.002510 0.015951 1.709255 2.267905 -0.053000 0.065229 1.578782 -0.015383 1.281077 0.000084 52 H 16.679129 7.259227 20.307388 0.126693 1.102508 0.79020603E+01 0.75810427E+02 1.644445 1.553914 -0.899661 2.463693 0.999042 3.130358 8.116750 0.557150 1.145895 -0.743462 0.002471 -0.043311 -0.005592 0.043740 -0.006815 0.000263 0.003085 -0.012586 -0.046804 -0.015976 -0.001327 0.017302 1.703787 1.613156 0.196420 0.043184 2.157707 0.091581 1.340498 -0.000217 53 H 13.370353 10.078696 9.256446 0.119860 1.070259 0.73970816E+01 0.69970912E+02 1.621933 1.508226 -0.815740 2.495917 0.999489 3.154533 8.185585 0.561494 1.153198 -0.740509 -0.012681 0.033152 -0.016835 0.039285 -0.012412 -0.004009 -0.002768 -0.018827 0.005599 -0.017700 0.003015 0.014685 1.721471 1.340311 -0.156963 -0.004097 1.825509 -0.443514 1.998592 -0.000001 54 H 12.819696 9.760773 11.539992 0.119178 1.081364 0.75541299E+01 0.71692466E+02 1.619310 1.513642 -0.837488 2.483412 0.999332 3.162810 8.168274 0.567445 1.137348 -0.744530 -0.017345 0.031372 0.018521 0.040349 -0.011724 -0.005737 -0.000813 -0.022043 0.001318 -0.018010 0.001979 0.016031 1.699040 1.482309 -0.225234 -0.336992 1.617957 0.170858 1.996855 -0.000009 55 H 12.177262 9.401019 13.302936 0.122963 1.087713 0.76263208E+01 0.72588219E+02 1.630246 1.525072 -0.861463 2.475003 0.999198 3.159444 8.185553 0.562676 1.143659 -0.743108 -0.014870 0.032549 -0.016973 0.039606 -0.014327 -0.003215 -0.002668 -0.017436 0.005150 -0.018466 0.002513 0.015953 1.709509 1.394994 -0.167226 -0.015522 1.738211 -0.380431 1.995322 -0.000087 56 H 11.761854 9.161183 15.629866 0.126692 1.102600 0.79029444E+01 0.75821573E+02 1.644593 1.554046 -0.899654 2.463697 0.999042 3.130478 8.117394 0.557099 1.145962 -0.743445 -0.020439 0.032937 0.020263 0.043740 -0.012986 -0.004101 0.000833 -0.018952 -0.005184 -0.015978 -0.001324 0.017302 1.703947 1.526688 -0.244532 -0.268634 1.677587 0.230790 1.907567 0.000215 57 H 25.890569 23.029847 3.080223 0.119857 1.070093 0.73956182E+01 0.69952629E+02 1.621641 1.507979 -0.815726 2.495922 0.999489 3.154429 8.184681 0.561603 1.153048 -0.740543 -0.032886 -0.006844 -0.020371 0.039285 0.001052 0.005512 0.010752 0.019413 0.018176 -0.017693 0.003012 0.014682 1.721139 2.358510 0.003702 0.109482 1.300214 0.102283 1.504693 -0.000001 58 H 27.938629 22.483244 2.019301 0.119178 1.081321 0.75537957E+01 0.71688881E+02 1.619301 1.513634 -0.837487 2.483413 0.999332 3.162824 8.168428 0.567429 1.137386 -0.744519 -0.002990 -0.019631 -0.035125 0.040349 0.003006 0.004679 0.012698 0.016168 0.020540 -0.018011 0.001979 0.016032 1.699028 1.709443 -0.108552 -0.254475 1.407505 0.325575 1.980136 -0.000009 59 H 29.585771 22.262929 1.076698 0.122963 1.087562 0.76249663E+01 0.72571399E+02 1.630003 1.524862 -0.861464 2.475002 0.999198 3.159369 8.184877 0.562761 1.143547 -0.743133 -0.032651 -0.005113 -0.021827 0.039606 -0.000170 0.006796 0.010584 0.020046 0.022473 -0.018461 0.002511 0.015951 1.709240 2.267881 -0.043832 0.071709 1.304478 0.081594 1.555360 -0.000087 60 H 31.624171 21.565731 0.074935 0.126693 1.102533 0.79023504E+01 0.75814492E+02 1.644521 1.553982 -0.899633 2.463709 0.999042 3.130463 8.117296 0.557113 1.145954 -0.743446 -0.002471 -0.019708 -0.038970 0.043740 0.002023 0.006512 0.011730 0.011872 0.026566 -0.015975 -0.001325 0.017301 1.703869 1.613238 -0.106197 -0.170806 1.488926 0.328076 2.009443 0.000215 61 H 74.193869 32.746000 36.359256 0.119857 1.070085 0.73955509E+01 0.69951769E+02 1.621624 1.507965 -0.815725 2.495922 0.999489 3.154432 8.184651 0.561610 1.153037 -0.740546 -0.032886 0.006844 0.020371 0.039285 -0.001052 -0.005512 0.010752 0.019413 0.018176 -0.017693 0.003011 0.014682 1.721120 2.358479 -0.003701 -0.109480 1.300202 0.102281 1.504678 -0.000001 62 H 76.241929 33.292603 37.420178 0.119178 1.081408 0.75545166E+01 0.71697251E+02 1.619382 1.513703 -0.837490 2.483411 0.999332 3.162821 8.168439 0.567420 1.137381 -0.744522 -0.002991 0.019631 0.035125 0.040349 -0.003007 -0.004679 0.012698 0.016169 0.020540 -0.018011 0.001979 0.016033 1.699116 1.709530 0.108561 0.254497 1.407569 0.325603 1.980249 -0.000009 63 H 77.889071 33.512918 38.362781 0.122963 1.087589 0.76251748E+01 0.72573677E+02 1.630014 1.524870 -0.861466 2.475000 0.999198 3.159357 8.184788 0.562768 1.143529 -0.743138 -0.032651 0.005113 0.021827 0.039606 0.000169 -0.006796 0.010584 0.020046 0.022474 -0.018462 0.002511 0.015951 1.709251 2.267901 0.043832 -0.071712 1.304484 0.081595 1.555369 -0.000087 64 H 79.927471 34.210116 39.364544 0.126694 1.102494 0.79019325E+01 0.75808872E+02 1.644430 1.553901 -0.899646 2.463700 0.999042 3.130335 8.116665 0.557154 1.145894 -0.743462 -0.002471 0.019709 0.038970 0.043740 -0.002024 -0.006513 0.011731 0.011871 0.026565 -0.015976 -0.001327 0.017302 1.703770 1.613141 0.106186 0.170789 1.488848 0.328049 2.009322 0.000215 65 H 61.673653 45.697151 30.183033 0.119860 1.070072 0.73954495E+01 0.69950665E+02 1.621621 1.507961 -0.815735 2.495919 0.999489 3.154427 8.184666 0.561606 1.153047 -0.740543 -0.012681 -0.033152 0.016835 0.039284 0.012408 0.004005 -0.002766 -0.018822 0.005592 -0.017693 0.003012 0.014681 1.721116 1.340084 0.156916 0.004093 1.825129 -0.443365 1.998134 -0.000001 66 H 61.122996 46.015074 27.899487 0.119178 1.081359 0.75541066E+01 0.71692426E+02 1.619331 1.513660 -0.837489 2.483411 0.999332 3.162811 8.168375 0.567429 1.137378 -0.744522 -0.017346 -0.031372 -0.018521 0.040349 0.011724 0.005737 -0.000813 -0.022045 0.001321 -0.018011 0.001979 0.016032 1.699060 1.482330 0.225247 0.336995 1.617988 0.170870 1.996862 -0.000009 67 H 60.480562 46.374828 26.136543 0.122963 1.087496 0.76244012E+01 0.72564693E+02 1.629929 1.524798 -0.861464 2.475002 0.999198 3.159362 8.184790 0.562777 1.143536 -0.743135 -0.014870 -0.032549 0.016973 0.039606 0.014324 0.003212 -0.002668 -0.017432 0.005145 -0.018461 0.002511 0.015951 1.709159 1.394749 0.167175 0.015514 1.737859 -0.380309 1.994869 -0.000087 68 H 60.065154 46.614664 23.809613 0.126691 1.102491 0.79019669E+01 0.75809787E+02 1.644464 1.553932 -0.899648 2.463699 0.999042 3.130445 8.117157 0.557129 1.145935 -0.743450 -0.020440 -0.032936 -0.020262 0.043739 0.012985 0.004099 0.000832 -0.018950 -0.005186 -0.015975 -0.001325 0.017300 1.703808 1.526574 0.244506 0.268598 1.677460 0.230765 1.907389 0.000215 69 H 70.716031 45.195169 18.753472 0.119866 1.070068 0.73954165E+01 0.69950283E+02 1.621620 1.507962 -0.815753 2.495914 0.999489 3.154390 8.184569 0.561604 1.153053 -0.740542 0.032884 0.021486 -0.000337 0.039282 0.005547 -0.000846 0.002456 -0.004052 -0.052215 -0.017693 0.003012 0.014681 1.721115 2.358470 0.104452 -0.033003 1.546244 0.015292 1.258632 -0.000002 70 H 68.667971 46.377617 18.915174 0.119177 1.081323 0.75538024E+01 0.71688939E+02 1.619300 1.513633 -0.837480 2.483415 0.999332 3.162827 8.168427 0.567431 1.137383 -0.744520 0.002991 0.039660 0.006800 0.040350 0.005413 0.001275 0.004108 -0.008128 -0.052349 -0.018012 0.001979 0.016032 1.699027 1.709441 -0.276105 -0.017519 2.121146 0.073265 1.266493 0.000006 71 H 67.020829 47.339750 18.808688 0.122963 1.087566 0.76250056E+01 0.72571865E+02 1.630006 1.524865 -0.861470 2.474998 0.999197 3.159378 8.184905 0.562761 1.143546 -0.743133 0.032651 0.022283 -0.002455 0.039606 0.006351 -0.002425 0.001551 -0.005504 -0.054176 -0.018461 0.002511 0.015951 1.709244 2.267887 0.052997 -0.065229 1.578773 -0.015383 1.281072 0.000084 72 H 64.982429 48.516620 19.132091 0.126692 1.102551 0.79025106E+01 0.75816397E+02 1.644535 1.553995 -0.899661 2.463694 0.999042 3.130497 8.117398 0.557112 1.145949 -0.743447 0.002471 0.043310 0.005591 0.043739 0.006814 -0.000264 0.003084 -0.012584 -0.046804 -0.015976 -0.001325 0.017301 1.703884 1.613252 -0.196439 -0.043189 2.157837 0.091588 1.340563 -0.000217 73 H 83.236247 43.689221 33.022676 0.119868 1.070238 0.73969048E+01 0.69968859E+02 1.621914 1.508211 -0.815764 2.495910 0.999489 3.154502 8.185497 0.561495 1.153202 -0.740508 0.012680 0.004821 -0.036865 0.039282 -0.007917 -0.010366 -0.000074 -0.011208 0.028454 -0.017699 0.003015 0.014684 1.721450 1.340298 -0.056183 -0.146617 1.700576 -0.399342 2.123476 -0.000002 74 H 83.786904 41.642247 34.083598 0.119177 1.081362 0.75541104E+01 0.71692218E+02 1.619307 1.513639 -0.837478 2.483417 0.999332 3.162806 8.168254 0.567446 1.137346 -0.744530 0.017345 -0.027919 -0.023405 0.040350 -0.009317 -0.009141 0.002624 -0.012321 0.030484 -0.018010 0.001979 0.016031 1.699037 1.482306 -0.392796 -0.100023 2.062141 0.013814 1.552663 0.000006 75 H 84.429338 40.100045 35.010426 0.122964 1.087712 0.76263065E+01 0.72588044E+02 1.630244 1.525070 -0.861462 2.475004 0.999198 3.159440 8.185538 0.562677 1.143659 -0.743108 0.014870 0.005153 -0.036345 0.039606 -0.007806 -0.012436 -0.000145 -0.010298 0.026563 -0.018467 0.002513 0.015953 1.709506 1.394992 -0.070376 -0.152488 1.727635 -0.376692 2.005892 0.000084 76 H 84.844746 37.986141 36.012188 0.126694 1.102587 0.79028300E+01 0.75820237E+02 1.644584 1.554039 -0.899642 2.463705 0.999042 3.130454 8.117331 0.557098 1.145967 -0.743444 0.020440 -0.030084 -0.024299 0.043740 -0.008195 -0.010877 0.004441 -0.008748 0.025426 -0.015977 -0.001324 0.017302 1.703939 1.526680 -0.334779 -0.141002 2.027063 0.107227 1.558072 -0.000217 77 H 74.498180 30.562375 30.183033 0.119860 1.070091 0.73956098E+01 0.69952539E+02 1.621641 1.507979 -0.815749 2.495912 0.999489 3.154425 8.184674 0.561602 1.153049 -0.740543 0.035051 0.005594 0.016835 0.039284 0.001947 0.000392 0.004852 0.030902 0.005592 -0.017693 0.003012 0.014681 1.721139 1.839786 0.131575 0.381926 1.325467 0.225231 1.998164 -0.000001 78 H 74.498180 29.926531 27.899487 0.119178 1.081320 0.75537827E+01 0.71688703E+02 1.619297 1.513631 -0.837485 2.483413 0.999332 3.162823 8.168413 0.567431 1.137383 -0.744520 0.035842 0.000664 -0.018521 0.040349 0.003684 -0.002165 0.005375 0.031330 0.001321 -0.018011 0.001979 0.016032 1.699023 1.779101 -0.053880 -0.316463 1.321151 0.206405 1.996817 -0.000009 79 H 74.507840 29.190290 26.136543 0.122963 1.087558 0.76249392E+01 0.72571056E+02 1.629997 1.524857 -0.861464 2.475001 0.999198 3.159368 8.184862 0.562764 1.143544 -0.743134 0.035623 0.003397 0.016973 0.039606 0.000387 0.000703 0.004115 0.033525 0.005145 -0.018461 0.002511 0.015951 1.709234 1.796937 0.064988 0.321622 1.335798 0.203604 1.994966 -0.000087 80 H 74.507840 28.710617 23.809613 0.126692 1.102549 0.79024841E+01 0.75816075E+02 1.644532 1.553992 -0.899658 2.463695 0.999042 3.130492 8.117380 0.557113 1.145949 -0.743447 0.038743 -0.001233 -0.020263 0.043739 0.001713 -0.002772 0.003135 0.031967 -0.005185 -0.015976 -0.001325 0.017301 1.703881 1.851566 -0.056922 -0.334169 1.352597 0.117240 1.907481 0.000215 81 H 79.454098 47.880776 36.359256 0.119858 1.070259 0.73970793E+01 0.69970869E+02 1.621931 1.508225 -0.815725 2.495923 0.999489 3.154536 8.185586 0.561495 1.153196 -0.740509 0.010516 -0.031903 0.020371 0.039286 -0.007884 -0.006558 -0.010151 -0.011533 0.018183 -0.017700 0.003015 0.014685 1.721469 1.561866 -0.456551 -0.033852 2.097589 -0.145993 1.504951 -0.000002 82 H 77.956696 49.381146 37.420178 0.119178 1.081366 0.75541476E+01 0.71692692E+02 1.619314 1.513645 -0.837489 2.483412 0.999332 3.162812 8.168288 0.567443 1.137350 -0.744529 -0.015506 -0.012406 0.035124 0.040349 -0.005498 -0.008656 -0.010400 -0.013291 0.020541 -0.018010 0.001979 0.016031 1.699044 1.577017 -0.185032 -0.409202 1.539969 0.057606 1.980146 0.000006 83 H 76.942327 50.697456 38.362781 0.122963 1.087718 0.76263622E+01 0.72588721E+02 1.630251 1.525076 -0.861466 2.475001 0.999197 3.159452 8.185583 0.562675 1.143660 -0.743108 0.011898 -0.030833 0.021827 0.039606 -0.008768 -0.005770 -0.011179 -0.009733 0.022479 -0.018466 0.002513 0.015953 1.709515 1.583535 -0.439197 -0.034820 1.989415 -0.102920 1.555594 0.000084 84 H 75.319336 52.114163 39.364544 0.126692 1.102602 0.79029582E+01 0.75821760E+02 1.644596 1.554049 -0.899653 2.463698 0.999042 3.130479 8.117407 0.557097 1.145965 -0.743445 -0.015833 -0.011994 0.038969 0.043740 -0.004131 -0.006904 -0.011505 -0.009441 0.026566 -0.015978 -0.001324 0.017302 1.703951 1.612051 -0.106940 -0.369554 1.490258 -0.016111 2.009544 -0.000217 85 H 65.455802 50.240094 33.022676 0.119866 1.070061 0.73953618E+01 0.69949586E+02 1.621606 1.507950 -0.815755 2.495913 0.999489 3.154396 8.184555 0.561610 1.153044 -0.740544 -0.010515 0.008571 -0.036865 0.039282 0.008807 0.005244 -0.008939 -0.008103 0.028450 -0.017693 0.003011 0.014682 1.721099 1.561549 0.184032 0.419007 1.478753 0.072665 2.122996 -0.000001 86 H 66.953204 51.740464 34.083598 0.119177 1.081410 0.75545268E+01 0.71697362E+02 1.619382 1.513703 -0.837483 2.483413 0.999332 3.162825 8.168447 0.567420 1.137380 -0.744522 0.015506 0.028981 -0.023404 0.040350 0.009995 0.002298 -0.009229 -0.009976 0.030488 -0.018012 0.001979 0.016033 1.699116 1.577076 0.447502 0.038042 1.967539 -0.093551 1.552734 -0.000009 87 H 67.967573 53.067930 35.010426 0.122962 1.087594 0.76252311E+01 0.72574371E+02 1.630022 1.524877 -0.861470 2.474998 0.999197 3.159368 8.184834 0.562766 1.143531 -0.743138 -0.011897 0.010301 -0.036345 0.039606 0.008360 0.006341 -0.010696 -0.008368 0.026559 -0.018462 0.002511 0.015951 1.709260 1.583306 0.179180 0.402376 1.538891 0.056270 2.005584 -0.000087 88 H 69.590564 54.484636 36.012188 0.126692 1.102504 0.79020273E+01 0.75810037E+02 1.644443 1.553912 -0.899643 2.463701 0.999042 3.130353 8.116735 0.557150 1.145897 -0.743461 0.015833 0.032743 -0.024298 0.043740 0.007885 0.001591 -0.011640 -0.009820 0.025428 -0.015976 -0.001326 0.017302 1.703784 1.611893 0.384004 -0.022366 1.941519 -0.175711 1.557940 0.000215 89 H 70.411720 38.644296 18.753472 0.119868 1.070055 0.73953126E+01 0.69949087E+02 1.621607 1.507950 -0.815767 2.495908 0.999489 3.154402 8.184600 0.561606 1.153052 -0.740542 -0.035049 0.017735 -0.000338 0.039282 -0.001019 -0.001704 -0.001961 0.011632 -0.052214 -0.017693 0.003012 0.014681 1.721101 1.839742 -0.403926 0.003259 2.064937 -0.036227 1.258623 -0.000002 90 H 70.411720 36.279400 18.915174 0.119176 1.081357 0.75540801E+01 0.71692081E+02 1.619325 1.513655 -0.837478 2.483416 0.999332 3.162806 8.168345 0.567431 1.137374 -0.744523 -0.035842 -0.017240 0.006800 0.040350 0.000813 -0.004194 -0.000950 0.013440 -0.052350 -0.018012 0.001979 0.016032 1.699054 1.779138 0.316335 -0.054691 2.051513 -0.051805 1.266510 0.000006 91 H 70.402060 34.371866 18.808688 0.122963 1.087492 0.76243733E+01 0.72564339E+02 1.629924 1.524793 -0.861461 2.475003 0.999198 3.159358 8.184767 0.562779 1.143534 -0.743135 -0.035623 0.017135 -0.002455 0.039606 -0.000793 -0.000130 -0.002876 0.013752 -0.054175 -0.018461 0.002510 0.015951 1.709153 1.796852 -0.324867 0.045932 2.049590 -0.048794 1.281017 0.000084 92 H 70.402060 32.018125 19.132091 0.126691 1.102496 0.79020080E+01 0.75810271E+02 1.644468 1.553934 -0.899666 2.463690 0.999042 3.130454 8.117182 0.557130 1.145933 -0.743451 -0.038743 -0.019515 0.005591 0.043739 0.002041 -0.002538 -0.001770 0.018094 -0.046801 -0.015975 -0.001325 0.017300 1.703811 1.851491 0.334011 -0.057720 1.919428 -0.083190 1.340515 -0.000217 93 H 68.672802 31.566341 33.022676 0.119858 1.070075 0.73954730E+01 0.69950949E+02 1.621624 1.507964 -0.815728 2.495922 0.999489 3.154434 8.184690 0.561605 1.153048 -0.740543 -0.002165 -0.013393 -0.036868 0.039285 -0.000895 0.005119 0.009011 0.019306 0.028449 -0.017693 0.003012 0.014681 1.721120 1.658845 -0.127870 -0.272438 1.381486 0.326546 2.123028 -0.000001 94 H 66.624742 32.112944 34.083598 0.119178 1.081357 0.75540911E+01 0.71692250E+02 1.619330 1.513659 -0.837487 2.483413 0.999332 3.162807 8.168366 0.567428 1.137379 -0.744522 -0.032851 -0.001062 -0.023404 0.040349 -0.000678 0.006843 0.006605 0.022299 0.030487 -0.018011 0.001979 0.016032 1.699059 2.257381 -0.054673 0.061994 1.287109 0.079716 1.552686 -0.000009 95 H 64.967939 32.327681 35.010426 0.122963 1.087495 0.76243942E+01 0.72564608E+02 1.629929 1.524797 -0.861461 2.475003 0.999198 3.159359 8.184781 0.562777 1.143537 -0.743135 -0.002972 -0.015454 -0.036345 0.039606 -0.000556 0.006092 0.010840 0.018662 0.026558 -0.018461 0.002511 0.015951 1.709158 1.705067 -0.108811 -0.249894 1.416953 0.320302 2.005454 -0.000087 96 H 62.929539 33.024879 36.012188 0.126693 1.102477 0.79018348E+01 0.75808221E+02 1.644453 1.553921 -0.899631 2.463709 0.999042 3.130417 8.117075 0.557130 1.145939 -0.743450 -0.036272 -0.002660 -0.024298 0.043740 0.000310 0.009283 0.007199 0.018563 0.025425 -0.015974 -0.001326 0.017300 1.703796 2.191683 -0.049271 0.163352 1.361752 0.068488 1.557952 0.000215 97 H 76.237098 41.656191 18.753472 0.119858 1.070081 0.73955212E+01 0.69951422E+02 1.621621 1.507962 -0.815725 2.495923 0.999489 3.154424 8.184628 0.561610 1.153038 -0.740546 0.002165 -0.039224 -0.000337 0.039285 -0.004528 0.002550 -0.000496 -0.007582 -0.052217 -0.017693 0.003011 0.014682 1.721117 1.658843 0.299480 0.029745 2.245875 0.020936 1.258632 -0.000002 98 H 78.285158 42.838639 18.915174 0.119178 1.081406 0.75544980E+01 0.71697030E+02 1.619379 1.513701 -0.837486 2.483413 0.999332 3.162818 8.168429 0.567420 1.137381 -0.744522 0.032851 -0.022420 0.006800 0.040349 -0.006226 0.002920 -0.003158 -0.005313 -0.052348 -0.018011 0.001979 0.016032 1.699113 2.257467 -0.040225 0.072214 1.573329 -0.021462 1.266545 0.000006 99 H 79.941962 43.784040 18.808688 0.122963 1.087587 0.76251663E+01 0.72573581E+02 1.630013 1.524869 -0.861466 2.475001 0.999198 3.159357 8.184789 0.562768 1.143529 -0.743138 0.002972 -0.039418 -0.002455 0.039606 -0.005559 0.002555 0.001325 -0.008248 -0.054176 -0.018461 0.002510 0.015951 1.709250 1.705158 0.271897 0.019292 2.141518 0.064181 1.281074 0.000084 100 H 81.980361 44.960910 19.132091 0.126693 1.102505 0.79020325E+01 0.75810084E+02 1.644442 1.553911 -0.899658 2.463694 0.999042 3.130352 8.116727 0.557151 1.145895 -0.743462 0.036272 -0.023795 0.005592 0.043740 -0.008857 0.002803 -0.001315 -0.005511 -0.046804 -0.015976 -0.001327 0.017302 1.703783 2.191667 -0.137587 0.100903 1.579186 -0.008392 1.340495 -0.000217 101 H 81.193017 49.236129 30.183033 0.119860 1.070259 0.73970824E+01 0.69970926E+02 1.621933 1.508227 -0.815744 2.495916 0.999489 3.154534 8.185590 0.561494 1.153198 -0.740509 -0.022370 0.027558 0.016835 0.039285 -0.014358 -0.004401 -0.002088 -0.012084 0.005599 -0.017700 0.003015 0.014684 1.721471 1.568276 -0.288579 -0.386143 1.597545 0.218209 1.998593 -0.000001 102 H 81.743675 49.554051 27.899487 0.119178 1.081365 0.75541362E+01 0.71692547E+02 1.619312 1.513643 -0.837487 2.483412 0.999332 3.162811 8.168280 0.567444 1.137349 -0.744529 -0.018497 0.030707 -0.018521 0.040349 -0.015407 -0.003573 -0.004562 -0.009285 0.001319 -0.018010 0.001979 0.016031 1.699042 1.388987 -0.171354 -0.020529 1.711281 -0.377273 1.996857 -0.000009 103 H 82.376448 49.930538 26.136543 0.122963 1.087714 0.76263250E+01 0.72588275E+02 1.630247 1.525072 -0.861464 2.475002 0.999198 3.159445 8.185558 0.562676 1.143660 -0.743108 -0.020753 0.029152 0.016973 0.039606 -0.014713 -0.003918 -0.001450 -0.016096 0.005150 -0.018466 0.002513 0.015953 1.709510 1.507586 -0.232230 -0.337225 1.625621 0.176774 1.995323 -0.000087 104 H 82.791856 50.170374 23.809613 0.126692 1.102602 0.79029588E+01 0.75821756E+02 1.644595 1.554048 -0.899655 2.463696 0.999042 3.130480 8.117405 0.557098 1.145963 -0.743445 -0.018304 0.034169 -0.020263 0.043740 -0.014700 -0.001329 -0.003968 -0.013017 -0.005184 -0.015978 -0.001324 0.017302 1.703950 1.428093 -0.187608 0.065553 1.776186 -0.348040 1.907570 0.000215 105 H 63.716883 44.868880 36.359256 0.119860 1.070090 0.73955957E+01 0.69952386E+02 1.621641 1.507979 -0.815738 2.495918 0.999489 3.154422 8.184670 0.561602 1.153051 -0.740543 0.022370 0.025058 0.020371 0.039285 0.008931 0.012067 -0.000603 -0.007885 0.018176 -0.017693 0.003012 0.014681 1.721139 1.567993 0.460107 0.143321 2.090730 0.043673 1.504693 -0.000002 106 H 63.166225 42.821907 37.420178 0.119178 1.081321 0.75537905E+01 0.71688816E+02 1.619300 1.513633 -0.837484 2.483414 0.999332 3.162824 8.168426 0.567430 1.137385 -0.744520 0.018496 -0.007226 0.035125 0.040349 0.008504 0.013336 -0.002297 -0.002877 0.020540 -0.018012 0.001979 0.016032 1.699026 1.388979 0.076467 0.154718 1.727966 -0.383169 1.980134 0.000006 107 H 62.533452 41.285282 38.362781 0.122963 1.087561 0.76249606E+01 0.72571321E+02 1.630001 1.524860 -0.861464 2.475002 0.999198 3.159369 8.184872 0.562762 1.143546 -0.743134 0.020753 0.025720 0.021827 0.039606 0.008595 0.012564 0.000593 -0.010317 0.022473 -0.018461 0.002511 0.015951 1.709238 1.507368 0.395249 0.106517 2.064987 0.021306 1.555358 0.000084 108 H 62.118044 39.171377 39.364544 0.126694 1.102528 0.79022987E+01 0.75813869E+02 1.644515 1.553977 -0.899631 2.463711 0.999042 3.130454 8.117265 0.557114 1.145953 -0.743446 0.018303 -0.007715 0.038970 0.043740 0.006152 0.013414 -0.000226 -0.002433 0.026566 -0.015975 -0.001325 0.017300 1.703863 1.428030 0.000730 0.198718 1.674123 -0.311958 2.009435 -0.000217 109 H 65.455802 47.880776 36.359256 0.119858 1.070081 0.73955162E+01 0.69951358E+02 1.621620 1.507961 -0.815723 2.495924 0.999489 3.154425 8.184628 0.561611 1.153037 -0.740546 -0.010516 -0.031903 0.020371 0.039285 0.007880 0.006556 -0.010150 -0.011528 0.018176 -0.017693 0.003011 0.014682 1.721115 1.561562 0.456395 0.033838 2.097109 -0.145952 1.504674 -0.000002 110 H 66.953204 49.381146 37.420178 0.119178 1.081409 0.75545220E+01 0.71697317E+02 1.619382 1.513704 -0.837490 2.483411 0.999332 3.162823 8.168446 0.567419 1.137381 -0.744522 0.015505 -0.012405 0.035125 0.040349 0.005498 0.008657 -0.010401 -0.013292 0.020540 -0.018011 0.001979 0.016032 1.699116 1.577077 0.185034 0.409228 1.540024 0.057599 1.980249 0.000006 111 H 67.967573 50.697456 38.362781 0.122962 1.087593 0.76252168E+01 0.72574193E+02 1.630020 1.524875 -0.861470 2.474998 0.999197 3.159366 8.184824 0.562767 1.143531 -0.743138 -0.011897 -0.030833 0.021827 0.039606 0.008765 0.005768 -0.011178 -0.009730 0.022473 -0.018461 0.002510 0.015951 1.709258 1.583304 0.439090 0.034807 1.989094 -0.102902 1.555375 0.000084 112 H 69.590564 52.114163 39.364544 0.126692 1.102510 0.79020789E+01 0.75810656E+02 1.644448 1.553917 -0.899655 2.463695 0.999042 3.130360 8.116760 0.557150 1.145897 -0.743461 0.015833 -0.011994 0.038969 0.043739 0.004129 0.006903 -0.011506 -0.009441 0.026564 -0.015976 -0.001326 0.017302 1.703790 1.611899 0.106916 0.369499 1.490123 -0.016117 2.009348 -0.000217 113 H 70.411720 30.562375 30.183033 0.119860 1.070076 0.73954805E+01 0.69951033E+02 1.621624 1.507964 -0.815749 2.495913 0.999489 3.154434 8.184689 0.561606 1.153047 -0.740543 -0.035051 0.005594 0.016835 0.039284 -0.001946 -0.000393 0.004852 0.030902 0.005593 -0.017693 0.003012 0.014681 1.721120 1.839765 -0.131572 -0.381920 1.325454 0.225227 1.998140 -0.000002 114 H 70.411720 29.926531 27.899487 0.119177 1.081358 0.75540931E+01 0.71692251E+02 1.619328 1.513658 -0.837487 2.483412 0.999332 3.162808 8.168359 0.567430 1.137376 -0.744523 -0.035842 0.000664 -0.018520 0.040349 -0.003684 0.002164 0.005375 0.031330 0.001321 -0.018011 0.001979 0.016032 1.699057 1.779140 0.053882 0.316474 1.321173 0.206410 1.996857 0.000006 115 H 70.402060 29.190290 26.136543 0.122963 1.087492 0.76243680E+01 0.72564274E+02 1.629923 1.524792 -0.861461 2.475003 0.999198 3.159358 8.184765 0.562780 1.143533 -0.743136 -0.035623 0.003397 0.016973 0.039606 -0.000387 -0.000704 0.004115 0.033525 0.005145 -0.018461 0.002510 0.015951 1.709152 1.796851 -0.064983 -0.321598 1.335744 0.203589 1.994860 0.000084 116 H 70.402060 28.710617 23.809613 0.126692 1.102496 0.79020090E+01 0.75810284E+02 1.644468 1.553935 -0.899665 2.463691 0.999042 3.130453 8.117180 0.557130 1.145933 -0.743451 -0.038743 -0.001233 -0.020263 0.043739 -0.001713 0.002770 0.003134 0.031966 -0.005187 -0.015975 -0.001325 0.017300 1.703811 1.851491 0.056918 0.334149 1.352550 0.117231 1.907394 -0.000217 117 H 74.498180 38.644296 18.753472 0.119868 1.070069 0.73954282E+01 0.69950433E+02 1.621623 1.507964 -0.815766 2.495909 0.999489 3.154390 8.184576 0.561603 1.153054 -0.740542 0.035049 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1.553991 -0.899659 2.463695 0.999042 3.130493 8.117381 0.557113 1.145948 -0.743447 0.038743 -0.019515 0.005591 0.043739 -0.002042 0.002539 -0.001770 0.018094 -0.046805 -0.015976 -0.001325 0.017301 1.703880 1.851566 -0.334031 0.057723 1.919515 -0.083196 1.340560 0.000215 121 H 79.454098 50.240094 33.022676 0.119866 1.070238 0.73969068E+01 0.69968884E+02 1.621915 1.508212 -0.815755 2.495914 0.999489 3.154503 8.185500 0.561495 1.153203 -0.740508 0.010515 0.008571 -0.036865 0.039282 -0.008811 -0.005247 -0.008940 -0.008108 0.028455 -0.017700 0.003015 0.014685 1.721451 1.561851 -0.184097 -0.419149 1.479025 0.072697 2.123476 -0.000001 122 H 77.956696 51.740464 34.083598 0.119177 1.081365 0.75541336E+01 0.71692502E+02 1.619310 1.513642 -0.837481 2.483415 0.999332 3.162811 8.168274 0.567445 1.137347 -0.744530 -0.015506 0.028981 -0.023405 0.040350 -0.009994 -0.002298 -0.009228 -0.009977 0.030485 -0.018010 0.001979 0.016031 1.699040 1.577013 -0.447475 -0.038048 1.967441 -0.093530 1.552667 -0.000009 123 H 76.942327 53.067930 35.010426 0.122963 1.087718 0.76263661E+01 0.72588773E+02 1.630252 1.525077 -0.861466 2.475001 0.999197 3.159452 8.185586 0.562674 1.143661 -0.743107 0.011898 0.010302 -0.036345 0.039606 -0.008362 -0.006343 -0.010697 -0.008372 0.026563 -0.018467 0.002513 0.015953 1.709515 1.583535 -0.179228 -0.402472 1.539108 0.056288 2.005903 -0.000087 124 H 75.319336 54.484636 36.012188 0.126692 1.102600 0.79029424E+01 0.75821582E+02 1.644596 1.554049 -0.899642 2.463703 0.999042 3.130477 8.117404 0.557096 1.145966 -0.743444 -0.015833 0.032742 -0.024298 0.043740 -0.007886 -0.001593 -0.011640 -0.009820 0.025427 -0.015978 -0.001324 0.017302 1.703950 1.612051 -0.384065 0.022361 1.941718 -0.175726 1.558082 0.000215 125 H 63.716883 49.236129 30.183033 0.119860 1.070088 0.73955827E+01 0.69952230E+02 1.621639 1.507977 -0.815741 2.495917 0.999489 3.154419 8.184659 0.561602 1.153051 -0.740543 0.022370 0.027558 0.016835 0.039285 0.014354 0.004398 -0.002086 -0.012079 0.005592 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0.018304 0.034169 -0.020263 0.043739 0.014698 0.001329 -0.003968 -0.013017 -0.005186 -0.015976 -0.001325 0.017301 1.703884 1.428046 0.187600 -0.065552 1.776122 -0.348019 1.907484 -0.000217 129 H 81.193017 44.868880 36.359256 0.119860 1.070260 0.73970839E+01 0.69970939E+02 1.621933 1.508226 -0.815738 2.495918 0.999489 3.154535 8.185591 0.561494 1.153198 -0.740509 -0.022370 0.025058 0.020371 0.039285 -0.008936 -0.012070 -0.000605 -0.007890 0.018183 -0.017700 0.003015 0.014685 1.721471 1.568276 -0.460252 -0.143360 2.091185 0.043680 1.504952 -0.000001 130 H 81.743675 42.821907 37.420178 0.119178 1.081364 0.75541296E+01 0.71692466E+02 1.619311 1.513643 -0.837486 2.483413 0.999332 3.162809 8.168273 0.567445 1.137348 -0.744529 -0.018497 -0.007226 0.035124 0.040349 -0.008504 -0.013335 -0.002296 -0.002877 0.020542 -0.018010 0.001979 0.016031 1.699041 1.388987 -0.076473 -0.154712 1.727993 -0.383181 1.980142 -0.000009 131 H 82.376448 41.285282 38.362781 0.122964 1.087712 0.76263087E+01 0.72588072E+02 1.630244 1.525070 -0.861462 2.475003 0.999198 3.159441 8.185542 0.562676 1.143659 -0.743108 -0.020753 0.025720 0.021827 0.039606 -0.008599 -0.012566 0.000592 -0.010320 0.022479 -0.018467 0.002513 0.015953 1.709507 1.507584 -0.395348 -0.106541 2.065350 0.021305 1.555587 -0.000087 132 H 82.791856 39.171377 39.364544 0.126693 1.102591 0.79028650E+01 0.75820630E+02 1.644585 1.554040 -0.899646 2.463702 0.999042 3.130462 8.117346 0.557099 1.145964 -0.743445 -0.018304 -0.007714 0.038970 0.043740 -0.006153 -0.013416 -0.000226 -0.002433 0.026566 -0.015977 -0.001324 0.017302 1.703939 1.428085 -0.000732 -0.198727 1.674205 -0.311984 2.009528 0.000215 133 H 76.237098 31.566341 33.022676 0.119858 1.070082 0.73955304E+01 0.69951537E+02 1.621623 1.507964 -0.815728 2.495922 0.999489 3.154427 8.184640 0.561609 1.153038 -0.740545 0.002165 -0.013393 -0.036868 0.039285 0.000895 -0.005119 0.009011 0.019307 0.028450 -0.017693 0.003011 0.014682 1.721118 1.658845 0.127870 0.272438 1.381486 0.326545 2.123024 -0.000002 134 H 78.285158 32.112944 34.083598 0.119178 1.081406 0.75544961E+01 0.71697010E+02 1.619379 1.513701 -0.837487 2.483413 0.999332 3.162817 8.168427 0.567420 1.137382 -0.744522 0.032851 -0.001062 -0.023404 0.040349 0.000678 -0.006843 0.006604 0.022300 0.030488 -0.018011 0.001979 0.016032 1.699114 2.257467 0.054676 -0.061996 1.287142 0.079720 1.552732 0.000006 135 H 79.941962 32.327681 35.010426 0.122963 1.087587 0.76251649E+01 0.72573563E+02 1.630013 1.524869 -0.861465 2.475001 0.999198 3.159355 8.184783 0.562768 1.143529 -0.743138 0.002972 -0.015454 -0.036345 0.039606 0.000556 -0.006093 0.010839 0.018664 0.026559 -0.018462 0.002511 0.015951 1.709250 1.705158 0.108821 0.249916 1.417020 0.320330 2.005573 0.000084 136 H 81.980361 33.024879 36.012188 0.126694 1.102494 0.79019326E+01 0.75808911E+02 1.644434 1.553904 -0.899643 2.463703 0.999042 3.130331 8.116670 0.557151 1.145899 -0.743461 0.036273 -0.002660 -0.024299 0.043740 -0.000310 -0.009285 0.007198 0.018566 0.025428 -0.015976 -0.001327 0.017302 1.703775 2.191657 0.049270 -0.163352 1.361736 0.068486 1.557932 -0.000217 137 H 68.672802 41.656191 18.753472 0.119858 1.070073 0.73954536E+01 0.69950705E+02 1.621620 1.507961 -0.815721 2.495925 0.999489 3.154429 8.184668 0.561606 1.153046 -0.740543 -0.002165 -0.039224 -0.000338 0.039285 0.004528 -0.002550 -0.000495 -0.007583 -0.052216 -0.017693 0.003012 0.014682 1.721116 1.658841 -0.299480 -0.029745 2.245876 0.020936 1.258631 -0.000001 138 H 66.624742 42.838639 18.915174 0.119178 1.081359 0.75541016E+01 0.71692374E+02 1.619331 1.513660 -0.837488 2.483412 0.999332 3.162809 8.168372 0.567428 1.137379 -0.744522 -0.032851 -0.022420 0.006800 0.040349 0.006226 -0.002920 -0.003157 -0.005313 -0.052349 -0.018011 0.001979 0.016032 1.699060 2.257382 0.040225 -0.072211 1.573284 -0.021461 1.266514 -0.000009 139 H 64.967939 43.784040 18.808688 0.122963 1.087496 0.76244028E+01 0.72564714E+02 1.629930 1.524798 -0.861464 2.475002 0.999198 3.159363 8.184794 0.562777 1.143537 -0.743135 -0.002972 -0.039418 -0.002455 0.039606 0.005558 -0.002555 0.001326 -0.008249 -0.054175 -0.018461 0.002511 0.015951 1.709159 1.705068 -0.271873 -0.019290 2.141389 0.064176 1.281020 -0.000087 140 H 62.929539 44.960910 19.132091 0.126691 1.102491 0.79019640E+01 0.75809757E+02 1.644465 1.553932 -0.899647 2.463699 0.999042 3.130444 8.117156 0.557129 1.145936 -0.743450 -0.036272 -0.023795 0.005591 0.043739 0.008855 -0.002802 -0.001313 -0.005512 -0.046802 -0.015975 -0.001325 0.017300 1.703808 2.191700 0.137587 -0.100904 1.579210 -0.008391 1.340513 0.000215 141 H 61.673653 43.689221 33.022676 0.119868 1.070053 0.73953014E+01 0.69948966E+02 1.621607 1.507950 -0.815764 2.495910 0.999489 3.154401 8.184601 0.561606 1.153053 -0.740542 -0.012680 0.004821 -0.036865 0.039282 0.007912 0.010363 -0.000073 -0.011203 0.028447 -0.017693 0.003012 0.014681 1.721100 1.340075 0.056164 0.146575 1.700226 -0.399203 2.123000 -0.000001 142 H 61.122996 41.642247 34.083598 0.119177 1.081358 0.75540892E+01 0.71692207E+02 1.619328 1.513657 -0.837479 2.483416 0.999332 3.162808 8.168359 0.567430 1.137376 -0.744523 -0.017346 -0.027919 -0.023404 0.040350 0.009317 0.009142 0.002624 -0.012323 0.030487 -0.018012 0.001979 0.016032 1.699056 1.482327 0.392803 0.100034 2.062158 0.013831 1.552684 -0.000009 143 H 60.480562 40.100045 35.010426 0.122963 1.087495 0.76243963E+01 0.72564635E+02 1.629929 1.524798 -0.861460 2.475003 0.999198 3.159359 8.184782 0.562777 1.143537 -0.743135 -0.014870 0.005153 -0.036345 0.039606 0.007803 0.012434 -0.000144 -0.010295 0.026558 -0.018462 0.002511 0.015951 1.709159 1.394749 0.070351 0.152443 1.727272 -0.376566 2.005455 -0.000087 144 H 60.065154 37.986141 36.012188 0.126693 1.102478 0.79018476E+01 0.75808381E+02 1.644455 1.553923 -0.899632 2.463709 0.999042 3.130420 8.117087 0.557129 1.145939 -0.743449 -0.020440 -0.030083 -0.024298 0.043740 0.008193 0.010876 0.004440 -0.008745 0.025425 -0.015974 -0.001325 0.017300 1.703797 1.526566 0.334736 0.140988 2.026873 0.107224 1.557954 0.000215 145 H 74.193869 45.195169 18.753472 0.119866 1.070062 0.73953712E+01 0.69949693E+02 1.621607 1.507951 -0.815757 2.495912 0.999489 3.154397 8.184557 0.561610 1.153043 -0.740544 -0.032884 0.021486 -0.000337 0.039282 -0.005547 0.000845 0.002456 -0.004052 -0.052215 -0.017693 0.003011 0.014682 1.721100 2.358444 -0.104449 0.033003 1.546231 0.015291 1.258623 -0.000001 146 H 76.241929 46.377617 18.915174 0.119177 1.081409 0.75545194E+01 0.71697266E+02 1.619380 1.513702 -0.837481 2.483414 0.999332 3.162823 8.168437 0.567421 1.137379 -0.744523 -0.002991 0.039660 0.006800 0.040350 -0.005413 -0.001275 0.004108 -0.008128 -0.052349 -0.018012 0.001979 0.016033 1.699115 1.709528 0.276129 0.017521 2.121271 0.073271 1.266545 -0.000009 147 H 77.889071 47.339750 18.808688 0.122963 1.087591 0.76251989E+01 0.72573970E+02 1.630016 1.524873 -0.861468 2.474999 0.999197 3.159362 8.184807 0.562768 1.143529 -0.743138 -0.032651 0.022283 -0.002455 0.039606 -0.006351 0.002425 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8.168272 0.567445 1.137348 -0.744530 0.017345 -0.031372 -0.018521 0.040349 -0.011724 -0.005737 -0.000813 -0.022043 0.001318 -0.018010 0.001979 0.016031 1.699040 1.482309 -0.225234 -0.336992 1.617957 0.170858 1.996855 0.000006 151 H 84.429338 46.374828 26.136543 0.122964 1.087712 0.76263101E+01 0.72588092E+02 1.630244 1.525070 -0.861463 2.475003 0.999198 3.159442 8.185546 0.562676 1.143659 -0.743108 0.014870 -0.032549 0.016973 0.039606 -0.014327 -0.003215 -0.002668 -0.017436 0.005150 -0.018466 0.002513 0.015953 1.709507 1.394993 -0.167225 -0.015522 1.738209 -0.380431 1.995319 0.000084 152 H 84.844746 46.614664 23.809613 0.126692 1.102602 0.79029601E+01 0.75821782E+02 1.644597 1.554050 -0.899657 2.463696 0.999042 3.130478 8.117404 0.557097 1.145965 -0.743445 0.020439 -0.032937 -0.020263 0.043740 -0.012986 -0.004101 0.000833 -0.018952 -0.005184 -0.015977 -0.001324 0.017302 1.703951 1.526691 -0.244533 -0.268635 1.677591 0.230791 1.907572 -0.000217 153 H 70.716031 32.746000 36.359256 0.119857 1.070093 0.73956232E+01 0.69952687E+02 1.621642 1.507979 -0.815727 2.495921 0.999489 3.154430 8.184684 0.561603 1.153048 -0.740543 0.032886 0.006844 0.020371 0.039285 0.001052 0.005512 0.010752 0.019413 0.018176 -0.017693 0.003012 0.014682 1.721140 2.358511 0.003702 0.109482 1.300214 0.102283 1.504694 -0.000002 154 H 68.667971 33.292603 37.420178 0.119178 1.081322 0.75538022E+01 0.71688959E+02 1.619302 1.513635 -0.837488 2.483412 0.999332 3.162825 8.168432 0.567429 1.137386 -0.744519 0.002990 0.019631 0.035125 0.040349 0.003006 0.004679 0.012698 0.016168 0.020540 -0.018011 0.001979 0.016032 1.699029 1.709444 -0.108552 -0.254476 1.407505 0.325575 1.980137 0.000006 155 H 67.020829 33.512918 38.362781 0.122963 1.087562 0.76249707E+01 0.72571444E+02 1.630003 1.524861 -0.861465 2.475001 0.999198 3.159370 8.184877 0.562762 1.143546 -0.743133 0.032651 0.005113 0.021827 0.039606 -0.000170 0.006796 0.010584 0.020046 0.022473 -0.018461 0.002511 0.015950 1.709239 2.267881 -0.043832 0.071709 1.304478 0.081594 1.555360 0.000084 156 H 64.982429 34.210116 39.364544 0.126694 1.102527 0.79022909E+01 0.75813780E+02 1.644515 1.553977 -0.899630 2.463711 0.999042 3.130452 8.117260 0.557114 1.145954 -0.743446 0.002471 0.019709 0.038970 0.043740 0.002023 0.006512 0.011730 0.011872 0.026566 -0.015975 -0.001325 0.017300 1.703862 1.613232 -0.106196 -0.170805 1.488921 0.328074 2.009435 -0.000218 157 H 22.412731 23.029847 3.080223 0.119857 1.070084 0.73955470E+01 0.69951723E+02 1.621624 1.507964 -0.815725 2.495922 0.999489 3.154431 8.184648 0.561610 1.153037 -0.740546 0.032886 -0.006844 -0.020371 0.039285 -0.001052 -0.005512 0.010752 0.019413 0.018176 -0.017693 0.003011 0.014682 1.721119 2.358478 -0.003701 -0.109480 1.300202 0.102281 1.504678 -0.000002 158 H 20.364671 22.483244 2.019301 0.119178 1.081407 0.75545099E+01 0.71697175E+02 1.619381 1.513703 -0.837489 2.483412 0.999332 3.162819 8.168435 0.567419 1.137382 -0.744522 0.002991 -0.019631 -0.035125 0.040349 -0.003007 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2.860151 -0.142110 39.773665 0.46068910E+03 0.10992353E+05 10.280771 7.212886 0.024495 1.970536 0.999605 30.129109 87.351304 0.606152 0.423488 -1.059393 0.006979 0.014159 0.010442 0.018927 0.004492 0.022201 -0.017480 -0.008740 0.093872 -0.033747 -0.009919 0.043666 14.972465 14.511765 9.576126 5.931394 18.106282 4.350116 12.299348 -0.000008 231 C 28.324089 4.320955 1.520786 -0.156281 39.433192 0.46932455E+03 0.11249245E+05 10.207020 7.283413 0.039306 1.974443 0.999519 30.303829 88.024666 0.602876 0.423865 -1.059277 -0.013934 -0.008433 -0.005704 0.017257 0.022318 0.002416 -0.026876 -0.038210 0.010370 -0.036791 -0.005793 0.042584 14.549262 15.054029 8.531435 6.837826 14.869692 4.429591 13.724065 -0.000508 232 C 27.362853 3.458103 0.910658 -0.100287 36.802052 0.44746136E+03 0.10589405E+05 9.710693 7.086871 -0.004227 1.963350 0.999533 29.625757 85.280716 0.614901 0.420906 -1.062001 0.007826 0.001177 0.017393 0.019109 -0.003469 0.017034 -0.017418 -0.009196 0.087504 -0.024973 -0.015746 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-0.024984 -0.015742 0.040726 13.428318 7.103280 -3.560905 0.184128 20.593296 -7.172544 12.588378 -0.001024 389 C 22.905908 25.369365 9.703295 -0.141459 40.069392 0.46260631E+03 0.11047724E+05 10.318943 7.221772 0.035992 1.973123 0.999582 30.158785 87.427871 0.606649 0.422773 -1.060018 0.004200 0.006212 0.019053 0.020476 0.010449 0.022322 0.004534 0.066568 0.005063 -0.035770 -0.010014 0.045784 14.990336 10.430630 -0.018732 -0.477841 7.677309 6.372818 26.863068 -0.000001 390 C 22.901561 25.775692 11.064351 -0.142108 39.774125 0.46069492E+03 0.10992522E+05 10.280868 7.212944 0.024491 1.970535 0.999605 30.129114 87.351335 0.606149 0.423490 -1.059393 0.000351 -0.010334 -0.015858 0.018931 -0.002661 -0.020907 0.008535 0.064838 -0.006938 -0.033750 -0.009915 0.043665 14.972696 10.133708 0.655210 1.303335 7.751666 6.463317 27.032714 0.000016 391 C 22.898662 26.699340 13.769111 -0.156282 39.433796 0.46933095E+03 0.11249453E+05 10.207199 7.283512 0.039319 1.974447 0.999519 30.303906 88.025531 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39.774821 0.46069936E+03 0.10992676E+05 10.281090 7.213038 0.024494 1.970536 0.999605 30.129294 87.352600 0.606136 0.423497 -1.059386 -0.006980 0.014159 0.010442 0.018927 -0.004504 -0.022207 -0.017480 -0.008745 0.093879 -0.033762 -0.009908 0.043670 14.973212 14.512565 -9.576882 -5.931709 18.107387 4.350525 12.299684 -0.000008 395 C 19.979211 4.320955 1.520786 -0.156281 39.434168 0.46933166E+03 0.11249502E+05 10.207292 7.283511 0.039316 1.974446 0.999519 30.304177 88.027155 0.602864 0.423870 -1.059270 0.013934 -0.008433 -0.005705 0.017257 -0.022329 -0.002423 -0.026878 -0.038211 0.010379 -0.036805 -0.005783 0.042588 14.549842 15.054635 -8.531926 -6.838112 14.870383 4.429790 13.724507 -0.000509 396 C 20.940447 3.458103 0.910658 -0.100289 36.804016 0.44748342E+03 0.10590111E+05 9.711207 7.087150 -0.004231 1.963350 0.999533 29.626472 85.284931 0.614872 0.420918 -1.061988 -0.007823 0.001180 0.017395 0.019109 0.003454 -0.017044 -0.017424 -0.009195 0.087507 -0.024985 -0.015740 0.040726 13.428343 14.136978 -8.310162 -5.146066 15.050651 3.218577 11.097399 -0.001025 397 C 30.875952 5.681607 5.543219 -0.141481 40.070276 0.46261867E+03 0.11048091E+05 10.319087 7.221869 0.035967 1.973113 0.999582 30.159153 87.429154 0.606645 0.422773 -1.060018 -0.011967 -0.010702 -0.012702 0.020471 0.007976 0.020568 -0.016590 0.006800 0.107544 -0.035759 -0.010017 0.045776 14.990553 14.459691 9.338262 6.138491 17.138984 4.452205 13.372985 -0.000001 398 C 29.999247 4.766604 4.901538 -0.142100 39.773477 0.46068609E+03 0.10992265E+05 10.280745 7.212867 0.024502 1.970539 0.999605 30.129018 87.351018 0.606153 0.423489 -1.059393 0.006983 0.014569 0.009872 0.018934 0.022432 -0.003163 -0.026970 -0.035590 0.013323 -0.033751 -0.009914 0.043665 14.972426 14.511725 8.784190 7.051302 15.678745 5.208347 14.726808 0.000016 399 C 28.324089 2.874129 3.566906 -0.156281 39.433225 0.46932514E+03 0.11249263E+05 10.207026 7.283417 0.039303 1.974441 0.999519 30.303847 88.024742 0.602876 0.423865 -1.059277 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9.380368 -0.989732 0.030210 25.087573 -2.011984 5.815298 -0.001025 405 C 27.944908 23.898556 5.543219 -0.141446 40.069355 0.46260672E+03 0.11047730E+05 10.318914 7.221761 0.036011 1.973128 0.999582 30.158778 87.427679 0.606652 0.422771 -1.060019 0.015241 -0.005020 -0.012714 0.020473 -0.006930 0.004091 0.026123 0.010432 0.107569 -0.035777 -0.010015 0.045792 14.990273 24.555788 -3.508881 -6.924818 7.042230 3.089943 13.372801 -0.000001 406 C 29.175676 23.596809 4.901538 -0.142110 39.773797 0.46069100E+03 0.10992407E+05 10.280809 7.212914 0.024508 1.970540 0.999605 30.129044 87.351084 0.606150 0.423490 -1.059392 -0.016103 -0.001237 0.009869 0.018927 0.004191 0.024936 0.010747 0.056643 0.013319 -0.033749 -0.009912 0.043661 14.972558 22.994489 -3.886817 -8.036359 7.196215 3.502484 14.726968 0.000017 407 C 31.652186 23.092316 3.566906 -0.156281 39.433529 0.46932974E+03 0.11249402E+05 10.207108 7.283478 0.039331 1.974452 0.999519 30.303806 88.024774 0.602870 0.423868 -1.059275 0.014059 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0.10992346E+05 10.280769 7.212884 0.024497 1.970537 0.999605 30.129107 87.351288 0.606153 0.423488 -1.059393 0.016103 0.008892 -0.004457 0.018927 -0.024914 0.004357 -0.002637 0.018792 -0.100223 -0.033747 -0.009920 0.043666 14.972468 22.994393 8.872236 0.985742 16.091525 0.357461 5.831485 -0.000008 411 C 16.651114 11.060351 20.582675 -0.156281 39.433103 0.46932354E+03 0.11249213E+05 10.207003 7.283403 0.039307 1.974443 0.999519 30.303797 88.024517 0.602877 0.423865 -1.059277 -0.014059 -0.008361 -0.005500 0.017257 -0.003628 0.002328 0.001285 -0.048005 -0.109756 -0.036791 -0.005793 0.042584 14.549235 24.285980 7.144423 1.674777 13.393900 0.971414 5.967826 -0.000508 412 C 15.423244 10.351440 20.407958 -0.100287 36.802067 0.44746184E+03 0.10589417E+05 9.710691 7.086872 -0.004228 1.963349 0.999533 29.625767 85.280710 0.614902 0.420905 -1.062001 0.018455 -0.004959 0.000037 0.019110 -0.027615 0.002487 -0.005132 0.013184 -0.071524 -0.024972 -0.015748 0.040720 13.427410 20.303084 7.296109 1.727277 14.163972 1.032129 5.815174 -0.001025 413 C 14.879832 7.152416 9.703295 -0.141459 40.069367 0.46260114E+03 0.11047596E+05 10.318942 7.221699 0.036012 1.973129 0.999582 30.159036 87.429260 0.606655 0.422769 -1.060018 -0.007480 0.000533 0.019053 0.020476 -0.034058 -0.015097 0.017062 -0.015196 0.005062 -0.035780 -0.010015 0.045795 14.990446 8.349522 -1.182953 -5.280309 9.758543 -3.600040 26.863274 -0.000002 414 C 14.530116 6.945487 11.064351 -0.142108 39.774860 0.46069951E+03 0.10992681E+05 10.281104 7.213045 0.024492 1.970535 0.999605 30.129288 87.352621 0.606135 0.423498 -1.059386 0.008773 0.005471 -0.015858 0.018931 -0.026754 0.003053 -0.022374 -0.037034 -0.006934 -0.033764 -0.009907 0.043670 14.973246 8.914866 -1.359054 -6.249448 8.970912 -2.102967 27.033961 0.000017 415 C 13.731662 6.481153 13.769111 -0.156281 39.434122 0.46933090E+03 0.11249478E+05 10.207283 7.283504 0.039316 1.974447 0.999519 30.304147 88.027017 0.602865 0.423870 -1.059270 -0.000336 0.000049 0.017254 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0.10970922E+05 8.005318 6.702512 0.330485 2.154565 0.999069 27.086469 70.558701 0.734623 0.357810 -1.137653 0.017336 -0.000151 -0.014462 0.022576 0.026236 0.009236 -0.009879 0.068006 0.119613 -0.064348 0.021485 0.042863 10.148926 16.708114 -2.815332 -1.181490 7.388434 0.375629 6.350229 0.049752 621 O 60.075297 36.249002 37.749497 -0.518856 31.498088 0.47082948E+03 0.10971225E+05 8.005415 6.702589 0.330463 2.154554 0.999069 27.086712 70.559598 0.734618 0.357810 -1.137652 -0.003182 0.021856 0.004681 0.022577 0.004757 -0.021357 0.037338 0.034813 -0.111921 -0.064348 0.021487 0.042861 10.149055 7.425978 3.306773 -0.594676 15.984116 -2.266901 7.037070 0.049796 622 O 58.197265 7.017996 19.380166 -0.518838 31.496849 0.47080775E+03 0.10970598E+05 8.005209 6.702438 0.330504 2.154573 0.999069 27.086308 70.558274 0.734626 0.357811 -1.137651 -0.008791 -0.014936 -0.014460 0.022571 0.016327 -0.013177 -0.003060 -0.079449 0.119623 -0.064351 0.021484 0.042867 10.148746 12.156254 5.443059 0.916025 11.939817 0.835368 6.350168 0.049716 623 O 36.531303 47.673568 21.592720 -0.518834 31.497888 0.47082447E+03 0.10971096E+05 8.005442 6.702590 0.330462 2.154558 0.999068 27.086531 70.559437 0.734611 0.357814 -1.137647 0.003182 0.011697 0.019036 0.022568 0.018547 -0.011612 0.041154 0.045608 -0.079513 -0.064346 0.021490 0.042855 10.149180 7.425994 -0.541582 -3.315946 6.606354 1.048622 16.415192 -0.049719 624 O 38.409335 20.611127 0.156575 -0.518860 31.499733 0.47085935E+03 0.10972106E+05 8.005742 6.702847 0.330408 2.154530 0.999068 27.087142 70.561526 0.734596 0.357815 -1.137647 0.008797 -0.018615 -0.009265 0.022578 0.006974 -0.019790 -0.008695 -0.095377 0.071824 -0.064350 0.021482 0.042867 10.149530 12.157351 -2.678277 -4.826900 7.496815 2.406590 10.794424 -0.049795 625 O 38.409335 35.164720 39.282904 -0.518847 31.498231 0.47083299E+03 0.10971348E+05 8.005484 6.702653 0.330459 2.154549 0.999069 27.086850 70.560509 0.734607 0.357814 -1.137647 0.008790 0.018612 0.009263 0.022572 -0.006982 0.019786 -0.008698 -0.095381 0.071812 -0.064349 0.021476 0.042872 10.149142 12.156798 2.678121 4.826657 7.496568 2.406475 10.794060 -0.049721 626 O 36.531303 8.102279 17.846759 -0.518837 31.497345 0.47081572E+03 0.10970818E+05 8.005269 6.702473 0.330494 2.154568 0.999069 27.086425 70.558427 0.734628 0.357808 -1.137654 0.003184 -0.011696 -0.019043 0.022574 -0.018550 0.011605 0.041157 0.045613 -0.079506 -0.064346 0.021487 0.042859 10.148856 7.425846 0.541587 3.315813 6.606235 1.048633 16.414487 -0.049757 627 O 58.197265 48.757851 20.059313 -0.518846 31.498425 0.47083476E+03 0.10971376E+05 8.005486 6.702639 0.330458 2.154556 0.999068 27.086578 70.559277 0.734614 0.357812 -1.137651 -0.008798 0.014938 0.014461 0.022576 -0.016333 0.013172 -0.003060 -0.079455 0.119606 -0.064352 0.021491 0.042861 10.149178 12.156878 -5.443388 -0.916102 11.940285 0.835430 6.350370 0.049752 628 O 60.075297 19.526845 1.689982 -0.518848 31.498658 0.47083832E+03 0.10971508E+05 8.005596 6.702708 0.330423 2.154541 0.999068 27.086810 70.560619 0.734601 0.357816 -1.137645 -0.003182 -0.021847 -0.004684 0.022569 -0.004762 0.021362 0.037337 0.034819 -0.111909 -0.064348 0.021485 0.042863 10.149402 7.426134 -3.306910 0.594731 15.984800 -2.267112 7.037272 0.049718 629 O 71.324170 27.585897 17.846759 -0.518840 31.498262 0.47083136E+03 0.10971274E+05 8.005441 6.702600 0.330467 2.154559 0.999068 27.086521 70.558977 0.734619 0.357810 -1.137653 0.008541 0.008607 -0.019037 0.022571 -0.010480 -0.041450 -0.010529 -0.054933 -0.079507 -0.064352 0.021493 0.042859 10.149118 7.280287 -0.625695 -2.566088 6.752049 2.347330 16.415017 -0.049730 630 O 46.948392 15.681101 39.282904 -0.518855 31.498845 0.47084269E+03 0.10971636E+05 8.005633 6.702746 0.330430 2.154540 0.999069 27.086970 70.561150 0.734598 0.357817 -1.137644 -0.020520 -0.001685 0.009265 0.022578 0.044786 -0.002367 0.021484 0.035589 0.071826 -0.064345 0.021482 0.042863 10.149446 10.981312 -3.357217 -4.497620 8.672684 2.976932 10.794342 0.049762 631 O 49.658208 42.263311 1.689982 -0.518845 31.496753 0.47080646E+03 0.10970556E+05 8.005175 6.702414 0.330516 2.154575 0.999069 27.086350 70.558256 0.734630 0.357809 -1.137653 0.020518 0.008170 -0.004679 0.022575 -0.012699 -0.043019 -0.000174 -0.025649 -0.111915 -0.064352 0.021487 0.042865 10.148687 10.980421 5.358894 1.665735 12.428800 1.648349 7.036840 -0.049767 632 O 25.282430 26.021385 20.059313 -0.518844 31.498101 0.47082964E+03 0.10971233E+05 8.005429 6.702600 0.330470 2.154556 0.999069 27.086704 70.559655 0.734616 0.357811 -1.137651 -0.008541 -0.015083 0.014461 0.022573 0.042561 -0.003937 0.012938 0.011434 0.119622 -0.064344 0.021478 0.042866 10.149085 7.280292 2.627899 -0.265443 16.816642 -1.211041 6.350320 0.049727 633 O 35.176395 21.873614 1.689982 -0.518859 31.498809 0.47084318E+03 0.10971634E+05 8.005567 6.702714 0.330435 2.154540 0.999069 27.087022 70.560899 0.734606 0.357813 -1.137649 -0.017337 0.013685 -0.004680 0.022578 0.017453 0.021652 -0.037167 -0.009182 -0.111918 -0.064345 0.021477 0.042869 10.149267 16.708680 -2.052449 -2.260615 6.701904 0.618461 7.037217 -0.049795 634 O 61.430205 8.884535 20.059313 -0.518838 31.496849 0.47080775E+03 0.10970598E+05 8.005210 6.702438 0.330501 2.154572 0.999069 27.086304 70.558269 0.734626 0.357811 -1.137651 0.017330 0.000146 0.014460 0.022571 -0.026239 -0.009238 -0.009882 0.068003 0.119623 -0.064351 0.021483 0.042867 10.148747 16.707754 2.815247 1.181465 7.388318 0.375618 6.350169 0.049716 635 O 37.054427 47.975595 17.846759 -0.518835 31.497884 0.47082419E+03 0.10971088E+05 8.005440 6.702587 0.330464 2.154558 0.999068 27.086534 70.559440 0.734612 0.357814 -1.137647 -0.011721 0.003093 -0.019036 0.022568 0.029023 0.029835 -0.030634 0.009321 -0.079513 -0.064346 0.021491 0.042856 10.149180 6.342237 0.084125 -0.749841 7.690106 -3.396008 16.415197 -0.049719 636 O 59.552173 32.817951 39.282904 -0.518857 31.498986 0.47084498E+03 0.10971677E+05 8.005584 6.702716 0.330435 2.154544 0.999068 27.086826 70.560193 0.734609 0.357812 -1.137651 0.011723 -0.016925 0.009265 0.022577 -0.037812 -0.017420 -0.012795 0.059766 0.071846 -0.064353 0.021492 0.042860 10.149310 6.342358 0.678904 -0.329256 13.311352 -5.383392 10.794219 0.049796 ****************************************************** Auxiliary information for the entire system The total spin magnetic moment of the unit cell is 0.000002 The total net atomic charge of the unit cell is 0.000020 Accuracy of reproducing the electrostatic potential in the unit cell: The inner radius (bohr) = 5.0000 The outer radius (bohr) = 12.0000 Valid grid points have density less than (e/(bohr^3)) = 0.0001 The number of valid grid points were= 11050048 The rms potential error without charges in kcal/mol is= 3.23554 The rms potential error with partial charges in kcal/mol is= 0.94223 The RRMSE value at monopole order= 0.29121 The rms potential error with partial charges and cloud penetration in kcal/mol is= 0.95061 The RRMSE value at monopole order with cloud penetration is= 0.29380 The rms potential error with partial charges and atomic dipoles in kcal/mol is= 0.23714 The RRMSE value at dipole order= 0.07329 The rms potential error with partial charges, atomic dipoles and cloud penetration in kcal/mol is= 0.23991 The RRMSE value at dipole order with cloud penetration= 0.07415 ****************************************************** The electron densities and ab initio electrostatic potential were computed in VASP using the PBE functional and projector augmented wave method. See the main text of the journal article for a description of computational details. The atomic charges, dipoles, and quadrupoles were computed with the DDEC6 method as described in (a) T. A. Manz and N. Gabaldon Limas, RSC Adv. 6 (2016) 47771-47801 DOI: 10.1039/c6ra04656h (b) N. Gabaldon Limas and T. A. Manz, RSC Adv. 8 (2018) 2678-2707 DOI: 10.1039/c7ra11829e. For each atom in the material, the electron cloud parameters were fit to the spherically averaged atom-in-material electron density using radial positions for which this density was between 10^-4 and 10^-2 electrons per cubic bohr. The polarizabilities, dispersion coefficients, and quantum Drude oscillator (QDO) parameters were fit using the MCLF method. The magnetic structure of the system was optimized in VASP from the default ferromagnetic initial guess using spin polarization. The atomic spin moments (ASMs) were computed on this optimized magnetic structure using the DDEC6 partition as inputs to the method of T. A. Manz and D. S. Sholl, J. Chem. Theory Comput. 7 (2011) 4146-4164 DOI: 10.1021/ct200539n. The RMSE and RRMSE were computed using a uniform grid with Ewald summation.