248 jmolscript: load "" {1 1 1} spacegroup "x,y,z" unitcell [{ 12.273100 0.000000 0.000000 }, { 0.000000 12.273100 0.000000 }, { 0.000000 0.000000 25.135000 }] Cd 9.204825 9.204825 23.205135 0.613818 Cd 3.068275 3.068275 10.637635 0.613818 Cd 3.068275 3.068275 1.929865 0.613818 Cd 9.204825 9.204825 14.497365 0.613818 H 11.278979 7.032486 21.852369 0.078209 H 11.477803 5.338798 20.311594 0.144117 H 7.775009 6.193006 19.077465 0.132444 H 7.682961 7.829010 20.683592 0.088858 H 7.949287 3.985076 18.293253 0.097533 H 8.507713 5.006197 17.232556 0.095344 H 7.384724 2.129383 16.611722 0.097209 H 8.364118 1.929331 15.392674 0.101313 H 5.147338 1.395451 12.497122 0.075989 H 6.631156 1.488727 14.259086 0.138045 H 6.134095 5.444347 14.226410 0.138698 H 4.642914 5.191521 12.509690 0.083598 H 6.243326 9.460105 23.815413 0.151394 H 7.130671 11.377164 21.852369 0.078209 H 6.931847 0.797751 20.311594 0.144117 H 10.634641 12.216644 19.077465 0.132444 H 10.726689 10.580640 20.683592 0.088858 H 10.460363 2.151474 18.293253 0.097533 H 9.901937 1.130353 17.232556 0.095344 H 11.024926 4.007167 16.611722 0.097209 H 10.045532 4.207219 15.392674 0.101313 H 0.989212 4.741099 12.497122 0.075989 H 11.778494 4.647823 14.259086 0.138045 H 0.002455 0.692203 14.226410 0.138698 H 1.493636 0.945029 12.509690 0.083598 H 12.166324 8.949545 23.815413 0.151394 H 5.240614 5.142429 9.284869 0.078209 H 6.934302 5.341253 7.744094 0.144117 H 6.080094 1.638459 6.509965 0.132444 H 4.444090 1.546411 8.116092 0.088858 H 8.288024 1.812737 5.725753 0.097533 H 7.266903 2.371163 4.665056 0.095344 H 10.143717 1.248174 4.044221 0.097209 H 10.343769 2.227568 2.825174 0.101313 H 10.877649 11.283888 25.064622 0.075989 H 10.784373 0.494606 1.691586 0.138045 H 6.828753 -0.002455 1.658910 0.138698 H 7.081579 10.779464 25.077190 0.083598 H 2.812995 0.106776 11.247912 0.151394 H 0.895936 0.994121 9.284869 0.078209 H 11.475349 0.795297 7.744094 0.144117 H 0.056456 4.498091 6.509965 0.132444 H 1.692460 4.590139 8.116092 0.088858 H 10.121626 4.323813 5.725753 0.097533 H 11.142747 3.765387 4.665056 0.095344 H 8.265933 4.888376 4.044221 0.097209 H 8.065881 3.908982 2.825174 0.101313 H 7.532001 7.125762 25.064622 0.075989 H 7.625277 5.641944 1.691586 0.138045 H 11.580897 6.139005 1.658910 0.138698 H 11.328071 7.630186 25.077190 0.083598 H 3.323555 6.029774 11.247912 0.151394 H 0.994121 5.240614 3.282631 0.078210 H 0.795297 6.934302 4.823407 0.144117 H 4.498091 6.080094 6.057535 0.132444 H 4.590139 4.444090 4.451409 0.088858 H 4.323813 8.288024 6.841747 0.097533 H 3.765387 7.266903 7.902444 0.095344 H 4.888376 10.143717 8.523279 0.097209 H 3.908982 10.343769 9.742326 0.101313 H 7.125762 10.877649 12.637878 0.075989 H 5.641944 10.784373 10.875915 0.138045 H 6.139005 6.828753 10.908590 0.138698 H 7.630186 7.081579 12.625311 0.083598 H 6.029774 2.812995 1.319588 0.151394 H 5.142429 0.895936 3.282631 0.078210 H 5.341253 11.475349 4.823407 0.144117 H 1.638459 0.056456 6.057535 0.132444 H 1.546411 1.692460 4.451409 0.088858 H 1.812737 10.121626 6.841747 0.097533 H 2.371163 11.142747 7.902444 0.095344 H 1.248174 8.265933 8.523279 0.097209 H 2.227568 8.065881 9.742326 0.101313 H 11.283888 7.532001 12.637878 0.075989 H 0.494606 7.625277 10.875915 0.138045 H -0.002455 11.580897 10.908590 0.138698 H 10.779464 11.328071 12.625311 0.083598 H 0.106776 3.323555 1.319588 0.151394 H 7.032486 7.130671 15.850131 0.078209 H 5.338798 6.931847 17.390907 0.144117 H 6.193006 10.634641 18.625035 0.132444 H 7.829010 10.726689 17.018909 0.088858 H 3.985076 10.460363 19.409247 0.097533 H 5.006197 9.901937 20.469944 0.095344 H 2.129383 11.024926 21.090778 0.097209 H 1.929331 10.045532 22.309826 0.101313 H 1.395451 0.989212 0.070378 0.075989 H 1.488727 11.778494 23.443415 0.138045 H 5.444347 0.002455 23.476090 0.138698 H 5.191521 1.493636 0.057811 0.083598 H 9.460105 12.166324 13.887088 0.151394 H 11.377164 11.278979 15.850131 0.078210 H 0.797751 11.477803 17.390907 0.144117 H 12.216644 7.775009 18.625035 0.132444 H 10.580640 7.682961 17.018909 0.088858 H 2.151474 7.949287 19.409247 0.097533 H 1.130353 8.507713 20.469944 0.095344 H 4.007167 7.384724 21.090778 0.097209 H 4.207219 8.364118 22.309826 0.101313 H 4.741099 5.147338 0.070378 0.075989 H 4.647823 6.631156 23.443415 0.138045 H 0.692203 6.134095 23.476090 0.138698 H 0.945029 4.642914 0.057811 0.083598 H 8.949545 6.243326 13.887088 0.151394 C 10.553639 6.847162 21.302918 0.088688 C 10.691097 5.830950 20.366891 -0.278480 C 9.636838 5.570760 19.525119 0.320019 C 8.500349 6.332920 19.640489 -0.298769 C 8.456166 7.317222 20.618241 0.117688 C 8.734765 4.241583 17.783767 -0.078540 C 8.047472 2.566305 16.053222 -0.077733 C 5.346162 2.228795 12.859066 0.114259 C 6.262963 2.266842 13.909709 -0.283243 C 6.594337 3.484333 14.395317 0.315446 C 5.957363 4.597503 13.884574 -0.276166 C 5.054063 4.433044 12.856552 0.085230 C 7.856011 11.562488 21.302918 0.088688 C 7.718553 0.305600 20.366891 -0.278480 C 8.772812 0.565790 19.525119 0.320019 C 9.909301 12.076730 19.640489 -0.298769 C 9.953484 11.092428 20.618241 0.117688 C 9.674885 1.894967 17.783767 -0.078540 C 10.362178 3.570245 16.053222 -0.077733 C 0.790388 3.907755 12.859066 0.114260 C 12.146687 3.869708 13.909709 -0.283243 C 11.815313 2.652217 14.395317 0.315446 C 0.179187 1.539047 13.884574 -0.276166 C 1.082487 1.703506 12.856552 0.085230 C 5.425938 4.417089 8.735418 0.088689 C 6.442150 4.554547 7.799391 -0.278480 C 6.702340 3.500288 6.957619 0.320019 C 5.940180 2.363799 7.072989 -0.298769 C 4.955878 2.319616 8.050741 0.117688 C 8.031517 2.598215 5.216267 -0.078540 C 9.706795 1.910922 3.485722 -0.077733 C 10.044305 11.482712 0.291566 0.114260 C 10.006258 0.126413 1.342209 -0.283243 C 8.788767 0.457787 1.827817 0.315446 C 7.675597 12.093913 1.317074 -0.276166 C 7.840056 11.190613 0.289053 0.085230 C 0.710612 1.719461 8.735418 0.088689 C 11.967500 1.582003 7.799391 -0.278480 C 11.707310 2.636262 6.957619 0.320019 C 0.196370 3.772751 7.072989 -0.298769 C 1.180672 3.816934 8.050741 0.117688 C 10.378133 3.538335 5.216267 -0.078540 C 8.702855 4.225628 3.485722 -0.077733 C 8.365345 6.926938 0.291566 0.114260 C 8.403392 6.010137 1.342209 -0.283243 C 9.620883 5.678763 1.827817 0.315446 C 10.734053 6.315737 1.317074 -0.276166 C 10.569594 7.219037 0.289053 0.085230 C 9.204825 3.068275 16.903288 0.088061 C 9.204825 3.068275 4.335787 0.088061 C 1.719461 5.425938 3.832082 0.088688 C 1.582003 6.442150 4.768110 -0.278480 C 2.636262 6.702340 5.609881 0.320019 C 3.772751 5.940180 5.494511 -0.298769 C 3.816934 4.955878 4.516760 0.117688 C 3.538335 8.031517 7.351233 -0.078540 C 4.225628 9.706795 9.081778 -0.077733 C 6.926938 10.044305 12.275934 0.114259 C 6.010137 10.006258 11.225291 -0.283243 C 5.678763 8.788767 10.739683 0.315446 C 6.315737 7.675597 11.250426 -0.276166 C 7.219037 7.840056 12.278448 0.085230 C 4.417089 0.710612 3.832082 0.088688 C 4.554547 11.967500 4.768110 -0.278480 C 3.500288 11.707310 5.609881 0.320019 C 2.363799 0.196370 5.494511 -0.298769 C 2.319616 1.180672 4.516760 0.117688 C 2.598215 10.378133 7.351233 -0.078540 C 1.910922 8.702855 9.081778 -0.077733 C 11.482712 8.365345 12.275934 0.114259 C 0.126413 8.403392 11.225291 -0.283243 C 0.457787 9.620883 10.739683 0.315446 C 12.093913 10.734053 11.250426 -0.276166 C 11.190613 10.569594 12.278448 0.085230 C 6.847162 7.856011 16.399582 0.088689 C 5.830950 7.718553 17.335610 -0.278480 C 5.570760 8.772812 18.177381 0.320019 C 6.332920 9.909301 18.062011 -0.298769 C 7.317222 9.953484 17.084260 0.117688 C 4.241583 9.674885 19.918733 -0.078540 C 2.566305 10.362178 21.649278 -0.077733 C 2.228795 0.790388 24.843434 0.114260 C 2.266842 12.146687 23.792791 -0.283243 C 3.484333 11.815313 23.307183 0.315446 C 4.597503 0.179187 23.817926 -0.276166 C 4.433044 1.082487 24.845948 0.085230 C 11.562488 10.553639 16.399582 0.088689 C 0.305600 10.691097 17.335610 -0.278480 C 0.565790 9.636838 18.177381 0.320019 C 12.076730 8.500349 18.062011 -0.298769 C 11.092428 8.456166 17.084260 0.117688 C 1.894967 8.734765 19.918733 -0.078540 C 3.570245 8.047472 21.649278 -0.077733 C 3.907755 5.346162 24.843434 0.114260 C 3.869708 6.262963 23.792791 -0.283243 C 2.652217 6.594337 23.307183 0.315446 C 1.539047 5.957363 23.817926 -0.276166 C 1.703506 5.054063 24.845948 0.085230 C 3.068275 9.204825 8.231713 0.088061 C 3.068275 9.204825 20.799213 0.088061 S 6.649320 8.884006 23.162908 -0.694472 S 11.760330 9.525644 23.162908 -0.694472 S 3.389094 0.512770 10.595408 -0.694472 S 2.747456 5.623780 10.595408 -0.694472 S 5.623780 3.389094 1.972092 -0.694472 S 0.512770 2.747456 1.972092 -0.694472 S 8.884006 11.760330 14.539592 -0.694472 S 9.525644 6.649320 14.539592 -0.694472 N 9.447832 7.574957 21.463782 -0.223579 N 4.739871 3.274463 12.337766 -0.224705 N 8.961818 10.834693 21.463782 -0.223579 N 1.396679 2.862087 12.337766 -0.224705 N 4.698143 3.311282 8.896282 -0.223579 N 8.998637 10.876421 24.905266 -0.224705 N 1.438407 2.825268 8.896282 -0.223579 N 9.411013 7.533229 24.905266 -0.224705 N 2.825268 4.698143 3.671218 -0.223579 N 7.533229 8.998637 12.797234 -0.224705 N 3.311282 1.438407 3.671218 -0.223579 N 10.876421 9.411013 12.797234 -0.224705 N 7.574957 8.961818 16.238718 -0.223579 N 3.274463 1.396679 0.229734 -0.224705 N 10.834693 9.447832 16.238718 -0.223579 N 2.862087 4.739871 0.229734 -0.224705 O 9.809889 4.569275 18.664748 -0.185147 O 7.476773 3.712613 15.405242 -0.194187 O 8.599761 1.567275 18.664748 -0.185147 O 10.932877 2.423937 15.405242 -0.194187 O 7.703825 3.673339 6.097248 -0.185147 O 8.560487 1.340223 2.837742 -0.194187 O 10.705825 2.463211 6.097248 -0.185147 O 9.849163 4.796327 2.837742 -0.194187 O 2.463211 7.703825 6.470252 -0.185147 O 4.796327 8.560487 9.729759 -0.194187 O 3.673339 10.705825 6.470252 -0.185147 O 1.340223 9.849163 9.729759 -0.194187 O 4.569275 8.599761 19.037752 -0.185147 O 3.712613 10.932877 22.297258 -0.194187 O 1.567275 9.809889 19.037752 -0.185147 O 2.423937 7.476773 22.297258 -0.194187 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 Cd 9.204825 9.204825 23.205135 0.613818 193.032700 0.47732425E+04 0.18665242E+06 26.711619 22.634845 1.388963 2.070164 0.996382 87.213619 240.834223 0.389147 0.402506 -1.174595 0.000000 -0.000000 -0.019014 0.019014 0.067468 0.000000 0.000000 0.162350 -0.230184 -0.076728 -0.067189 0.143917 31.446442 24.693848 -1.651890 -0.000000 31.959263 0.000001 37.686214 -0.000000 2 Cd 3.068275 3.068275 10.637635 0.613818 193.032681 0.47732424E+04 0.18665242E+06 26.711617 22.634845 1.388963 2.070164 0.996382 87.213620 240.834229 0.389147 0.402506 -1.174595 -0.000000 -0.000000 -0.019014 0.019014 -0.067468 0.000000 -0.000000 -0.162350 -0.230184 -0.076728 -0.067189 0.143917 31.446439 31.959261 1.651890 0.000000 24.693846 -0.000000 37.686211 -0.000000 3 Cd 3.068275 3.068275 1.929865 0.613818 193.032691 0.47732426E+04 0.18665243E+06 26.711618 22.634845 1.388963 2.070164 0.996382 87.213620 240.834227 0.389147 0.402506 -1.174595 -0.000000 0.000000 0.019014 0.019014 0.067468 0.000000 0.000000 0.162350 -0.230184 -0.076728 -0.067189 0.143917 31.446440 24.693848 -1.651892 -0.000000 31.959260 -0.000000 37.686211 -0.000001 4 Cd 9.204825 9.204825 14.497365 0.613818 193.032691 0.47732424E+04 0.18665242E+06 26.711618 22.634845 1.388963 2.070164 0.996382 87.213618 240.834220 0.389147 0.402506 -1.174595 -0.000000 -0.000000 0.019014 0.019014 -0.067468 0.000000 0.000000 -0.162350 -0.230184 -0.076728 -0.067189 0.143917 31.446440 31.959261 1.651891 -0.000000 24.693849 -0.000000 37.686211 -0.000000 5 H 11.278979 7.032486 21.852369 0.078209 1.175139 0.81972560E+01 0.81673644E+02 1.879139 1.696545 -1.263110 2.254342 0.994936 3.970393 11.520679 0.466874 1.316720 -0.697796 0.033608 0.003109 0.022699 0.040675 -0.012622 0.004002 0.004188 0.022588 0.001502 -0.018743 0.001814 0.016930 1.996529 2.304956 0.203614 0.667427 1.569708 0.215095 2.114923 -0.000000 6 H 11.477803 5.338798 20.311594 0.144117 1.068526 0.78071844E+01 0.74860455E+02 1.628614 1.562636 -0.865664 2.483692 0.999496 3.082065 8.054626 0.544623 1.172877 -0.737311 0.028540 -0.017645 -0.000196 0.033554 -0.007073 0.006118 0.008772 0.013235 -0.017181 -0.016844 0.003949 0.012895 1.630843 1.890861 -0.287094 0.062153 1.602576 0.068531 1.399092 -0.000001 7 H 7.775009 6.193006 19.077465 0.132444 1.067571 0.79857237E+01 0.78346941E+02 1.714046 1.643719 -1.271737 2.277476 0.996129 3.530947 9.875319 0.492069 1.268739 -0.710601 -0.026087 -0.003167 -0.016924 0.031257 -0.002602 0.004609 0.011860 0.015596 -0.014106 -0.017863 0.006334 0.011528 1.731371 1.843820 -0.007221 0.382107 1.563173 0.212728 1.787120 -0.000000 8 H 7.682961 7.829010 20.683592 0.088858 1.065766 0.75685044E+01 0.73978998E+02 1.779544 1.648874 -1.020300 2.387754 0.996720 3.720312 10.720331 0.465170 1.347089 -0.693271 -0.038630 0.023741 0.005248 0.045645 -0.005698 0.007263 0.008206 0.015224 -0.007660 -0.016120 0.003533 0.012587 1.844779 2.214400 -0.569311 -0.091859 1.817218 0.133234 1.502718 -0.000000 9 H 7.949287 3.985076 18.293253 0.097533 1.337669 0.11193178E+02 0.11824257E+03 1.943198 1.904730 -1.041758 2.372318 0.996154 3.660363 10.265674 0.477025 1.215472 -0.725822 -0.030022 -0.010316 0.016785 0.035909 0.005942 -0.000627 0.002573 0.029703 0.014878 -0.018771 0.005252 0.013519 1.960613 1.968204 0.203795 -0.296602 1.986702 -0.026788 1.926932 -0.000001 10 H 8.507713 5.006197 17.232556 0.095344 1.148061 0.89952244E+01 0.92305710E+02 1.900974 1.815986 -1.470374 2.162746 0.991816 4.161047 12.506178 0.434155 1.374815 -0.685999 -0.006255 0.026344 -0.019737 0.033506 -0.000740 0.002105 0.000270 0.000175 -0.030344 -0.010409 0.004472 0.005936 1.964907 1.552232 -0.174255 0.137917 2.326471 -0.249241 2.016018 -0.000000 11 H 7.384724 2.129383 16.611722 0.097209 1.370343 0.11375004E+02 0.12090535E+03 1.993880 1.936632 -0.985575 2.397954 0.996794 3.680574 10.426388 0.466056 1.236443 -0.721188 -0.024207 -0.015691 0.017844 0.033920 -0.000394 -0.007287 -0.003341 0.011192 -0.034118 -0.014280 0.000832 0.013448 2.026194 1.988910 0.255312 -0.182588 1.908144 -0.347855 2.181527 -0.000001 12 H 8.364118 1.929331 15.392674 0.101313 1.143544 0.89735263E+01 0.91861379E+02 1.879928 1.799090 -1.485460 2.154872 0.991662 4.151003 12.387652 0.442346 1.352615 -0.690042 0.013028 -0.017574 -0.026896 0.034669 -0.001913 -0.004416 -0.004007 -0.001344 0.041766 -0.010433 -0.004952 0.015385 1.940394 1.785752 -0.216996 -0.038630 2.013714 0.421097 2.021716 -0.000000 13 H 5.147338 1.395451 12.497122 0.075989 1.273095 0.91545713E+01 0.92791644E+02 1.909340 1.741082 -1.195546 2.279589 0.996969 3.831861 10.838514 0.486635 1.241744 -0.715532 -0.001954 -0.039001 -0.012583 0.041027 -0.010359 0.003416 -0.006479 -0.019089 -0.017598 -0.011233 -0.007920 0.019153 1.993292 1.658963 0.284140 0.280377 2.531065 0.511904 1.789847 -0.000001 14 H 6.631156 1.488727 14.259086 0.138045 1.163667 0.84618435E+01 0.84299508E+02 1.813376 1.686810 -1.446670 2.190527 0.994781 3.672776 10.379382 0.487582 1.260952 -0.711099 0.007071 -0.025308 0.010419 0.028268 0.009517 0.010556 -0.000154 -0.013483 0.005632 -0.017423 0.003973 0.013450 1.877743 1.733426 -0.356507 0.374049 2.198050 -0.264507 1.701753 -0.000001 15 H 6.134095 5.444347 14.226410 0.138698 1.031424 0.72061219E+01 0.69346259E+02 1.725048 1.597248 -1.105942 2.370851 0.996416 3.474606 9.826755 0.479414 1.327622 -0.698126 0.005197 0.029276 0.011745 0.031969 -0.004520 0.008596 0.004321 -0.016251 -0.008448 -0.015154 0.004008 0.011146 1.794827 1.451034 0.201353 0.188907 2.310879 0.327564 1.622567 -0.000000 16 H 4.642914 5.191521 12.509690 0.083598 1.245549 0.88013963E+01 0.88660359E+02 1.919329 1.735744 -1.152364 2.319750 0.994927 3.754663 10.713741 0.473671 1.283663 -0.707043 -0.020717 0.037802 -0.015248 0.045724 -0.007303 0.009626 0.001312 -0.022867 -0.019500 -0.018228 0.001308 0.016920 2.021951 1.870234 -0.449462 0.418959 2.330032 -0.493411 1.865587 -0.000000 17 H 6.243326 9.460105 23.815413 0.151394 0.781864 0.56319235E+01 0.50883736E+02 1.439837 1.417204 -1.148701 2.363960 0.998874 3.189697 8.699023 0.506926 1.337331 -0.697880 -0.023881 0.022892 0.027124 0.042779 -0.002441 -0.004127 0.008422 0.010207 -0.004495 -0.011509 0.001029 0.010479 1.461607 1.461305 0.001890 0.044273 1.475514 0.123479 1.448001 -0.000000 18 H 7.130671 11.377164 21.852369 0.078209 1.175139 0.81972560E+01 0.81673644E+02 1.879139 1.696545 -1.263110 2.254342 0.994936 3.970393 11.520679 0.466874 1.316720 -0.697796 -0.033608 -0.003109 0.022699 0.040675 -0.012622 -0.004002 -0.004188 0.022588 0.001502 -0.018743 0.001814 0.016930 1.996529 2.304956 0.203614 -0.667427 1.569708 -0.215095 2.114923 -0.000000 19 H 6.931847 0.797751 20.311594 0.144117 1.068526 0.78071829E+01 0.74860439E+02 1.628614 1.562636 -0.865664 2.483692 0.999496 3.082065 8.054627 0.544622 1.172877 -0.737311 -0.028540 0.017645 -0.000196 0.033554 -0.007073 -0.006118 -0.008772 0.013235 -0.017181 -0.016844 0.003949 0.012895 1.630843 1.890861 -0.287094 -0.062153 1.602575 -0.068531 1.399092 -0.000001 20 H 10.634641 12.216644 19.077465 0.132444 1.067571 0.79857241E+01 0.78346944E+02 1.714046 1.643719 -1.271737 2.277476 0.996129 3.530947 9.875318 0.492069 1.268738 -0.710601 0.026087 0.003167 -0.016924 0.031257 -0.002602 -0.004609 -0.011860 0.015596 -0.014106 -0.017863 0.006334 0.011528 1.731371 1.843819 -0.007221 -0.382107 1.563173 -0.212728 1.787120 -0.000000 21 H 10.726689 10.580640 20.683592 0.088858 1.065766 0.75685044E+01 0.73978998E+02 1.779544 1.648874 -1.020300 2.387754 0.996720 3.720312 10.720331 0.465170 1.347089 -0.693271 0.038630 -0.023741 0.005248 0.045645 -0.005698 -0.007263 -0.008206 0.015224 -0.007660 -0.016120 0.003533 0.012587 1.844779 2.214400 -0.569311 0.091859 1.817218 -0.133234 1.502718 -0.000000 22 H 10.460363 2.151474 18.293253 0.097533 1.337669 0.11193176E+02 0.11824253E+03 1.943198 1.904730 -1.041758 2.372318 0.996154 3.660363 10.265672 0.477025 1.215471 -0.725822 0.030022 0.010316 0.016785 0.035909 0.005942 0.000627 -0.002573 0.029703 0.014878 -0.018771 0.005252 0.013519 1.960612 1.968203 0.203795 0.296602 1.986701 0.026788 1.926932 -0.000001 23 H 9.901937 1.130353 17.232556 0.095344 1.148061 0.89952239E+01 0.92305703E+02 1.900973 1.815986 -1.470374 2.162746 0.991816 4.161047 12.506177 0.434155 1.374815 -0.685999 0.006255 -0.026344 -0.019737 0.033506 -0.000740 -0.002105 -0.000270 0.000175 -0.030344 -0.010409 0.004472 0.005936 1.964907 1.552232 -0.174255 -0.137917 2.326471 0.249241 2.016018 -0.000000 24 H 11.024926 4.007167 16.611722 0.097209 1.370343 0.11375006E+02 0.12090538E+03 1.993880 1.936633 -0.985576 2.397954 0.996794 3.680574 10.426389 0.466056 1.236443 -0.721188 0.024207 0.015691 0.017844 0.033920 -0.000394 0.007287 0.003341 0.011192 -0.034118 -0.014280 0.000832 0.013448 2.026194 1.988910 0.255312 0.182588 1.908144 0.347856 2.181528 -0.000001 25 H 10.045532 4.207219 15.392674 0.101313 1.143544 0.89735264E+01 0.91861379E+02 1.879928 1.799090 -1.485460 2.154872 0.991662 4.151003 12.387652 0.442346 1.352615 -0.690042 -0.013028 0.017574 -0.026896 0.034669 -0.001913 0.004416 0.004007 -0.001344 0.041766 -0.010433 -0.004952 0.015385 1.940394 1.785752 -0.216996 0.038630 2.013714 -0.421097 2.021716 -0.000000 26 H 0.989212 4.741099 12.497122 0.075989 1.273094 0.91545666E+01 0.92791592E+02 1.909340 1.741083 -1.195546 2.279589 0.996969 3.831860 10.838514 0.486635 1.241745 -0.715532 0.001954 0.039001 -0.012583 0.041027 -0.010359 -0.003416 0.006479 -0.019089 -0.017598 -0.011233 -0.007920 0.019153 1.993292 1.658963 0.284140 -0.280377 2.531065 -0.511904 1.789847 -0.000001 27 H 11.778494 4.647823 14.259086 0.138045 1.163666 0.84618387E+01 0.84299451E+02 1.813376 1.686810 -1.446669 2.190528 0.994781 3.672775 10.379380 0.487582 1.260953 -0.711098 -0.007071 0.025308 0.010419 0.028268 0.009517 -0.010556 0.000154 -0.013483 0.005632 -0.017423 0.003973 0.013450 1.877743 1.733426 -0.356507 -0.374049 2.198050 0.264507 1.701753 -0.000001 28 H 0.002455 0.692203 14.226410 0.138698 1.031424 0.72061225E+01 0.69346264E+02 1.725048 1.597248 -1.105942 2.370851 0.996416 3.474606 9.826754 0.479414 1.327621 -0.698126 -0.005197 -0.029276 0.011745 0.031969 -0.004520 -0.008596 -0.004321 -0.016251 -0.008448 -0.015154 0.004008 0.011146 1.794826 1.451034 0.201352 -0.188907 2.310878 -0.327564 1.622567 -0.000000 29 H 1.493636 0.945029 12.509690 0.083598 1.245549 0.88013976E+01 0.88660376E+02 1.919329 1.735744 -1.152364 2.319750 0.994927 3.754663 10.713741 0.473671 1.283663 -0.707043 0.020717 -0.037802 -0.015248 0.045724 -0.007303 -0.009626 -0.001312 -0.022867 -0.019500 -0.018228 0.001308 0.016920 2.021951 1.870234 -0.449462 -0.418959 2.330032 0.493411 1.865587 -0.000000 30 H 12.166324 8.949545 23.815413 0.151394 0.781864 0.56319235E+01 0.50883736E+02 1.439837 1.417204 -1.148701 2.363960 0.998874 3.189697 8.699023 0.506926 1.337331 -0.697880 0.023881 -0.022892 0.027124 0.042779 -0.002441 0.004127 -0.008422 0.010207 -0.004495 -0.011509 0.001029 0.010479 1.461607 1.461305 0.001890 -0.044273 1.475514 -0.123479 1.448001 -0.000000 31 H 5.240614 5.142429 9.284869 0.078209 1.175139 0.81972552E+01 0.81673636E+02 1.879139 1.696545 -1.263110 2.254342 0.994936 3.970393 11.520680 0.466873 1.316720 -0.697796 -0.003109 0.033608 0.022699 0.040675 0.012622 -0.004188 0.004002 -0.022588 0.001502 -0.018743 0.001814 0.016930 1.996529 1.569708 -0.203614 -0.215095 2.304957 0.667428 2.114924 -0.000000 32 H 6.934302 5.341253 7.744094 0.144117 1.068527 0.78071881E+01 0.74860499E+02 1.628614 1.562636 -0.865664 2.483692 0.999496 3.082066 8.054629 0.544623 1.172877 -0.737311 0.017645 0.028540 -0.000196 0.033554 0.007073 -0.008772 0.006118 -0.013235 -0.017181 -0.016844 0.003949 0.012895 1.630843 1.602576 0.287094 -0.068531 1.890861 0.062153 1.399092 -0.000001 33 H 6.080094 1.638459 6.509965 0.132444 1.067571 0.79857237E+01 0.78346942E+02 1.714046 1.643719 -1.271737 2.277476 0.996129 3.530947 9.875319 0.492069 1.268739 -0.710601 0.003167 -0.026087 -0.016924 0.031257 0.002602 -0.011860 0.004609 -0.015596 -0.014106 -0.017863 0.006334 0.011528 1.731371 1.563173 0.007221 -0.212728 1.843820 0.382107 1.787120 -0.000000 34 H 4.444090 1.546411 8.116092 0.088858 1.065766 0.75685037E+01 0.73978991E+02 1.779544 1.648875 -1.020300 2.387754 0.996720 3.720312 10.720332 0.465169 1.347090 -0.693271 -0.023741 -0.038630 0.005248 0.045645 0.005698 -0.008206 0.007263 -0.015224 -0.007660 -0.016120 0.003533 0.012587 1.844779 1.817218 0.569311 -0.133234 2.214401 -0.091859 1.502718 -0.000000 35 H 8.288024 1.812737 5.725753 0.097533 1.337669 0.11193172E+02 0.11824248E+03 1.943198 1.904730 -1.041758 2.372318 0.996154 3.660362 10.265670 0.477025 1.215472 -0.725822 0.010316 -0.030022 0.016785 0.035909 -0.005942 -0.002573 -0.000627 -0.029703 0.014877 -0.018771 0.005252 0.013519 1.960612 1.986701 -0.203795 0.026788 1.968203 -0.296602 1.926932 -0.000001 36 H 7.266903 2.371163 4.665056 0.095344 1.148061 0.89952298E+01 0.92305774E+02 1.900973 1.815986 -1.470374 2.162746 0.991816 4.161048 12.506179 0.434156 1.374815 -0.685999 -0.026344 -0.006255 -0.019737 0.033506 0.000740 -0.000270 0.002105 -0.000175 -0.030344 -0.010409 0.004472 0.005936 1.964907 2.326471 0.174254 0.249241 1.552232 0.137917 2.016018 -0.000000 37 H 10.143717 1.248174 4.044221 0.097209 1.370342 0.11374996E+02 0.12090526E+03 1.993880 1.936632 -0.985575 2.397954 0.996794 3.680573 10.426387 0.466056 1.236444 -0.721188 0.015691 -0.024207 0.017844 0.033920 0.000394 0.003341 -0.007287 -0.011192 -0.034118 -0.014280 0.000832 0.013448 2.026194 1.908144 -0.255312 0.347855 1.988911 -0.182588 2.181526 -0.000001 38 H 10.343769 2.227568 2.825174 0.101313 1.143544 0.89735267E+01 0.91861383E+02 1.879929 1.799090 -1.485460 2.154872 0.991662 4.151003 12.387652 0.442346 1.352615 -0.690042 0.017574 0.013028 -0.026896 0.034669 0.001913 0.004007 -0.004416 0.001344 0.041766 -0.010433 -0.004952 0.015385 1.940394 2.013715 0.216996 -0.421097 1.785752 -0.038630 2.021716 -0.000000 39 H 10.877649 11.283888 25.064622 0.075989 1.273094 0.91545666E+01 0.92791593E+02 1.909340 1.741083 -1.195546 2.279589 0.996969 3.831860 10.838514 0.486635 1.241745 -0.715532 0.039001 -0.001954 -0.012583 0.041027 0.010359 0.006479 0.003416 0.019089 -0.017598 -0.011233 -0.007920 0.019153 1.993292 2.531065 -0.284140 -0.511904 1.658963 0.280377 1.789847 -0.000001 40 H 10.784373 0.494606 1.691586 0.138045 1.163666 0.84618383E+01 0.84299448E+02 1.813376 1.686810 -1.446670 2.190528 0.994781 3.672775 10.379381 0.487581 1.260953 -0.711098 0.025308 0.007071 0.010419 0.028268 -0.009517 0.000154 0.010556 0.013483 0.005632 -0.017423 0.003973 0.013450 1.877743 2.198050 0.356507 0.264507 1.733426 0.374049 1.701753 -0.000001 41 H 6.828753 -0.002455 1.658910 0.138698 1.031424 0.72061221E+01 0.69346262E+02 1.725048 1.597248 -1.105942 2.370851 0.996416 3.474606 9.826755 0.479414 1.327622 -0.698126 -0.029276 0.005197 0.011745 0.031969 0.004520 -0.004321 0.008596 0.016251 -0.008448 -0.015154 0.004008 0.011146 1.794827 2.310879 -0.201353 -0.327564 1.451034 0.188907 1.622567 -0.000000 42 H 7.081579 10.779464 25.077190 0.083598 1.245549 0.88013993E+01 0.88660396E+02 1.919330 1.735744 -1.152364 2.319750 0.994927 3.754663 10.713741 0.473671 1.283663 -0.707043 -0.037802 -0.020717 -0.015248 0.045724 0.007303 -0.001312 0.009626 0.022867 -0.019500 -0.018228 0.001308 0.016920 2.021951 2.330032 0.449462 0.493412 1.870234 0.418960 1.865588 -0.000000 43 H 2.812995 0.106776 11.247912 0.151394 0.781864 0.56319216E+01 0.50883715E+02 1.439837 1.417203 -1.148701 2.363960 0.998874 3.189697 8.699023 0.506926 1.337331 -0.697880 -0.022892 -0.023881 0.027124 0.042779 0.002441 -0.008422 -0.004127 -0.010207 -0.004495 -0.011509 0.001029 0.010479 1.461606 1.475514 -0.001889 -0.123479 1.461305 0.044273 1.448001 -0.000000 44 H 0.895936 0.994121 9.284869 0.078209 1.175139 0.81972552E+01 0.81673636E+02 1.879139 1.696545 -1.263110 2.254342 0.994936 3.970393 11.520680 0.466873 1.316720 -0.697796 0.003109 -0.033608 0.022699 0.040675 0.012622 0.004188 -0.004002 -0.022588 0.001502 -0.018743 0.001814 0.016930 1.996529 1.569708 -0.203614 0.215095 2.304956 -0.667428 2.114924 -0.000000 45 H 11.475349 0.795297 7.744094 0.144117 1.068526 0.78071817E+01 0.74860425E+02 1.628614 1.562636 -0.865664 2.483692 0.999496 3.082065 8.054627 0.544622 1.172877 -0.737311 -0.017645 -0.028540 -0.000196 0.033554 0.007073 0.008772 -0.006118 -0.013235 -0.017181 -0.016844 0.003949 0.012895 1.630843 1.602575 0.287094 0.068531 1.890861 -0.062153 1.399092 -0.000001 46 H 0.056456 4.498091 6.509965 0.132444 1.067571 0.79857237E+01 0.78346941E+02 1.714046 1.643719 -1.271737 2.277476 0.996129 3.530947 9.875319 0.492069 1.268739 -0.710601 -0.003167 0.026087 -0.016924 0.031257 0.002602 0.011860 -0.004609 -0.015596 -0.014106 -0.017863 0.006334 0.011528 1.731371 1.563173 0.007221 0.212728 1.843820 -0.382107 1.787120 -0.000000 47 H 1.692460 4.590139 8.116092 0.088858 1.065766 0.75685044E+01 0.73978998E+02 1.779544 1.648874 -1.020300 2.387754 0.996720 3.720312 10.720331 0.465170 1.347089 -0.693271 0.023741 0.038630 0.005248 0.045645 0.005698 0.008206 -0.007263 -0.015224 -0.007660 -0.016120 0.003533 0.012587 1.844779 1.817217 0.569311 0.133234 2.214400 0.091859 1.502718 -0.000000 48 H 10.121626 4.323813 5.725753 0.097533 1.337669 0.11193172E+02 0.11824249E+03 1.943198 1.904730 -1.041758 2.372318 0.996154 3.660362 10.265671 0.477025 1.215472 -0.725822 -0.010316 0.030022 0.016785 0.035909 -0.005942 0.002573 0.000627 -0.029703 0.014877 -0.018771 0.005252 0.013519 1.960612 1.986701 -0.203795 -0.026788 1.968203 0.296602 1.926932 -0.000001 49 H 11.142747 3.765387 4.665056 0.095344 1.148061 0.89952307E+01 0.92305784E+02 1.900973 1.815986 -1.470374 2.162746 0.991816 4.161048 12.506178 0.434156 1.374814 -0.685999 0.026344 0.006255 -0.019737 0.033506 0.000740 0.000270 -0.002105 -0.000175 -0.030344 -0.010409 0.004472 0.005936 1.964907 2.326471 0.174254 -0.249241 1.552232 -0.137917 2.016018 -0.000000 50 H 8.265933 4.888376 4.044221 0.097209 1.370343 0.11375000E+02 0.12090531E+03 1.993880 1.936632 -0.985576 2.397954 0.996794 3.680574 10.426388 0.466056 1.236443 -0.721188 -0.015691 0.024207 0.017844 0.033920 0.000394 -0.003341 0.007287 -0.011192 -0.034118 -0.014280 0.000832 0.013448 2.026193 1.908144 -0.255312 -0.347855 1.988911 0.182588 2.181526 -0.000001 51 H 8.065881 3.908982 2.825174 0.101313 1.143544 0.89735267E+01 0.91861383E+02 1.879929 1.799090 -1.485460 2.154872 0.991662 4.151003 12.387652 0.442346 1.352615 -0.690042 -0.017574 -0.013028 -0.026896 0.034669 0.001913 -0.004007 0.004416 0.001344 0.041766 -0.010433 -0.004952 0.015385 1.940394 2.013715 0.216996 0.421097 1.785752 0.038630 2.021716 -0.000000 52 H 7.532001 7.125762 25.064622 0.075989 1.273095 0.91545726E+01 0.92791660E+02 1.909340 1.741083 -1.195547 2.279589 0.996969 3.831861 10.838514 0.486635 1.241744 -0.715532 -0.039001 0.001954 -0.012583 0.041027 0.010359 -0.006479 -0.003416 0.019089 -0.017598 -0.011233 -0.007920 0.019153 1.993292 2.531065 -0.284140 0.511904 1.658963 -0.280377 1.789847 -0.000001 53 H 7.625277 5.641944 1.691586 0.138045 1.163666 0.84618387E+01 0.84299451E+02 1.813376 1.686810 -1.446669 2.190528 0.994781 3.672775 10.379380 0.487582 1.260953 -0.711098 -0.025308 -0.007071 0.010419 0.028268 -0.009517 -0.000154 -0.010556 0.013483 0.005632 -0.017423 0.003973 0.013450 1.877743 2.198050 0.356507 -0.264507 1.733426 -0.374049 1.701752 -0.000001 54 H 11.580897 6.139005 1.658910 0.138698 1.031425 0.72061226E+01 0.69346266E+02 1.725048 1.597248 -1.105942 2.370851 0.996416 3.474606 9.826754 0.479414 1.327621 -0.698126 0.029276 -0.005197 0.011745 0.031969 0.004520 0.004321 -0.008596 0.016251 -0.008448 -0.015154 0.004008 0.011146 1.794827 2.310879 -0.201353 0.327564 1.451034 -0.188907 1.622567 -0.000000 55 H 11.328071 7.630186 25.077190 0.083598 1.245549 0.88014006E+01 0.88660413E+02 1.919330 1.735744 -1.152364 2.319750 0.994927 3.754663 10.713741 0.473671 1.283663 -0.707043 0.037802 0.020717 -0.015248 0.045724 0.007303 0.001312 -0.009626 0.022867 -0.019500 -0.018228 0.001308 0.016920 2.021952 2.330032 0.449462 -0.493412 1.870234 -0.418960 1.865588 -0.000000 56 H 3.323555 6.029774 11.247912 0.151394 0.781864 0.56319216E+01 0.50883715E+02 1.439837 1.417203 -1.148701 2.363960 0.998874 3.189697 8.699023 0.506926 1.337331 -0.697880 0.022892 0.023881 0.027124 0.042779 0.002441 0.008422 0.004127 -0.010207 -0.004495 -0.011509 0.001029 0.010479 1.461606 1.475514 -0.001889 0.123479 1.461305 -0.044273 1.448001 -0.000000 57 H 0.994121 5.240614 3.282631 0.078210 1.175138 0.81972516E+01 0.81673592E+02 1.879139 1.696544 -1.263109 2.254342 0.994936 3.970392 11.520677 0.466874 1.316720 -0.697796 -0.033608 -0.003109 -0.022699 0.040675 -0.012622 0.004002 0.004188 0.022588 0.001502 -0.018743 0.001814 0.016930 1.996529 2.304956 0.203614 0.667427 1.569708 0.215095 2.114923 -0.000000 58 H 0.795297 6.934302 4.823407 0.144117 1.068527 0.78071881E+01 0.74860499E+02 1.628614 1.562636 -0.865664 2.483692 0.999496 3.082066 8.054629 0.544623 1.172877 -0.737311 -0.028540 0.017645 0.000196 0.033554 -0.007073 0.006118 0.008772 0.013235 -0.017181 -0.016844 0.003949 0.012895 1.630843 1.890861 -0.287094 0.062153 1.602576 0.068531 1.399092 -0.000001 59 H 4.498091 6.080094 6.057535 0.132444 1.067571 0.79857282E+01 0.78346995E+02 1.714047 1.643719 -1.271738 2.277475 0.996129 3.530948 9.875322 0.492069 1.268738 -0.710601 0.026087 0.003167 0.016924 0.031257 -0.002602 0.004609 0.011860 0.015596 -0.014106 -0.017863 0.006334 0.011528 1.731371 1.843820 -0.007220 0.382107 1.563173 0.212728 1.787120 -0.000000 60 H 4.590139 4.444090 4.451409 0.088858 1.065766 0.75685044E+01 0.73978998E+02 1.779544 1.648874 -1.020300 2.387754 0.996720 3.720312 10.720331 0.465170 1.347089 -0.693271 0.038630 -0.023741 -0.005248 0.045645 -0.005698 0.007263 0.008206 0.015224 -0.007660 -0.016120 0.003533 0.012587 1.844779 2.214400 -0.569311 -0.091859 1.817218 0.133234 1.502718 -0.000000 61 H 4.323813 8.288024 6.841747 0.097533 1.337669 0.11193176E+02 0.11824254E+03 1.943198 1.904730 -1.041758 2.372318 0.996154 3.660363 10.265673 0.477025 1.215471 -0.725822 0.030022 0.010316 -0.016785 0.035909 0.005942 -0.000627 0.002573 0.029703 0.014877 -0.018771 0.005252 0.013519 1.960612 1.968203 0.203795 -0.296602 1.986701 -0.026788 1.926932 -0.000001 62 H 3.765387 7.266903 7.902444 0.095344 1.148061 0.89952229E+01 0.92305691E+02 1.900973 1.815986 -1.470374 2.162746 0.991816 4.161047 12.506178 0.434155 1.374815 -0.685999 0.006255 -0.026344 0.019737 0.033506 -0.000740 0.002105 0.000270 0.000175 -0.030344 -0.010409 0.004472 0.005936 1.964907 1.552232 -0.174254 0.137917 2.326471 -0.249241 2.016018 -0.000000 63 H 4.888376 10.143717 8.523279 0.097209 1.370343 0.11374998E+02 0.12090528E+03 1.993880 1.936632 -0.985575 2.397954 0.996794 3.680574 10.426388 0.466056 1.236443 -0.721188 0.024207 0.015691 -0.017844 0.033920 -0.000394 -0.007287 -0.003341 0.011192 -0.034118 -0.014280 0.000832 0.013448 2.026193 1.988910 0.255312 -0.182588 1.908143 -0.347855 2.181526 -0.000001 64 H 3.908982 10.343769 9.742326 0.101313 1.143544 0.89735269E+01 0.91861388E+02 1.879929 1.799091 -1.485460 2.154872 0.991662 4.151003 12.387653 0.442346 1.352615 -0.690042 -0.013028 0.017574 0.026896 0.034669 -0.001913 -0.004416 -0.004007 -0.001344 0.041766 -0.010433 -0.004952 0.015385 1.940394 1.785752 -0.216996 -0.038630 2.013715 0.421097 2.021716 -0.000000 65 H 7.125762 10.877649 12.637878 0.075989 1.273094 0.91545666E+01 0.92791592E+02 1.909340 1.741083 -1.195546 2.279589 0.996969 3.831860 10.838514 0.486635 1.241745 -0.715532 0.001954 0.039001 0.012583 0.041027 -0.010359 0.003416 -0.006479 -0.019089 -0.017598 -0.011233 -0.007920 0.019153 1.993292 1.658963 0.284140 0.280377 2.531065 0.511904 1.789847 -0.000001 66 H 5.641944 10.784373 10.875915 0.138045 1.163667 0.84618413E+01 0.84299478E+02 1.813376 1.686810 -1.446670 2.190528 0.994781 3.672776 10.379381 0.487582 1.260952 -0.711099 -0.007071 0.025308 -0.010419 0.028268 0.009517 0.010556 -0.000154 -0.013483 0.005632 -0.017423 0.003973 0.013450 1.877742 1.733426 -0.356507 0.374049 2.198050 -0.264506 1.701752 -0.000001 67 H 6.139005 6.828753 10.908590 0.138698 1.031424 0.72061218E+01 0.69346254E+02 1.725047 1.597248 -1.105941 2.370852 0.996416 3.474606 9.826753 0.479414 1.327621 -0.698126 -0.005197 -0.029276 -0.011745 0.031969 -0.004520 0.008596 0.004321 -0.016251 -0.008448 -0.015154 0.004008 0.011146 1.794826 1.451034 0.201352 0.188907 2.310878 0.327564 1.622567 -0.000000 68 H 7.630186 7.081579 12.625311 0.083598 1.245549 0.88013992E+01 0.88660395E+02 1.919330 1.735744 -1.152364 2.319750 0.994927 3.754663 10.713741 0.473671 1.283663 -0.707043 0.020716 -0.037802 0.015248 0.045724 -0.007303 0.009626 0.001312 -0.022867 -0.019500 -0.018228 0.001308 0.016920 2.021951 1.870234 -0.449462 0.418960 2.330032 -0.493412 1.865588 -0.000000 69 H 6.029774 2.812995 1.319588 0.151394 0.781864 0.56319216E+01 0.50883715E+02 1.439837 1.417203 -1.148701 2.363960 0.998874 3.189697 8.699023 0.506926 1.337331 -0.697880 0.023881 -0.022892 -0.027124 0.042779 -0.002441 -0.004127 0.008422 0.010207 -0.004495 -0.011509 0.001029 0.010479 1.461606 1.461305 0.001890 0.044273 1.475514 0.123479 1.448001 -0.000000 70 H 5.142429 0.895936 3.282631 0.078210 1.175138 0.81972516E+01 0.81673592E+02 1.879139 1.696544 -1.263109 2.254342 0.994936 3.970392 11.520677 0.466874 1.316720 -0.697796 0.033608 0.003109 -0.022699 0.040675 -0.012622 -0.004002 -0.004188 0.022588 0.001502 -0.018743 0.001814 0.016930 1.996529 2.304956 0.203614 -0.667427 1.569708 -0.215095 2.114923 -0.000000 71 H 5.341253 11.475349 4.823407 0.144117 1.068526 0.78071829E+01 0.74860439E+02 1.628614 1.562636 -0.865664 2.483692 0.999496 3.082065 8.054627 0.544622 1.172877 -0.737311 0.028540 -0.017645 0.000196 0.033554 -0.007073 -0.006118 -0.008772 0.013235 -0.017181 -0.016844 0.003949 0.012895 1.630843 1.890861 -0.287094 -0.062153 1.602575 -0.068531 1.399092 -0.000001 72 H 1.638459 0.056456 6.057535 0.132444 1.067572 0.79857290E+01 0.78347007E+02 1.714047 1.643720 -1.271738 2.277475 0.996129 3.530948 9.875323 0.492069 1.268739 -0.710601 -0.026087 -0.003167 0.016924 0.031257 -0.002602 -0.004609 -0.011860 0.015596 -0.014106 -0.017863 0.006334 0.011528 1.731371 1.843820 -0.007220 -0.382107 1.563173 -0.212728 1.787121 -0.000000 73 H 1.546411 1.692460 4.451409 0.088858 1.065766 0.75685044E+01 0.73978998E+02 1.779544 1.648874 -1.020300 2.387754 0.996720 3.720312 10.720331 0.465170 1.347089 -0.693271 -0.038630 0.023741 -0.005248 0.045645 -0.005698 -0.007263 -0.008206 0.015224 -0.007660 -0.016120 0.003533 0.012587 1.844779 2.214400 -0.569311 0.091859 1.817218 -0.133234 1.502718 -0.000000 74 H 1.812737 10.121626 6.841747 0.097533 1.337669 0.11193178E+02 0.11824257E+03 1.943198 1.904730 -1.041758 2.372318 0.996154 3.660363 10.265674 0.477025 1.215472 -0.725822 -0.030022 -0.010316 -0.016785 0.035909 0.005942 0.000627 -0.002573 0.029703 0.014878 -0.018771 0.005252 0.013519 1.960613 1.968204 0.203795 0.296602 1.986702 0.026788 1.926932 -0.000001 75 H 2.371163 11.142747 7.902444 0.095344 1.148061 0.89952238E+01 0.92305701E+02 1.900973 1.815986 -1.470374 2.162746 0.991816 4.161047 12.506177 0.434155 1.374815 -0.685999 -0.006255 0.026344 0.019737 0.033506 -0.000740 -0.002105 -0.000270 0.000175 -0.030344 -0.010409 0.004472 0.005936 1.964907 1.552232 -0.174254 -0.137916 2.326470 0.249241 2.016018 -0.000000 76 H 1.248174 8.265933 8.523279 0.097209 1.370343 0.11374997E+02 0.12090527E+03 1.993879 1.936631 -0.985576 2.397954 0.996794 3.680574 10.426386 0.466056 1.236442 -0.721188 -0.024207 -0.015691 -0.017844 0.033920 -0.000394 0.007287 0.003341 0.011192 -0.034118 -0.014280 0.000832 0.013448 2.026193 1.988910 0.255312 0.182588 1.908143 0.347855 2.181525 -0.000001 77 H 2.227568 8.065881 9.742326 0.101313 1.143544 0.89735265E+01 0.91861381E+02 1.879928 1.799090 -1.485460 2.154872 0.991662 4.151003 12.387652 0.442346 1.352615 -0.690042 0.013028 -0.017574 0.026896 0.034669 -0.001913 0.004416 0.004007 -0.001344 0.041766 -0.010433 -0.004952 0.015385 1.940394 1.785752 -0.216996 0.038630 2.013714 -0.421097 2.021716 -0.000000 78 H 11.283888 7.532001 12.637878 0.075989 1.273094 0.91545666E+01 0.92791592E+02 1.909340 1.741083 -1.195546 2.279589 0.996969 3.831860 10.838514 0.486635 1.241745 -0.715532 -0.001954 -0.039001 0.012583 0.041027 -0.010359 -0.003416 0.006479 -0.019089 -0.017598 -0.011233 -0.007920 0.019153 1.993292 1.658963 0.284140 -0.280377 2.531065 -0.511904 1.789847 -0.000001 79 H 0.494606 7.625277 10.875915 0.138045 1.163666 0.84618360E+01 0.84299418E+02 1.813376 1.686810 -1.446669 2.190528 0.994781 3.672775 10.379380 0.487582 1.260953 -0.711098 0.007071 -0.025308 -0.010419 0.028268 0.009517 -0.010556 0.000154 -0.013483 0.005632 -0.017423 0.003973 0.013450 1.877742 1.733426 -0.356507 -0.374049 2.198050 0.264506 1.701752 -0.000001 80 H -0.002455 11.580897 10.908590 0.138698 1.031424 0.72061212E+01 0.69346249E+02 1.725048 1.597248 -1.105941 2.370851 0.996416 3.474606 9.826754 0.479414 1.327621 -0.698126 0.005197 0.029276 -0.011745 0.031969 -0.004520 -0.008596 -0.004321 -0.016251 -0.008448 -0.015154 0.004008 0.011146 1.794826 1.451034 0.201352 -0.188907 2.310878 -0.327564 1.622567 -0.000000 81 H 10.779464 11.328071 12.625311 0.083598 1.245549 0.88013992E+01 0.88660395E+02 1.919330 1.735744 -1.152364 2.319750 0.994927 3.754663 10.713741 0.473671 1.283663 -0.707043 -0.020717 0.037802 0.015248 0.045724 -0.007303 -0.009626 -0.001312 -0.022867 -0.019500 -0.018228 0.001308 0.016920 2.021951 1.870234 -0.449462 -0.418960 2.330032 0.493412 1.865588 -0.000000 82 H 0.106776 3.323555 1.319588 0.151394 0.781864 0.56319222E+01 0.50883720E+02 1.439837 1.417203 -1.148701 2.363960 0.998874 3.189697 8.699022 0.506926 1.337331 -0.697880 -0.023881 0.022892 -0.027124 0.042779 -0.002441 0.004127 -0.008422 0.010207 -0.004495 -0.011509 0.001029 0.010479 1.461606 1.461304 0.001890 -0.044273 1.475514 -0.123479 1.448001 -0.000000 83 H 7.032486 7.130671 15.850131 0.078209 1.175138 0.81972494E+01 0.81673568E+02 1.879139 1.696545 -1.263110 2.254342 0.994936 3.970392 11.520678 0.466873 1.316721 -0.697796 0.003109 -0.033608 -0.022699 0.040675 0.012622 -0.004188 0.004002 -0.022588 0.001502 -0.018743 0.001814 0.016930 1.996529 1.569708 -0.203614 -0.215095 2.304956 0.667427 2.114923 -0.000000 84 H 5.338798 6.931847 17.390907 0.144117 1.068527 0.78071881E+01 0.74860499E+02 1.628614 1.562636 -0.865664 2.483692 0.999496 3.082066 8.054629 0.544623 1.172877 -0.737311 -0.017645 -0.028540 0.000196 0.033554 0.007073 -0.008772 0.006118 -0.013235 -0.017181 -0.016844 0.003949 0.012895 1.630843 1.602576 0.287094 -0.068531 1.890861 0.062153 1.399092 -0.000001 85 H 6.193006 10.634641 18.625035 0.132444 1.067571 0.79857282E+01 0.78346995E+02 1.714047 1.643719 -1.271738 2.277475 0.996129 3.530948 9.875322 0.492069 1.268738 -0.710601 -0.003167 0.026087 0.016924 0.031257 0.002602 -0.011860 0.004609 -0.015596 -0.014106 -0.017863 0.006334 0.011528 1.731371 1.563173 0.007220 -0.212728 1.843820 0.382107 1.787120 -0.000000 86 H 7.829010 10.726689 17.018909 0.088858 1.065766 0.75685044E+01 0.73978998E+02 1.779544 1.648874 -1.020300 2.387754 0.996720 3.720312 10.720331 0.465170 1.347089 -0.693271 0.023741 0.038630 -0.005248 0.045645 0.005698 -0.008206 0.007263 -0.015224 -0.007660 -0.016120 0.003533 0.012587 1.844779 1.817218 0.569311 -0.133234 2.214400 -0.091859 1.502718 -0.000000 87 H 3.985076 10.460363 19.409247 0.097533 1.337669 0.11193178E+02 0.11824257E+03 1.943198 1.904730 -1.041758 2.372318 0.996154 3.660363 10.265674 0.477025 1.215472 -0.725822 -0.010316 0.030022 -0.016785 0.035909 -0.005942 -0.002573 -0.000627 -0.029703 0.014878 -0.018771 0.005252 0.013519 1.960613 1.986702 -0.203795 0.026788 1.968204 -0.296602 1.926932 -0.000001 88 H 5.006197 9.901937 20.469944 0.095344 1.148061 0.89952229E+01 0.92305691E+02 1.900973 1.815986 -1.470374 2.162746 0.991816 4.161047 12.506178 0.434155 1.374815 -0.685999 0.026344 0.006255 0.019737 0.033506 0.000740 -0.000270 0.002105 -0.000175 -0.030344 -0.010409 0.004472 0.005936 1.964907 2.326471 0.174254 0.249241 1.552232 0.137917 2.016018 -0.000000 89 H 2.129383 11.024926 21.090778 0.097209 1.370343 0.11375004E+02 0.12090536E+03 1.993880 1.936632 -0.985575 2.397954 0.996794 3.680574 10.426388 0.466056 1.236443 -0.721188 -0.015691 0.024207 -0.017844 0.033920 0.000394 0.003341 -0.007287 -0.011192 -0.034118 -0.014280 0.000832 0.013448 2.026194 1.908144 -0.255312 0.347856 1.988910 -0.182588 2.181527 -0.000001 90 H 1.929331 10.045532 22.309826 0.101313 1.143544 0.89735265E+01 0.91861380E+02 1.879928 1.799090 -1.485460 2.154872 0.991662 4.151003 12.387652 0.442346 1.352615 -0.690042 -0.017574 -0.013028 0.026896 0.034669 0.001913 0.004007 -0.004416 0.001344 0.041766 -0.010433 -0.004952 0.015385 1.940394 2.013715 0.216996 -0.421097 1.785751 -0.038630 2.021716 -0.000000 91 H 1.395451 0.989212 0.070378 0.075989 1.273095 0.91545726E+01 0.92791660E+02 1.909340 1.741083 -1.195547 2.279589 0.996969 3.831861 10.838514 0.486635 1.241744 -0.715532 -0.039001 0.001954 0.012583 0.041027 0.010359 0.006479 0.003416 0.019089 -0.017598 -0.011233 -0.007920 0.019153 1.993292 2.531065 -0.284140 -0.511904 1.658963 0.280377 1.789847 -0.000001 92 H 1.488727 11.778494 23.443415 0.138045 1.163666 0.84618372E+01 0.84299434E+02 1.813376 1.686810 -1.446670 2.190528 0.994781 3.672775 10.379380 0.487582 1.260953 -0.711098 -0.025308 -0.007071 -0.010419 0.028268 -0.009517 0.000154 0.010556 0.013483 0.005632 -0.017423 0.003973 0.013450 1.877743 2.198050 0.356508 0.264506 1.733426 0.374049 1.701752 -0.000001 93 H 5.444347 0.002455 23.476090 0.138698 1.031424 0.72061218E+01 0.69346254E+02 1.725047 1.597248 -1.105941 2.370852 0.996416 3.474606 9.826753 0.479414 1.327621 -0.698126 0.029276 -0.005197 -0.011745 0.031969 0.004520 -0.004321 0.008596 0.016251 -0.008448 -0.015154 0.004008 0.011146 1.794826 2.310878 -0.201352 -0.327564 1.451034 0.188907 1.622567 -0.000000 94 H 5.191521 1.493636 0.057811 0.083598 1.245549 0.88013992E+01 0.88660395E+02 1.919330 1.735744 -1.152364 2.319750 0.994927 3.754663 10.713741 0.473671 1.283663 -0.707043 0.037802 0.020716 0.015248 0.045724 0.007303 -0.001312 0.009626 0.022867 -0.019500 -0.018228 0.001308 0.016920 2.021951 2.330032 0.449461 0.493412 1.870234 0.418960 1.865588 -0.000000 95 H 9.460105 12.166324 13.887088 0.151394 0.781864 0.56319222E+01 0.50883720E+02 1.439837 1.417203 -1.148701 2.363960 0.998874 3.189697 8.699022 0.506926 1.337331 -0.697880 0.022892 0.023881 -0.027124 0.042779 0.002441 -0.008422 -0.004127 -0.010207 -0.004495 -0.011509 0.001029 0.010479 1.461606 1.475514 -0.001890 -0.123479 1.461304 0.044273 1.448001 -0.000000 96 H 11.377164 11.278979 15.850131 0.078210 1.175138 0.81972516E+01 0.81673592E+02 1.879139 1.696544 -1.263109 2.254342 0.994936 3.970392 11.520677 0.466874 1.316720 -0.697796 -0.003109 0.033608 -0.022699 0.040675 0.012622 0.004188 -0.004002 -0.022588 0.001502 -0.018743 0.001814 0.016930 1.996529 1.569708 -0.203614 0.215095 2.304956 -0.667427 2.114923 -0.000000 97 H 0.797751 11.477803 17.390907 0.144117 1.068526 0.78071866E+01 0.74860484E+02 1.628614 1.562636 -0.865664 2.483692 0.999496 3.082066 8.054630 0.544622 1.172877 -0.737311 0.017645 0.028540 0.000196 0.033554 0.007073 0.008772 -0.006118 -0.013235 -0.017181 -0.016844 0.003949 0.012895 1.630843 1.602576 0.287094 0.068531 1.890862 -0.062153 1.399092 -0.000001 98 H 12.216644 7.775009 18.625035 0.132444 1.067571 0.79857285E+01 0.78346997E+02 1.714046 1.643719 -1.271738 2.277475 0.996129 3.530948 9.875321 0.492069 1.268738 -0.710601 0.003167 -0.026087 0.016924 0.031257 0.002602 0.011860 -0.004609 -0.015596 -0.014106 -0.017863 0.006334 0.011528 1.731371 1.563173 0.007220 0.212728 1.843820 -0.382107 1.787120 -0.000000 99 H 10.580640 7.682961 17.018909 0.088858 1.065766 0.75685044E+01 0.73978998E+02 1.779544 1.648874 -1.020300 2.387754 0.996720 3.720312 10.720331 0.465170 1.347089 -0.693271 -0.023741 -0.038630 -0.005248 0.045645 0.005698 0.008206 -0.007263 -0.015224 -0.007660 -0.016120 0.003533 0.012587 1.844779 1.817218 0.569311 0.133234 2.214400 0.091859 1.502718 -0.000000 100 H 2.151474 7.949287 19.409247 0.097533 1.337669 0.11193176E+02 0.11824254E+03 1.943198 1.904730 -1.041758 2.372318 0.996154 3.660363 10.265673 0.477025 1.215471 -0.725822 0.010316 -0.030022 -0.016785 0.035909 -0.005942 0.002573 0.000627 -0.029703 0.014878 -0.018771 0.005252 0.013519 1.960612 1.986702 -0.203795 -0.026788 1.968203 0.296602 1.926932 -0.000001 101 H 1.130353 8.507713 20.469944 0.095344 1.148061 0.89952238E+01 0.92305701E+02 1.900973 1.815986 -1.470374 2.162746 0.991816 4.161047 12.506177 0.434155 1.374815 -0.685999 -0.026344 -0.006255 0.019737 0.033506 0.000740 0.000270 -0.002105 -0.000175 -0.030344 -0.010409 0.004472 0.005936 1.964907 2.326470 0.174254 -0.249241 1.552232 -0.137917 2.016018 -0.000000 102 H 4.007167 7.384724 21.090778 0.097209 1.370344 0.11375008E+02 0.12090543E+03 1.993881 1.936633 -0.985576 2.397954 0.996794 3.680574 10.426392 0.466056 1.236444 -0.721188 0.015691 -0.024207 -0.017844 0.033920 0.000394 -0.003341 0.007287 -0.011192 -0.034118 -0.014280 0.000832 0.013448 2.026195 1.908145 -0.255313 -0.347856 1.988912 0.182588 2.181529 -0.000001 103 H 4.207219 8.364118 22.309826 0.101313 1.143544 0.89735265E+01 0.91861381E+02 1.879928 1.799090 -1.485460 2.154872 0.991662 4.151003 12.387652 0.442346 1.352615 -0.690042 0.017574 0.013028 0.026896 0.034669 0.001913 -0.004007 0.004416 0.001344 0.041766 -0.010433 -0.004952 0.015385 1.940394 2.013715 0.216996 0.421097 1.785751 0.038630 2.021716 -0.000000 104 H 4.741099 5.147338 0.070378 0.075989 1.273095 0.91545727E+01 0.92791661E+02 1.909340 1.741083 -1.195547 2.279589 0.996969 3.831861 10.838514 0.486635 1.241744 -0.715532 0.039001 -0.001954 0.012583 0.041027 0.010359 -0.006479 -0.003416 0.019089 -0.017598 -0.011233 -0.007920 0.019153 1.993292 2.531065 -0.284140 0.511904 1.658963 -0.280377 1.789847 -0.000001 105 H 4.647823 6.631156 23.443415 0.138045 1.163666 0.84618360E+01 0.84299418E+02 1.813376 1.686810 -1.446669 2.190528 0.994781 3.672775 10.379380 0.487582 1.260953 -0.711098 0.025308 0.007071 -0.010419 0.028268 -0.009517 -0.000154 -0.010556 0.013483 0.005632 -0.017423 0.003973 0.013450 1.877742 2.198050 0.356508 -0.264506 1.733426 -0.374049 1.701752 -0.000001 106 H 0.692203 6.134095 23.476090 0.138698 1.031424 0.72061224E+01 0.69346264E+02 1.725048 1.597248 -1.105942 2.370851 0.996416 3.474606 9.826754 0.479414 1.327621 -0.698126 -0.029276 0.005197 -0.011745 0.031969 0.004520 0.004321 -0.008596 0.016251 -0.008448 -0.015154 0.004008 0.011146 1.794826 2.310878 -0.201352 0.327564 1.451034 -0.188907 1.622567 -0.000000 107 H 0.945029 4.642914 0.057811 0.083598 1.245548 0.88013951E+01 0.88660349E+02 1.919330 1.735744 -1.152364 2.319750 0.994927 3.754662 10.713740 0.473671 1.283663 -0.707042 -0.037802 -0.020717 0.015248 0.045724 0.007303 0.001312 -0.009626 0.022867 -0.019500 -0.018228 0.001308 0.016920 2.021952 2.330032 0.449462 -0.493412 1.870234 -0.418960 1.865588 -0.000000 108 H 8.949545 6.243326 13.887088 0.151394 0.781864 0.56319216E+01 0.50883715E+02 1.439837 1.417203 -1.148701 2.363960 0.998874 3.189697 8.699023 0.506926 1.337331 -0.697880 -0.022892 -0.023881 -0.027124 0.042779 0.002441 0.008422 0.004127 -0.010207 -0.004495 -0.011509 0.001029 0.010479 1.461606 1.475514 -0.001890 0.123479 1.461305 -0.044273 1.448001 -0.000000 109 C 10.553639 6.847162 21.302918 0.088688 27.687339 0.35270824E+03 0.79190679E+04 8.109935 6.371947 0.053456 2.017512 0.999720 26.981050 77.363684 0.631957 0.431678 -1.048102 -0.044643 0.005746 -0.013093 0.046877 0.007081 -0.001641 -0.034106 0.024481 0.020011 -0.040787 0.008084 0.032703 9.155488 9.471915 -0.816085 1.835560 8.451846 3.707123 9.542703 0.000001 110 C 10.691097 5.830950 20.366891 -0.278480 34.136395 0.45236906E+03 0.10710297E+05 9.011669 7.009068 0.241035 2.039012 0.999880 30.336494 86.696895 0.635241 0.407248 -1.073243 0.014895 0.001220 0.014384 0.020743 -0.019357 -0.009399 -0.000386 0.020642 -0.054827 -0.022257 -0.010053 0.032310 10.331672 9.414923 0.450484 2.951575 10.112484 5.082224 11.467611 0.000000 111 C 9.636838 5.570760 19.525119 0.320019 29.970055 0.31764638E+03 0.69039791E+04 8.596097 6.089002 0.113195 2.067738 0.999360 23.965607 66.234092 0.643830 0.437703 -1.051075 0.002053 -0.035862 -0.030658 0.047225 0.013469 0.002472 0.009479 -0.019862 0.046978 -0.024678 0.002182 0.022496 10.837371 8.153824 0.103162 2.184625 12.368817 7.024468 11.989473 0.000000 112 C 8.500349 6.332920 19.640489 -0.298769 34.573495 0.48867406E+03 0.11842543E+05 9.202827 7.379453 0.075802 1.982195 0.999613 31.410485 92.011117 0.604812 0.417888 -1.062092 -0.013724 0.020697 0.010889 0.027116 0.005449 0.016996 0.012028 0.018968 0.013936 -0.018775 -0.008076 0.026851 10.339241 8.839607 -2.116463 0.583785 11.474813 5.349620 10.703303 0.000000 113 C 8.456166 7.317222 20.618241 0.117688 26.238706 0.33161170E+03 0.73304066E+04 7.833739 6.187325 0.132989 2.062121 0.999593 26.051186 74.082784 0.640030 0.432920 -1.047504 0.035718 -0.015348 0.017987 0.042835 -0.001934 -0.018943 -0.025124 0.016604 -0.002420 -0.034524 0.004251 0.030273 8.781556 8.695247 -1.504903 1.235633 8.580875 3.727924 9.068547 0.000001 114 C 8.734765 4.241583 17.783767 -0.078540 28.337215 0.38887740E+03 0.89992832E+04 8.439381 6.707178 -0.510854 1.840466 0.996253 29.066659 86.244301 0.610116 0.433809 -1.040715 0.083602 -0.008024 0.034014 0.090613 0.022173 0.030457 0.031589 0.056861 0.016316 -0.049645 -0.012583 0.062228 10.401988 6.663818 0.458930 0.872527 12.780395 4.575256 11.761750 -0.000000 115 C 8.047472 2.566305 16.053222 -0.077733 27.015974 0.37842269E+03 0.87014001E+04 8.146277 6.616835 -0.490048 1.852250 0.996160 28.774132 85.215698 0.613959 0.433865 -1.040260 -0.009974 0.087118 -0.021601 0.090308 -0.021677 0.020733 -0.039523 -0.011703 -0.012045 -0.038151 -0.018561 0.056712 9.655563 9.732474 -0.581140 3.857808 8.205130 -0.774550 11.029087 -0.000000 116 C 5.346162 2.228795 12.859066 0.114259 27.567655 0.32617908E+03 0.71782068E+04 8.072091 6.109911 0.068002 2.032394 0.999694 26.175915 74.190638 0.648487 0.429185 -1.050126 0.005411 0.042878 0.004591 0.043461 0.001773 -0.044072 -0.001025 -0.007600 -0.020482 -0.047800 0.007098 0.040702 9.261499 8.675601 -0.402156 4.776639 9.813912 0.378772 9.294982 -0.000000 117 C 6.262963 2.266842 13.909709 -0.283243 36.764750 0.47293592E+03 0.11382619E+05 9.650256 7.291762 -0.006162 1.960801 0.998979 31.083362 91.129219 0.603632 0.421594 -1.058365 -0.009002 -0.023386 -0.021650 0.033116 0.000174 0.007889 -0.008878 0.000469 0.002770 -0.011775 -0.000261 0.012035 11.215351 10.764052 -0.052426 6.450645 11.243687 0.718190 11.638314 -0.000001 118 C 6.594337 3.484333 14.395317 0.315446 30.160116 0.31742503E+03 0.68878884E+04 8.571980 6.044964 0.107026 2.063248 0.999408 23.961249 65.852649 0.653858 0.431695 -1.056256 0.042311 0.008978 0.030931 0.053174 -0.005940 0.014530 -0.010634 0.032335 0.022057 -0.023535 -0.003917 0.027452 10.663513 10.609023 -0.970446 6.805747 9.944244 -0.423692 11.437271 -0.000000 119 C 5.957363 4.597503 13.884574 -0.276166 38.087408 0.47120671E+03 0.11289040E+05 9.753099 7.179433 0.132360 2.002644 0.999800 30.732786 88.821658 0.623247 0.410204 -1.069561 -0.003823 0.009163 -0.011729 0.015366 0.015359 0.002020 0.021444 -0.021356 -0.023679 -0.023794 -0.008983 0.032777 11.633897 10.817945 -1.016763 6.382523 12.263125 -0.410387 11.820621 -0.000001 120 C 5.054063 4.433044 12.856552 0.085230 27.707356 0.32916001E+03 0.72615909E+04 8.076136 6.120972 0.189397 2.067818 0.999819 26.471157 75.163055 0.650454 0.426840 -1.051378 0.003032 -0.046871 -0.000045 0.046969 -0.012213 -0.030635 -0.014657 0.005340 -0.029080 -0.041270 0.010504 0.030766 9.332095 8.519841 -0.071150 4.690221 10.089029 0.252668 9.387416 -0.000000 121 C 7.856011 11.562488 21.302918 0.088688 27.687339 0.35270826E+03 0.79190683E+04 8.109935 6.371947 0.053456 2.017512 0.999720 26.981050 77.363685 0.631957 0.431678 -1.048102 0.044643 -0.005746 -0.013093 0.046877 0.007081 0.001641 0.034106 0.024481 0.020011 -0.040787 0.008084 0.032703 9.155488 9.471915 -0.816085 -1.835560 8.451846 -3.707123 9.542703 0.000001 122 C 7.718553 0.305600 20.366891 -0.278480 34.136375 0.45236875E+03 0.10710287E+05 9.011665 7.009065 0.241036 2.039012 0.999880 30.336491 86.696881 0.635241 0.407248 -1.073243 -0.014895 -0.001220 0.014384 0.020743 -0.019357 0.009399 0.000386 0.020642 -0.054827 -0.022257 -0.010053 0.032310 10.331668 9.414921 0.450485 -2.951574 10.112477 -5.082221 11.467605 0.000000 123 C 8.772812 0.565790 19.525119 0.320019 29.970055 0.31764636E+03 0.69039787E+04 8.596097 6.089002 0.113195 2.067739 0.999360 23.965606 66.234087 0.643830 0.437703 -1.051075 -0.002053 0.035862 -0.030658 0.047225 0.013469 -0.002472 -0.009479 -0.019862 0.046978 -0.024678 0.002182 0.022496 10.837371 8.153824 0.103163 -2.184625 12.368817 -7.024468 11.989473 0.000000 124 C 9.909301 12.076730 19.640489 -0.298769 34.573495 0.48867404E+03 0.11842543E+05 9.202827 7.379453 0.075802 1.982195 0.999613 31.410484 92.011115 0.604811 0.417888 -1.062092 0.013724 -0.020697 0.010889 0.027116 0.005449 -0.016996 -0.012028 0.018968 0.013936 -0.018775 -0.008076 0.026851 10.339241 8.839607 -2.116464 -0.583784 11.474814 -5.349620 10.703304 0.000000 125 C 9.953484 11.092428 20.618241 0.117688 26.238706 0.33161170E+03 0.73304066E+04 7.833739 6.187325 0.132989 2.062121 0.999593 26.051186 74.082784 0.640030 0.432920 -1.047504 -0.035718 0.015348 0.017987 0.042835 -0.001934 0.018943 0.025124 0.016604 -0.002420 -0.034524 0.004251 0.030273 8.781556 8.695247 -1.504903 -1.235633 8.580875 -3.727924 9.068547 0.000001 126 C 9.674885 1.894967 17.783767 -0.078540 28.337216 0.38887741E+03 0.89992835E+04 8.439381 6.707179 -0.510854 1.840466 0.996253 29.066659 86.244302 0.610116 0.433809 -1.040715 -0.083602 0.008024 0.034014 0.090613 0.022173 -0.030457 -0.031589 0.056861 0.016316 -0.049645 -0.012584 0.062228 10.401989 6.663818 0.458930 -0.872527 12.780396 -4.575256 11.761751 -0.000000 127 C 10.362178 3.570245 16.053222 -0.077733 27.015974 0.37842268E+03 0.87013997E+04 8.146277 6.616835 -0.490048 1.852250 0.996160 28.774132 85.215699 0.613959 0.433865 -1.040260 0.009974 -0.087118 -0.021601 0.090308 -0.021677 -0.020733 0.039523 -0.011703 -0.012045 -0.038151 -0.018561 0.056712 9.655563 9.732473 -0.581140 -3.857808 8.205130 0.774551 11.029087 -0.000000 128 C 0.790388 3.907755 12.859066 0.114260 27.567653 0.32617907E+03 0.71782065E+04 8.072090 6.109910 0.068003 2.032394 0.999694 26.175914 74.190632 0.648487 0.429185 -1.050126 -0.005411 -0.042878 0.004591 0.043461 0.001773 0.044072 0.001025 -0.007600 -0.020482 -0.047800 0.007098 0.040702 9.261498 8.675600 -0.402156 -4.776638 9.813912 -0.378772 9.294981 -0.000000 129 C 12.146687 3.869708 13.909709 -0.283243 36.764747 0.47293588E+03 0.11382618E+05 9.650255 7.291762 -0.006161 1.960801 0.998979 31.083360 91.129209 0.603632 0.421594 -1.058365 0.009002 0.023386 -0.021650 0.033116 0.000174 -0.007889 0.008878 0.000469 0.002770 -0.011775 -0.000261 0.012035 11.215350 10.764051 -0.052426 -6.450644 11.243686 -0.718190 11.638313 -0.000001 130 C 11.815313 2.652217 14.395317 0.315446 30.160116 0.31742503E+03 0.68878884E+04 8.571980 6.044964 0.107026 2.063248 0.999408 23.961249 65.852650 0.653858 0.431696 -1.056256 -0.042311 -0.008978 0.030931 0.053174 -0.005940 -0.014530 0.010634 0.032335 0.022057 -0.023535 -0.003917 0.027452 10.663513 10.609023 -0.970446 -6.805748 9.944245 0.423692 11.437272 -0.000000 131 C 0.179187 1.539047 13.884574 -0.276166 38.087408 0.47120671E+03 0.11289040E+05 9.753100 7.179433 0.132359 2.002644 0.999800 30.732786 88.821659 0.623247 0.410204 -1.069561 0.003823 -0.009163 -0.011729 0.015366 0.015359 -0.002020 -0.021444 -0.021356 -0.023679 -0.023794 -0.008983 0.032777 11.633897 10.817946 -1.016763 -6.382524 12.263125 0.410388 11.820621 -0.000001 132 C 1.082487 1.703506 12.856552 0.085230 27.707356 0.32916001E+03 0.72615908E+04 8.076136 6.120972 0.189397 2.067818 0.999819 26.471157 75.163055 0.650454 0.426840 -1.051378 -0.003032 0.046871 -0.000045 0.046969 -0.012213 0.030634 0.014657 0.005340 -0.029080 -0.041270 0.010504 0.030766 9.332095 8.519841 -0.071150 -4.690221 10.089029 -0.252668 9.387416 -0.000000 133 C 5.425938 4.417089 8.735418 0.088689 27.687336 0.35270820E+03 0.79190668E+04 8.109934 6.371947 0.053456 2.017512 0.999720 26.981048 77.363677 0.631957 0.431678 -1.048102 -0.005746 -0.044643 -0.013093 0.046877 -0.007081 0.034106 -0.001641 -0.024481 0.020011 -0.040787 0.008084 0.032703 9.155487 8.451845 0.816085 -3.707123 9.471914 1.835560 9.542702 0.000001 134 C 6.442150 4.554547 7.799391 -0.278480 34.136397 0.45236909E+03 0.10710297E+05 9.011670 7.009069 0.241035 2.039012 0.999880 30.336495 86.696902 0.635241 0.407248 -1.073243 -0.001220 0.014895 0.014384 0.020743 0.019357 0.000386 -0.009399 -0.020642 -0.054827 -0.022257 -0.010053 0.032310 10.331673 10.112484 -0.450484 -5.082224 9.414923 2.951575 11.467611 0.000000 135 C 6.702340 3.500288 6.957619 0.320019 29.970053 0.31764637E+03 0.69039790E+04 8.596096 6.089002 0.113195 2.067739 0.999360 23.965607 66.234092 0.643830 0.437703 -1.051075 0.035862 0.002053 -0.030658 0.047225 -0.013469 -0.009479 0.002472 0.019862 0.046978 -0.024678 0.002182 0.022496 10.837370 12.368815 -0.103162 -7.024467 8.153823 2.184625 11.989472 0.000000 136 C 5.940180 2.363799 7.072989 -0.298769 34.573495 0.48867406E+03 0.11842543E+05 9.202827 7.379453 0.075802 1.982195 0.999613 31.410485 92.011117 0.604812 0.417888 -1.062092 -0.020697 -0.013724 0.010889 0.027116 -0.005449 -0.012028 0.016996 -0.018968 0.013936 -0.018775 -0.008076 0.026851 10.339241 11.474813 2.116463 -5.349619 8.839607 0.583785 10.703303 0.000000 137 C 4.955878 2.319616 8.050741 0.117688 26.238706 0.33161170E+03 0.73304067E+04 7.833740 6.187325 0.132989 2.062121 0.999593 26.051186 74.082786 0.640030 0.432920 -1.047504 0.015348 0.035718 0.017987 0.042835 0.001934 0.025124 -0.018943 -0.016604 -0.002420 -0.034524 0.004251 0.030273 8.781556 8.580875 1.504903 -3.727924 8.695247 1.235633 9.068548 0.000001 138 C 8.031517 2.598215 5.216267 -0.078540 28.337217 0.38887748E+03 0.89992855E+04 8.439381 6.707179 -0.510854 1.840466 0.996253 29.066658 86.244296 0.610116 0.433809 -1.040715 0.008024 0.083602 0.034014 0.090613 -0.022173 -0.031589 0.030457 -0.056861 0.016316 -0.049645 -0.012583 0.062228 10.401988 12.780392 -0.458931 -4.575256 6.663818 0.872528 11.761755 -0.000000 139 C 9.706795 1.910922 3.485722 -0.077733 27.015958 0.37842237E+03 0.87013912E+04 8.146274 6.616832 -0.490048 1.852250 0.996160 28.774131 85.215695 0.613959 0.433865 -1.040260 -0.087118 -0.009974 -0.021601 0.090308 0.021677 0.039523 0.020733 0.011703 -0.012045 -0.038151 -0.018561 0.056712 9.655559 8.205128 0.581137 0.774549 9.732474 3.857807 11.029076 -0.000000 140 C 10.044305 11.482712 0.291566 0.114260 27.567648 0.32617904E+03 0.71782057E+04 8.072089 6.109910 0.068002 2.032394 0.999694 26.175913 74.190631 0.648487 0.429185 -1.050126 -0.042878 0.005411 0.004591 0.043461 -0.001773 0.001025 -0.044072 0.007600 -0.020482 -0.047800 0.007098 0.040702 9.261497 9.813910 0.402155 -0.378773 8.675599 4.776638 9.294980 -0.000000 141 C 10.006258 0.126413 1.342209 -0.283243 36.764753 0.47293599E+03 0.11382622E+05 9.650256 7.291762 -0.006162 1.960801 0.998979 31.083364 91.129226 0.603632 0.421594 -1.058365 0.023386 -0.009002 -0.021650 0.033116 -0.000174 0.008878 0.007889 -0.000469 0.002770 -0.011775 -0.000261 0.012035 11.215351 11.243688 0.052426 -0.718190 10.764052 6.450645 11.638314 -0.000001 142 C 8.788767 0.457787 1.827817 0.315446 30.160122 0.31742508E+03 0.68878897E+04 8.571981 6.044964 0.107026 2.063248 0.999408 23.961251 65.852655 0.653858 0.431695 -1.056256 -0.008978 0.042311 0.030931 0.053174 0.005940 0.010634 0.014530 -0.032335 0.022057 -0.023535 -0.003917 0.027452 10.663515 9.944245 0.970447 0.423693 10.609026 6.805750 11.437274 -0.000000 143 C 7.675597 12.093913 1.317074 -0.276166 38.087409 0.47120652E+03 0.11289034E+05 9.753100 7.179431 0.132359 2.002644 0.999800 30.732788 88.821667 0.623247 0.410204 -1.069561 -0.009163 -0.003823 -0.011729 0.015366 -0.015359 -0.021444 0.002021 0.021356 -0.023679 -0.023794 -0.008983 0.032777 11.633898 12.263124 1.016762 0.410387 10.817949 6.382526 11.820621 -0.000001 144 C 7.840056 11.190613 0.289053 0.085230 27.707368 0.32916008E+03 0.72615929E+04 8.076138 6.120973 0.189397 2.067818 0.999819 26.471158 75.163060 0.650454 0.426840 -1.051378 0.046871 0.003032 -0.000045 0.046969 0.012213 0.014657 -0.030634 -0.005340 -0.029080 -0.041270 0.010504 0.030766 9.332100 10.089026 0.071150 -0.252669 8.519849 4.690228 9.387424 -0.000000 145 C 0.710612 1.719461 8.735418 0.088689 27.687337 0.35270824E+03 0.79190677E+04 8.109934 6.371947 0.053456 2.017512 0.999720 26.981049 77.363681 0.631957 0.431678 -1.048102 0.005746 0.044643 -0.013093 0.046877 -0.007081 -0.034106 0.001641 -0.024481 0.020011 -0.040787 0.008084 0.032703 9.155487 8.451845 0.816085 3.707123 9.471914 -1.835560 9.542702 0.000001 146 C 11.967500 1.582003 7.799391 -0.278480 34.136377 0.45236879E+03 0.10710289E+05 9.011666 7.009066 0.241035 2.039012 0.999880 30.336492 86.696886 0.635241 0.407248 -1.073243 0.001220 -0.014895 0.014384 0.020743 0.019357 -0.000386 0.009399 -0.020642 -0.054827 -0.022257 -0.010053 0.032310 10.331668 10.112477 -0.450485 5.082221 9.414922 -2.951574 11.467606 0.000000 147 C 11.707310 2.636262 6.957619 0.320019 29.970056 0.31764638E+03 0.69039793E+04 8.596097 6.089002 0.113195 2.067738 0.999360 23.965607 66.234091 0.643830 0.437703 -1.051075 -0.035862 -0.002053 -0.030658 0.047225 -0.013469 0.009479 -0.002472 0.019862 0.046978 -0.024678 0.002182 0.022496 10.837371 12.368816 -0.103163 7.024467 8.153824 -2.184626 11.989473 0.000000 148 C 0.196370 3.772751 7.072989 -0.298769 34.573496 0.48867408E+03 0.11842544E+05 9.202827 7.379453 0.075802 1.982195 0.999613 31.410486 92.011121 0.604812 0.417888 -1.062092 0.020697 0.013724 0.010889 0.027116 -0.005449 0.012028 -0.016996 -0.018968 0.013936 -0.018775 -0.008076 0.026851 10.339241 11.474813 2.116463 5.349620 8.839607 -0.583785 10.703304 0.000000 149 C 1.180672 3.816934 8.050741 0.117688 26.238706 0.33161170E+03 0.73304067E+04 7.833740 6.187325 0.132989 2.062121 0.999593 26.051186 74.082788 0.640030 0.432920 -1.047504 -0.015348 -0.035718 0.017987 0.042835 0.001934 -0.025124 0.018943 -0.016604 -0.002420 -0.034524 0.004251 0.030273 8.781557 8.580876 1.504903 3.727924 8.695247 -1.235633 9.068548 0.000001 150 C 10.378133 3.538335 5.216267 -0.078540 28.337218 0.38887750E+03 0.89992860E+04 8.439381 6.707180 -0.510854 1.840466 0.996253 29.066659 86.244300 0.610116 0.433809 -1.040715 -0.008024 -0.083602 0.034014 0.090613 -0.022173 0.031589 -0.030457 -0.056861 0.016316 -0.049645 -0.012583 0.062228 10.401989 12.780392 -0.458931 4.575256 6.663818 -0.872528 11.761755 -0.000000 151 C 8.702855 4.225628 3.485722 -0.077733 27.015958 0.37842237E+03 0.87013911E+04 8.146274 6.616832 -0.490048 1.852250 0.996160 28.774131 85.215694 0.613959 0.433865 -1.040260 0.087118 0.009974 -0.021601 0.090308 0.021677 -0.039523 -0.020733 0.011703 -0.012045 -0.038151 -0.018561 0.056712 9.655559 8.205128 0.581137 -0.774549 9.732474 -3.857806 11.029076 -0.000000 152 C 8.365345 6.926938 0.291566 0.114260 27.567647 0.32617902E+03 0.71782051E+04 8.072088 6.109910 0.068003 2.032394 0.999694 26.175913 74.190625 0.648487 0.429185 -1.050126 0.042878 -0.005411 0.004591 0.043461 -0.001773 -0.001025 0.044072 0.007600 -0.020482 -0.047800 0.007098 0.040702 9.261495 9.813909 0.402155 0.378773 8.675598 -4.776637 9.294979 -0.000000 153 C 8.403392 6.010137 1.342209 -0.283243 36.764743 0.47293583E+03 0.11382617E+05 9.650254 7.291761 -0.006161 1.960801 0.998979 31.083358 91.129201 0.603632 0.421594 -1.058365 -0.023386 0.009002 -0.021650 0.033116 -0.000174 -0.008878 -0.007889 -0.000469 0.002770 -0.011774 -0.000261 0.012035 11.215349 11.243685 0.052426 0.718190 10.764050 -6.450643 11.638311 -0.000001 154 C 9.620883 5.678763 1.827817 0.315446 30.160115 0.31742500E+03 0.68878875E+04 8.571980 6.044964 0.107027 2.063248 0.999408 23.961247 65.852642 0.653858 0.431696 -1.056256 0.008978 -0.042311 0.030931 0.053174 0.005940 -0.010634 -0.014530 -0.032335 0.022057 -0.023535 -0.003917 0.027452 10.663514 9.944244 0.970447 -0.423693 10.609025 -6.805748 11.437272 -0.000000 155 C 10.734053 6.315737 1.317074 -0.276166 38.087404 0.47120645E+03 0.11289032E+05 9.753098 7.179430 0.132360 2.002644 0.999800 30.732786 88.821654 0.623248 0.410204 -1.069561 0.009163 0.003823 -0.011729 0.015366 -0.015359 0.021444 -0.002020 0.021356 -0.023679 -0.023794 -0.008983 0.032777 11.633896 12.263122 1.016762 -0.410387 10.817947 -6.382525 11.820619 -0.000001 156 C 10.569594 7.219037 0.289053 0.085230 27.707366 0.32916006E+03 0.72615920E+04 8.076137 6.120972 0.189397 2.067818 0.999819 26.471157 75.163052 0.650454 0.426840 -1.051379 -0.046871 -0.003032 -0.000045 0.046969 0.012213 -0.014657 0.030634 -0.005340 -0.029080 -0.041270 0.010504 0.030766 9.332098 10.089025 0.071150 0.252669 8.519848 -4.690227 9.387423 -0.000000 157 C 9.204825 3.068275 16.903288 0.088061 32.154192 0.39608558E+03 0.91666184E+04 9.805095 7.355482 -0.729962 1.806245 0.996079 26.773042 78.273225 0.516680 0.512229 -1.002904 0.000000 -0.000000 -0.008585 0.008585 -0.005120 -0.000000 0.000000 -0.014862 -0.025103 -0.008368 -0.004840 0.013208 12.605172 10.199193 0.320672 -0.000000 13.293938 0.000000 14.322384 -0.000000 158 C 9.204825 3.068275 4.335787 0.088061 32.154192 0.39608561E+03 0.91666194E+04 9.805094 7.355482 -0.729962 1.806245 0.996079 26.773042 78.273223 0.516680 0.512229 -1.002904 0.000000 -0.000000 -0.008585 0.008585 0.005120 0.000000 -0.000000 0.014862 -0.025103 -0.008368 -0.004840 0.013208 12.605170 13.293925 -0.320677 -0.000000 10.199202 0.000000 14.322384 -0.000000 159 C 1.719461 5.425938 3.832082 0.088688 27.687344 0.35270844E+03 0.79190732E+04 8.109936 6.371949 0.053456 2.017512 0.999720 26.981051 77.363688 0.631957 0.431678 -1.048102 0.044643 -0.005746 0.013093 0.046877 0.007081 -0.001641 -0.034106 0.024481 0.020011 -0.040787 0.008084 0.032703 9.155489 9.471915 -0.816083 1.835562 8.451845 3.707123 9.542707 0.000001 160 C 1.582003 6.442150 4.768110 -0.278480 34.136395 0.45236907E+03 0.10710297E+05 9.011669 7.009068 0.241035 2.039012 0.999880 30.336494 86.696898 0.635241 0.407248 -1.073243 -0.014895 -0.001220 -0.014384 0.020743 -0.019357 -0.009399 -0.000386 0.020642 -0.054827 -0.022257 -0.010053 0.032310 10.331673 9.414927 0.450486 2.951577 10.112481 5.082223 11.467610 0.000000 161 C 2.636262 6.702340 5.609881 0.320019 29.970048 0.31764625E+03 0.69039759E+04 8.596095 6.089001 0.113195 2.067739 0.999360 23.965607 66.234091 0.643830 0.437703 -1.051075 -0.002053 0.035862 0.030658 0.047225 0.013469 0.002472 0.009479 -0.019862 0.046978 -0.024678 0.002182 0.022496 10.837368 8.153826 0.103161 2.184625 12.368813 7.024464 11.989467 0.000000 162 C 3.772751 5.940180 5.494511 -0.298769 34.573489 0.48867375E+03 0.11842534E+05 9.202826 7.379451 0.075802 1.982195 0.999613 31.410483 92.011111 0.604812 0.417888 -1.062092 0.013724 -0.020697 -0.010889 0.027116 0.005449 0.016996 0.012028 0.018968 0.013936 -0.018775 -0.008076 0.026851 10.339240 8.839607 -2.116465 0.583784 11.474815 5.349620 10.703300 0.000000 163 C 3.816934 4.955878 4.516760 0.117688 26.238709 0.33161171E+03 0.73304069E+04 7.833740 6.187325 0.132989 2.062121 0.999593 26.051186 74.082785 0.640030 0.432920 -1.047504 -0.035718 0.015348 -0.017987 0.042835 -0.001934 -0.018943 -0.025124 0.016604 -0.002420 -0.034524 0.004251 0.030273 8.781557 8.695243 -1.504903 1.235632 8.580880 3.727926 9.068549 0.000001 164 C 3.538335 8.031517 7.351233 -0.078540 28.337218 0.38887749E+03 0.89992858E+04 8.439382 6.707180 -0.510854 1.840466 0.996253 29.066658 86.244298 0.610116 0.433809 -1.040715 -0.083602 0.008024 -0.034014 0.090613 0.022173 0.030457 0.031589 0.056861 0.016316 -0.049645 -0.012584 0.062228 10.401989 6.663818 0.458932 0.872528 12.780393 4.575256 11.761755 -0.000000 165 C 4.225628 9.706795 9.081778 -0.077733 27.015964 0.37842245E+03 0.87013932E+04 8.146275 6.616833 -0.490048 1.852250 0.996160 28.774130 85.215692 0.613959 0.433865 -1.040260 0.009974 -0.087118 0.021601 0.090308 -0.021677 0.020733 -0.039523 -0.011703 -0.012045 -0.038151 -0.018561 0.056712 9.655561 9.732476 -0.581137 3.857809 8.205127 -0.774549 11.029082 -0.000000 166 C 6.926938 10.044305 12.275934 0.114259 27.567655 0.32617910E+03 0.71782073E+04 8.072091 6.109911 0.068002 2.032394 0.999694 26.175915 74.190638 0.648487 0.429185 -1.050126 -0.005411 -0.042878 -0.004591 0.043461 0.001773 -0.044072 -0.001025 -0.007600 -0.020482 -0.047800 0.007098 0.040702 9.261499 8.675602 -0.402156 4.776639 9.813912 0.378771 9.294982 -0.000000 167 C 6.010137 10.006258 11.225291 -0.283243 36.764740 0.47293574E+03 0.11382614E+05 9.650254 7.291761 -0.006161 1.960801 0.998979 31.083361 91.129216 0.603632 0.421594 -1.058365 0.009002 0.023386 0.021650 0.033116 0.000174 0.007889 -0.008878 0.000469 0.002770 -0.011775 -0.000261 0.012035 11.215349 10.764050 -0.052424 6.450643 11.243688 0.718193 11.638310 -0.000001 168 C 5.678763 8.788767 10.739683 0.315446 30.160112 0.31742487E+03 0.68878841E+04 8.571979 6.044962 0.107026 2.063248 0.999408 23.961248 65.852646 0.653858 0.431695 -1.056256 -0.042311 -0.008978 -0.030931 0.053174 -0.005940 0.014530 -0.010634 0.032335 0.022057 -0.023535 -0.003917 0.027452 10.663513 10.609025 -0.970445 6.805748 9.944242 -0.423691 11.437270 -0.000000 169 C 6.315737 7.675597 11.250426 -0.276166 38.087413 0.47120672E+03 0.11289040E+05 9.753100 7.179433 0.132360 2.002644 0.999800 30.732786 88.821658 0.623247 0.410204 -1.069561 0.003823 -0.009163 0.011729 0.015366 0.015359 0.002020 0.021444 -0.021356 -0.023679 -0.023794 -0.008983 0.032777 11.633899 10.817948 -1.016764 6.382525 12.263125 -0.410388 11.820623 -0.000001 170 C 7.219037 7.840056 12.278448 0.085230 27.707367 0.32916013E+03 0.72615940E+04 8.076138 6.120973 0.189397 2.067818 0.999819 26.471157 75.163057 0.650454 0.426840 -1.051378 -0.003032 0.046871 0.000045 0.046969 -0.012213 -0.030635 -0.014657 0.005340 -0.029080 -0.041270 0.010504 0.030766 9.332099 8.519845 -0.071150 4.690224 10.089030 0.252666 9.387422 -0.000000 171 C 4.417089 0.710612 3.832082 0.088688 27.687345 0.35270847E+03 0.79190742E+04 8.109936 6.371949 0.053456 2.017512 0.999720 26.981052 77.363692 0.631957 0.431678 -1.048102 -0.044643 0.005746 0.013093 0.046877 0.007081 0.001641 0.034106 0.024481 0.020011 -0.040787 0.008084 0.032703 9.155489 9.471916 -0.816084 -1.835561 8.451845 -3.707123 9.542707 0.000001 172 C 4.554547 11.967500 4.768110 -0.278480 34.136378 0.45236880E+03 0.10710289E+05 9.011666 7.009066 0.241035 2.039012 0.999880 30.336492 86.696888 0.635241 0.407248 -1.073243 0.014895 0.001220 -0.014384 0.020743 -0.019357 0.009399 0.000386 0.020642 -0.054827 -0.022257 -0.010053 0.032310 10.331669 9.414926 0.450487 -2.951577 10.112474 -5.082220 11.467606 0.000000 173 C 3.500288 11.707310 5.609881 0.320019 29.970050 0.31764627E+03 0.69039761E+04 8.596095 6.089001 0.113195 2.067739 0.999360 23.965607 66.234090 0.643830 0.437703 -1.051075 0.002053 -0.035862 0.030658 0.047225 0.013469 -0.002472 -0.009479 -0.019862 0.046978 -0.024678 0.002182 0.022496 10.837369 8.153826 0.103162 -2.184625 12.368813 -7.024464 11.989467 0.000000 174 C 2.363799 0.196370 5.494511 -0.298769 34.573491 0.48867377E+03 0.11842535E+05 9.202826 7.379451 0.075802 1.982195 0.999613 31.410484 92.011114 0.604812 0.417888 -1.062092 -0.013724 0.020697 -0.010889 0.027116 0.005449 -0.016996 -0.012028 0.018968 0.013936 -0.018775 -0.008076 0.026851 10.339241 8.839607 -2.116464 -0.583784 11.474815 -5.349620 10.703300 0.000000 175 C 2.319616 1.180672 4.516760 0.117688 26.238710 0.33161173E+03 0.73304076E+04 7.833740 6.187325 0.132989 2.062121 0.999593 26.051187 74.082789 0.640030 0.432920 -1.047504 0.035718 -0.015348 -0.017987 0.042835 -0.001934 0.018943 0.025124 0.016604 -0.002420 -0.034524 0.004251 0.030273 8.781558 8.695243 -1.504903 -1.235633 8.580880 -3.727927 9.068550 0.000001 176 C 2.598215 10.378133 7.351233 -0.078540 28.337219 0.38887751E+03 0.89992863E+04 8.439381 6.707179 -0.510854 1.840466 0.996253 29.066659 86.244300 0.610116 0.433809 -1.040715 0.083602 -0.008024 -0.034014 0.090613 0.022173 -0.030457 -0.031589 0.056861 0.016316 -0.049645 -0.012584 0.062228 10.401989 6.663818 0.458932 -0.872528 12.780393 -4.575256 11.761755 -0.000000 177 C 1.910922 8.702855 9.081778 -0.077733 27.015965 0.37842245E+03 0.87013935E+04 8.146275 6.616834 -0.490048 1.852250 0.996160 28.774130 85.215692 0.613959 0.433865 -1.040260 -0.009974 0.087118 0.021601 0.090308 -0.021677 -0.020733 0.039523 -0.011703 -0.012045 -0.038151 -0.018561 0.056712 9.655562 9.732476 -0.581137 -3.857809 8.205128 0.774549 11.029082 -0.000000 178 C 11.482712 8.365345 12.275934 0.114259 27.567655 0.32617910E+03 0.71782073E+04 8.072091 6.109911 0.068002 2.032394 0.999694 26.175915 74.190638 0.648487 0.429185 -1.050126 0.005411 0.042878 -0.004591 0.043461 0.001773 0.044072 0.001025 -0.007600 -0.020482 -0.047800 0.007098 0.040702 9.261499 8.675602 -0.402156 -4.776639 9.813912 -0.378771 9.294982 -0.000000 179 C 0.126413 8.403392 11.225291 -0.283243 36.764740 0.47293576E+03 0.11382615E+05 9.650254 7.291761 -0.006161 1.960801 0.998979 31.083361 91.129214 0.603632 0.421594 -1.058365 -0.009002 -0.023386 0.021650 0.033116 0.000174 -0.007889 0.008878 0.000469 0.002770 -0.011775 -0.000261 0.012035 11.215349 10.764050 -0.052424 -6.450642 11.243688 -0.718193 11.638309 -0.000000 180 C 0.457787 9.620883 10.739683 0.315446 30.160112 0.31742487E+03 0.68878841E+04 8.571980 6.044962 0.107026 2.063248 0.999408 23.961248 65.852647 0.653858 0.431696 -1.056256 0.042311 0.008978 -0.030931 0.053174 -0.005940 -0.014530 0.010634 0.032335 0.022057 -0.023535 -0.003917 0.027452 10.663513 10.609025 -0.970445 -6.805749 9.944243 0.423691 11.437271 -0.000000 181 C 12.093913 10.734053 11.250426 -0.276166 38.087416 0.47120677E+03 0.11289041E+05 9.753101 7.179433 0.132359 2.002644 0.999800 30.732788 88.821665 0.623247 0.410204 -1.069561 -0.003823 0.009163 0.011729 0.015366 0.015359 -0.002020 -0.021444 -0.021356 -0.023679 -0.023794 -0.008983 0.032777 11.633899 10.817949 -1.016764 -6.382526 12.263126 0.410388 11.820624 -0.000001 182 C 11.190613 10.569594 12.278448 0.085230 27.707368 0.32916015E+03 0.72615945E+04 8.076138 6.120973 0.189397 2.067818 0.999819 26.471158 75.163059 0.650454 0.426840 -1.051378 0.003032 -0.046871 0.000045 0.046969 -0.012213 0.030635 0.014657 0.005340 -0.029080 -0.041270 0.010504 0.030766 9.332099 8.519845 -0.071150 -4.690224 10.089030 -0.252666 9.387422 -0.000000 183 C 6.847162 7.856011 16.399582 0.088689 27.687342 0.35270842E+03 0.79190728E+04 8.109936 6.371949 0.053456 2.017512 0.999720 26.981050 77.363684 0.631957 0.431678 -1.048102 0.005746 0.044643 0.013093 0.046877 -0.007081 0.034106 -0.001641 -0.024481 0.020011 -0.040787 0.008084 0.032703 9.155488 8.451844 0.816083 -3.707123 9.471915 1.835562 9.542706 0.000001 184 C 5.830950 7.718553 17.335610 -0.278480 34.136395 0.45236907E+03 0.10710297E+05 9.011670 7.009068 0.241035 2.039012 0.999880 30.336494 86.696898 0.635241 0.407248 -1.073243 0.001220 -0.014895 -0.014384 0.020743 0.019357 0.000386 -0.009399 -0.020642 -0.054827 -0.022257 -0.010053 0.032310 10.331673 10.112481 -0.450487 -5.082223 9.414927 2.951577 11.467611 0.000000 185 C 5.570760 8.772812 18.177381 0.320019 29.970048 0.31764626E+03 0.69039759E+04 8.596095 6.089001 0.113195 2.067739 0.999360 23.965607 66.234092 0.643830 0.437703 -1.051075 -0.035862 -0.002053 0.030658 0.047225 -0.013469 -0.009479 0.002472 0.019862 0.046978 -0.024678 0.002182 0.022496 10.837369 12.368814 -0.103161 -7.024464 8.153826 2.184625 11.989467 0.000000 186 C 6.332920 9.909301 18.062011 -0.298769 34.573490 0.48867375E+03 0.11842534E+05 9.202826 7.379451 0.075802 1.982195 0.999613 31.410483 92.011111 0.604812 0.417888 -1.062092 0.020697 0.013724 -0.010889 0.027116 -0.005449 -0.012028 0.016996 -0.018968 0.013936 -0.018775 -0.008076 0.026851 10.339241 11.474815 2.116465 -5.349620 8.839607 0.583783 10.703300 0.000000 187 C 7.317222 9.953484 17.084260 0.117688 26.238709 0.33161171E+03 0.73304069E+04 7.833740 6.187325 0.132989 2.062121 0.999593 26.051186 74.082784 0.640030 0.432920 -1.047504 -0.015348 -0.035718 -0.017987 0.042835 0.001934 0.025124 -0.018943 -0.016604 -0.002420 -0.034524 0.004251 0.030273 8.781557 8.580880 1.504903 -3.727926 8.695243 1.235632 9.068549 0.000001 188 C 4.241583 9.674885 19.918733 -0.078540 28.337217 0.38887748E+03 0.89992855E+04 8.439381 6.707179 -0.510854 1.840466 0.996253 29.066658 86.244299 0.610116 0.433809 -1.040715 -0.008024 -0.083602 -0.034014 0.090613 -0.022173 -0.031589 0.030457 -0.056861 0.016316 -0.049645 -0.012584 0.062228 10.401988 12.780393 -0.458932 -4.575256 6.663818 0.872528 11.761754 -0.000000 189 C 2.566305 10.362178 21.649278 -0.077733 27.015969 0.37842256E+03 0.87013965E+04 8.146276 6.616834 -0.490048 1.852250 0.996160 28.774131 85.215694 0.613959 0.433865 -1.040260 0.087118 0.009974 0.021601 0.090308 0.021677 0.039523 0.020733 0.011703 -0.012045 -0.038151 -0.018561 0.056712 9.655562 8.205129 0.581139 0.774550 9.732474 3.857807 11.029082 -0.000000 190 C 2.228795 0.790388 24.843434 0.114260 27.567650 0.32617903E+03 0.71782054E+04 8.072089 6.109910 0.068003 2.032394 0.999694 26.175913 74.190626 0.648487 0.429185 -1.050126 0.042878 -0.005411 -0.004591 0.043461 -0.001773 0.001025 -0.044072 0.007600 -0.020482 -0.047800 0.007098 0.040702 9.261496 9.813911 0.402157 -0.378771 8.675599 4.776638 9.294979 -0.000000 191 C 2.266842 12.146687 23.792791 -0.283243 36.764736 0.47293572E+03 0.11382614E+05 9.650253 7.291761 -0.006161 1.960801 0.998979 31.083360 91.129211 0.603632 0.421594 -1.058365 -0.023386 0.009002 0.021650 0.033116 -0.000174 0.008878 0.007889 -0.000469 0.002770 -0.011775 -0.000261 0.012035 11.215348 11.243687 0.052425 -0.718192 10.764048 6.450641 11.638308 -0.000001 192 C 3.484333 11.815313 23.307183 0.315446 30.160118 0.31742504E+03 0.68878885E+04 8.571981 6.044964 0.107026 2.063248 0.999408 23.961249 65.852648 0.653858 0.431695 -1.056256 0.008978 -0.042311 -0.030931 0.053174 0.005940 0.010634 0.014530 -0.032335 0.022057 -0.023535 -0.003917 0.027452 10.663514 9.944245 0.970446 0.423691 10.609024 6.805748 11.437273 -0.000000 193 C 4.597503 0.179187 23.817926 -0.276166 38.087413 0.47120676E+03 0.11289041E+05 9.753100 7.179433 0.132359 2.002644 0.999800 30.732788 88.821664 0.623247 0.410204 -1.069561 0.009163 0.003823 0.011729 0.015366 -0.015359 -0.021444 0.002020 0.021356 -0.023679 -0.023794 -0.008983 0.032777 11.633898 12.263125 1.016763 0.410387 10.817946 6.382524 11.820623 -0.000001 194 C 4.433044 1.082487 24.845948 0.085230 27.707367 0.32916015E+03 0.72615945E+04 8.076138 6.120974 0.189397 2.067818 0.999819 26.471158 75.163060 0.650454 0.426840 -1.051378 -0.046871 -0.003032 0.000045 0.046969 0.012213 0.014657 -0.030634 -0.005340 -0.029080 -0.041270 0.010504 0.030766 9.332099 10.089030 0.071150 -0.252666 8.519844 4.690224 9.387422 -0.000000 195 C 11.562488 10.553639 16.399582 0.088689 27.687342 0.35270843E+03 0.79190729E+04 8.109936 6.371949 0.053456 2.017512 0.999720 26.981050 77.363683 0.631957 0.431678 -1.048102 -0.005746 -0.044643 0.013093 0.046877 -0.007081 -0.034106 0.001641 -0.024481 0.020011 -0.040787 0.008084 0.032703 9.155488 8.451844 0.816084 3.707123 9.471915 -1.835561 9.542706 0.000001 196 C 0.305600 10.691097 17.335610 -0.278480 34.136376 0.45236876E+03 0.10710288E+05 9.011666 7.009066 0.241036 2.039012 0.999880 30.336491 86.696885 0.635241 0.407248 -1.073243 -0.001220 0.014895 -0.014384 0.020743 0.019357 -0.000386 0.009399 -0.020642 -0.054827 -0.022257 -0.010053 0.032310 10.331669 10.112474 -0.450487 5.082220 9.414926 -2.951576 11.467606 0.000000 197 C 0.565790 9.636838 18.177381 0.320019 29.970050 0.31764627E+03 0.69039761E+04 8.596095 6.089001 0.113195 2.067739 0.999360 23.965607 66.234089 0.643830 0.437703 -1.051075 0.035862 0.002053 0.030658 0.047225 -0.013469 0.009479 -0.002472 0.019862 0.046978 -0.024678 0.002182 0.022496 10.837369 12.368814 -0.103162 7.024464 8.153826 -2.184625 11.989467 0.000000 198 C 12.076730 8.500349 18.062011 -0.298769 34.573491 0.48867377E+03 0.11842535E+05 9.202826 7.379451 0.075802 1.982195 0.999613 31.410484 92.011112 0.604812 0.417888 -1.062092 -0.020697 -0.013724 -0.010889 0.027116 -0.005449 0.012028 -0.016996 -0.018968 0.013936 -0.018775 -0.008076 0.026851 10.339241 11.474815 2.116465 5.349620 8.839607 -0.583783 10.703300 0.000000 199 C 11.092428 8.456166 17.084260 0.117688 26.238709 0.33161171E+03 0.73304070E+04 7.833740 6.187325 0.132989 2.062121 0.999593 26.051186 74.082787 0.640030 0.432920 -1.047504 0.015348 0.035718 -0.017987 0.042835 0.001934 -0.025124 0.018943 -0.016604 -0.002420 -0.034524 0.004251 0.030273 8.781558 8.580881 1.504903 3.727927 8.695243 -1.235632 9.068550 0.000001 200 C 1.894967 8.734765 19.918733 -0.078540 28.337217 0.38887748E+03 0.89992856E+04 8.439382 6.707180 -0.510854 1.840466 0.996253 29.066658 86.244300 0.610116 0.433809 -1.040715 0.008024 0.083602 -0.034014 0.090613 -0.022173 0.031589 -0.030457 -0.056861 0.016316 -0.049645 -0.012584 0.062228 10.401989 12.780394 -0.458932 4.575257 6.663819 -0.872528 11.761755 -0.000000 201 C 3.570245 8.047472 21.649278 -0.077733 27.015967 0.37842253E+03 0.87013957E+04 8.146275 6.616834 -0.490048 1.852250 0.996160 28.774131 85.215697 0.613959 0.433865 -1.040260 -0.087118 -0.009974 0.021601 0.090308 0.021677 -0.039523 -0.020733 0.011703 -0.012045 -0.038151 -0.018561 0.056712 9.655561 8.205129 0.581139 -0.774550 9.732474 -3.857807 11.029081 -0.000000 202 C 3.907755 5.346162 24.843434 0.114260 27.567649 0.32617902E+03 0.71782050E+04 8.072089 6.109910 0.068003 2.032394 0.999694 26.175912 74.190626 0.648487 0.429185 -1.050126 -0.042878 0.005411 -0.004591 0.043461 -0.001773 -0.001025 0.044072 0.007600 -0.020482 -0.047800 0.007098 0.040702 9.261497 9.813911 0.402157 0.378771 8.675600 -4.776638 9.294980 -0.000000 203 C 3.869708 6.262963 23.792791 -0.283243 36.764736 0.47293573E+03 0.11382614E+05 9.650253 7.291761 -0.006161 1.960801 0.998979 31.083360 91.129211 0.603632 0.421594 -1.058365 0.023386 -0.009002 0.021650 0.033116 -0.000174 -0.008878 -0.007889 -0.000469 0.002770 -0.011775 -0.000261 0.012035 11.215348 11.243687 0.052425 0.718192 10.764048 -6.450641 11.638308 -0.000001 204 C 2.652217 6.594337 23.307183 0.315446 30.160118 0.31742504E+03 0.68878885E+04 8.571981 6.044964 0.107026 2.063248 0.999408 23.961249 65.852649 0.653858 0.431695 -1.056256 -0.008978 0.042311 -0.030931 0.053174 0.005940 -0.010634 -0.014530 -0.032335 0.022057 -0.023535 -0.003917 0.027452 10.663514 9.944245 0.970446 -0.423692 10.609024 -6.805748 11.437273 -0.000000 205 C 1.539047 5.957363 23.817926 -0.276166 38.087411 0.47120673E+03 0.11289040E+05 9.753100 7.179433 0.132359 2.002644 0.999800 30.732787 88.821662 0.623247 0.410204 -1.069561 -0.009162 -0.003823 0.011729 0.015366 -0.015359 0.021444 -0.002020 0.021356 -0.023679 -0.023794 -0.008983 0.032777 11.633898 12.263125 1.016763 -0.410387 10.817946 -6.382524 11.820623 -0.000001 206 C 1.703506 5.054063 24.845948 0.085230 27.707366 0.32916014E+03 0.72615942E+04 8.076137 6.120973 0.189397 2.067818 0.999819 26.471157 75.163054 0.650454 0.426840 -1.051379 0.046871 0.003032 0.000045 0.046969 0.012213 -0.014657 0.030634 -0.005340 -0.029080 -0.041270 0.010504 0.030766 9.332098 10.089029 0.071150 0.252666 8.519844 -4.690224 9.387421 -0.000000 207 C 3.068275 9.204825 8.231713 0.088061 32.154193 0.39608560E+03 0.91666191E+04 9.805094 7.355482 -0.729962 1.806245 0.996079 26.773042 78.273224 0.516680 0.512229 -1.002904 -0.000000 -0.000000 0.008585 0.008585 -0.005120 -0.000000 0.000000 -0.014862 -0.025103 -0.008368 -0.004840 0.013208 12.605171 10.199200 0.320678 0.000000 13.293927 0.000000 14.322386 -0.000000 208 C 3.068275 9.204825 20.799213 0.088061 32.154188 0.39608558E+03 0.91666184E+04 9.805094 7.355482 -0.729962 1.806245 0.996079 26.773042 78.273225 0.516680 0.512229 -1.002904 -0.000000 -0.000000 0.008585 0.008585 0.005120 0.000000 0.000000 0.014862 -0.025103 -0.008368 -0.004840 0.013208 12.605169 13.293925 -0.320677 -0.000000 10.199202 -0.000000 14.322382 -0.000000 209 S 6.649320 8.884006 23.162908 -0.694472 177.054791 0.53672581E+04 0.22307431E+06 21.890222 20.184342 1.168528 1.956578 0.998659 85.935207 271.288866 0.517727 0.284648 -1.240973 0.026735 -0.039898 -0.027375 0.055281 -0.142906 -0.175412 0.278876 0.179443 -0.068298 -0.331216 -0.069177 0.400393 23.545554 31.538778 0.884482 1.344082 19.236241 0.678267 19.861642 0.000003 210 S 11.760330 9.525644 23.162908 -0.694472 177.054790 0.53672580E+04 0.22307430E+06 21.890221 20.184342 1.168528 1.956579 0.998659 85.935207 271.288865 0.517727 0.284648 -1.240973 -0.026735 0.039898 -0.027375 0.055281 -0.142906 0.175412 -0.278876 0.179443 -0.068298 -0.331216 -0.069177 0.400393 23.545554 31.538778 0.884481 -1.344082 19.236241 -0.678267 19.861642 0.000003 211 S 3.389094 0.512770 10.595408 -0.694472 177.054745 0.53672565E+04 0.22307423E+06 21.890219 20.184340 1.168528 1.956578 0.998659 85.935208 271.288871 0.517727 0.284648 -1.240973 0.039898 0.026735 -0.027375 0.055281 0.142906 -0.278876 -0.175411 -0.179443 -0.068298 -0.331216 -0.069177 0.400392 23.545550 19.236240 -0.884480 -0.678266 31.538775 1.344081 19.861637 0.000003 212 S 2.747456 5.623780 10.595408 -0.694472 177.054738 0.53672562E+04 0.22307421E+06 21.890218 20.184339 1.168528 1.956579 0.998659 85.935206 271.288863 0.517727 0.284648 -1.240973 -0.039898 -0.026735 -0.027375 0.055281 0.142906 0.278876 0.175412 -0.179443 -0.068298 -0.331216 -0.069177 0.400392 23.545550 19.236239 -0.884480 0.678266 31.538774 -1.344081 19.861636 0.000003 213 S 5.623780 3.389094 1.972092 -0.694472 177.054739 0.53672562E+04 0.22307421E+06 21.890218 20.184339 1.168528 1.956578 0.998659 85.935206 271.288864 0.517727 0.284648 -1.240973 -0.026735 0.039898 0.027375 0.055281 -0.142906 -0.175411 0.278876 0.179443 -0.068298 -0.331216 -0.069177 0.400392 23.545550 31.538774 0.884482 1.344083 19.236240 0.678267 19.861637 0.000003 214 S 0.512770 2.747456 1.972092 -0.694472 177.054735 0.53672560E+04 0.22307420E+06 21.890218 20.184339 1.168528 1.956578 0.998659 85.935206 271.288861 0.517727 0.284648 -1.240973 0.026735 -0.039898 0.027375 0.055281 -0.142906 0.175412 -0.278876 0.179443 -0.068298 -0.331216 -0.069177 0.400392 23.545550 31.538773 0.884482 -1.344083 19.236239 -0.678267 19.861636 0.000003 215 S 8.884006 11.760330 14.539592 -0.694472 177.054746 0.53672564E+04 0.22307422E+06 21.890219 20.184340 1.168528 1.956578 0.998659 85.935207 271.288869 0.517727 0.284648 -1.240973 -0.039898 -0.026735 0.027375 0.055281 0.142906 -0.278876 -0.175411 -0.179443 -0.068298 -0.331216 -0.069177 0.400392 23.545551 19.236241 -0.884482 -0.678267 31.538776 1.344084 19.861637 0.000003 216 S 9.525644 6.649320 14.539592 -0.694472 177.054742 0.53672563E+04 0.22307422E+06 21.890219 20.184339 1.168528 1.956578 0.998659 85.935206 271.288865 0.517727 0.284648 -1.240973 0.039898 0.026735 0.027375 0.055281 0.142906 0.278876 0.175411 -0.179443 -0.068298 -0.331216 -0.069177 0.400392 23.545551 19.236240 -0.884482 0.678267 31.538775 -1.344084 19.861637 0.000003 217 N 9.447832 7.574957 21.463782 -0.223579 34.821973 0.51777940E+03 0.12524397E+05 8.991683 7.461838 -0.132023 1.989850 0.997432 27.829106 77.211593 0.627937 0.403254 -1.089251 0.008665 -0.104202 -0.088881 0.137233 -0.012683 0.012605 -0.037064 0.093532 -0.075582 -0.067027 0.002094 0.064933 9.877509 10.905526 -1.634232 1.835154 8.653775 2.997352 10.073227 0.000001 218 N 4.739871 3.274463 12.337766 -0.224705 35.492958 0.49908776E+03 0.11955262E+05 9.081929 7.288616 -0.086579 2.001302 0.998337 27.669308 76.258695 0.640589 0.399158 -1.092633 0.087710 0.015971 0.107024 0.139292 -0.013725 -0.041937 -0.005172 -0.074758 -0.116057 -0.072770 0.013541 0.059229 10.260311 9.122567 -0.333479 4.201224 12.107556 0.280166 9.550810 -0.000000 219 N 8.961818 10.834693 21.463782 -0.223579 34.821973 0.51777940E+03 0.12524397E+05 8.991682 7.461838 -0.132023 1.989850 0.997432 27.829106 77.211592 0.627937 0.403254 -1.089251 -0.008665 0.104202 -0.088881 0.137233 -0.012683 -0.012605 0.037064 0.093532 -0.075582 -0.067027 0.002094 0.064933 9.877509 10.905526 -1.634232 -1.835154 8.653775 -2.997352 10.073227 0.000001 220 N 1.396679 2.862087 12.337766 -0.224705 35.492958 0.49908777E+03 0.11955262E+05 9.081929 7.288616 -0.086579 2.001302 0.998337 27.669308 76.258695 0.640589 0.399158 -1.092633 -0.087710 -0.015971 0.107024 0.139292 -0.013725 0.041937 0.005172 -0.074758 -0.116057 -0.072770 0.013541 0.059229 10.260311 9.122567 -0.333479 -4.201224 12.107556 -0.280166 9.550810 -0.000000 221 N 4.698143 3.311282 8.896282 -0.223579 34.821975 0.51777944E+03 0.12524398E+05 8.991683 7.461838 -0.132023 1.989850 0.997432 27.829107 77.211595 0.627937 0.403253 -1.089251 0.104202 0.008665 -0.088881 0.137233 0.012683 0.037064 0.012605 -0.093532 -0.075582 -0.067027 0.002094 0.064933 9.877509 8.653775 1.634232 -2.997352 10.905526 1.835154 10.073227 0.000001 222 N 8.998637 10.876421 24.905266 -0.224705 35.492965 0.49908795E+03 0.11955267E+05 9.081930 7.288618 -0.086579 2.001302 0.998337 27.669309 76.258698 0.640589 0.399158 -1.092633 -0.015971 0.087710 0.107024 0.139292 0.013725 0.005172 -0.041937 0.074758 -0.116057 -0.072770 0.013541 0.059229 10.260313 12.107554 0.333478 -0.280168 9.122570 4.201227 9.550815 -0.000000 223 N 1.438407 2.825268 8.896282 -0.223579 34.821973 0.51777941E+03 0.12524398E+05 8.991683 7.461839 -0.132023 1.989850 0.997432 27.829106 77.211595 0.627937 0.403254 -1.089251 -0.104202 -0.008665 -0.088881 0.137233 0.012683 -0.037064 -0.012605 -0.093532 -0.075582 -0.067027 0.002094 0.064933 9.877509 8.653775 1.634232 2.997352 10.905526 -1.835154 10.073227 0.000001 224 N 9.411013 7.533229 24.905266 -0.224705 35.492963 0.49908793E+03 0.11955266E+05 9.081930 7.288618 -0.086579 2.001302 0.998337 27.669308 76.258694 0.640589 0.399158 -1.092633 0.015971 -0.087710 0.107024 0.139292 0.013725 -0.005172 0.041937 0.074758 -0.116057 -0.072770 0.013541 0.059229 10.260313 12.107553 0.333478 0.280168 9.122570 -4.201226 9.550814 -0.000000 225 N 2.825268 4.698143 3.671218 -0.223579 34.821978 0.51777964E+03 0.12524405E+05 8.991684 7.461840 -0.132023 1.989850 0.997432 27.829106 77.211594 0.627937 0.403254 -1.089251 -0.008665 0.104202 0.088881 0.137234 -0.012683 0.012605 -0.037064 0.093532 -0.075582 -0.067027 0.002094 0.064933 9.877510 10.905522 -1.634230 1.835154 8.653776 2.997354 10.073233 0.000001 226 N 7.533229 8.998637 12.797234 -0.224705 35.492956 0.49908775E+03 0.11955261E+05 9.081928 7.288616 -0.086579 2.001302 0.998337 27.669308 76.258693 0.640589 0.399158 -1.092633 -0.087710 -0.015971 -0.107024 0.139292 -0.013725 -0.041937 -0.005172 -0.074758 -0.116057 -0.072770 0.013541 0.059229 10.260311 9.122567 -0.333479 4.201224 12.107556 0.280165 9.550809 -0.000000 227 N 3.311282 1.438407 3.671218 -0.223579 34.821978 0.51777964E+03 0.12524405E+05 8.991684 7.461840 -0.132023 1.989850 0.997432 27.829106 77.211595 0.627937 0.403254 -1.089251 0.008665 -0.104202 0.088881 0.137234 -0.012683 -0.012605 0.037064 0.093532 -0.075582 -0.067027 0.002094 0.064933 9.877511 10.905523 -1.634230 -1.835154 8.653776 -2.997354 10.073233 0.000001 228 N 10.876421 9.411013 12.797234 -0.224705 35.492956 0.49908775E+03 0.11955261E+05 9.081929 7.288616 -0.086579 2.001302 0.998337 27.669308 76.258695 0.640589 0.399158 -1.092633 0.087710 0.015971 -0.107024 0.139292 -0.013725 0.041937 0.005172 -0.074758 -0.116057 -0.072770 0.013541 0.059229 10.260311 9.122568 -0.333479 -4.201224 12.107556 -0.280165 9.550809 -0.000000 229 N 7.574957 8.961818 16.238718 -0.223579 34.821979 0.51777965E+03 0.12524405E+05 8.991684 7.461840 -0.132023 1.989850 0.997432 27.829106 77.211595 0.627937 0.403254 -1.089251 -0.104202 -0.008665 0.088881 0.137234 0.012683 0.037064 0.012605 -0.093532 -0.075582 -0.067027 0.002094 0.064933 9.877511 8.653777 1.634230 -2.997354 10.905523 1.835154 10.073233 0.000001 230 N 3.274463 1.396679 0.229734 -0.224705 35.492958 0.49908779E+03 0.11955262E+05 9.081929 7.288616 -0.086579 2.001302 0.998337 27.669309 76.258696 0.640589 0.399158 -1.092633 0.015971 -0.087710 -0.107024 0.139292 0.013725 0.005172 -0.041937 0.074758 -0.116057 -0.072770 0.013541 0.059229 10.260311 12.107556 0.333479 -0.280165 9.122567 4.201224 9.550809 -0.000000 231 N 10.834693 9.447832 16.238718 -0.223579 34.821979 0.51777965E+03 0.12524405E+05 8.991684 7.461840 -0.132023 1.989850 0.997432 27.829106 77.211595 0.627937 0.403254 -1.089251 0.104202 0.008665 0.088881 0.137234 0.012683 -0.037064 -0.012605 -0.093532 -0.075582 -0.067027 0.002094 0.064933 9.877511 8.653776 1.634230 2.997354 10.905523 -1.835154 10.073233 0.000001 232 N 2.862087 4.739871 0.229734 -0.224705 35.492956 0.49908776E+03 0.11955261E+05 9.081929 7.288616 -0.086579 2.001302 0.998337 27.669308 76.258694 0.640589 0.399158 -1.092633 -0.015971 0.087710 -0.107024 0.139292 0.013725 -0.005172 0.041937 0.074758 -0.116057 -0.072770 0.013541 0.059229 10.260311 12.107556 0.333479 0.280165 9.122567 -4.201224 9.550809 -0.000000 233 O 9.809889 4.569275 18.664748 -0.185147 30.434613 0.32862998E+03 0.69672408E+04 7.880580 5.550113 0.461229 2.285041 0.999312 22.103627 54.102285 0.821911 0.351502 -1.147994 -0.167729 0.062873 -0.026193 0.181031 0.046703 0.084549 0.103566 -0.015864 0.136289 -0.099115 -0.070019 0.169134 10.407540 5.647881 1.692104 2.185645 12.947398 7.931353 12.627342 -0.000001 234 O 7.476773 3.712613 15.405242 -0.194187 31.050288 0.34611227E+03 0.74330366E+04 7.996308 5.726534 0.474751 2.290556 0.999004 22.265624 54.837903 0.802710 0.355302 -1.144995 -0.001388 -0.172277 -0.024522 0.174019 -0.058738 0.115530 -0.070043 0.008298 0.069829 -0.108722 -0.060796 0.169519 10.264606 11.221058 -1.790625 7.441402 7.165179 -1.842743 12.407580 0.000000 235 O 8.599761 1.567275 18.664748 -0.185147 30.434613 0.32862999E+03 0.69672410E+04 7.880581 5.550113 0.461229 2.285041 0.999312 22.103627 54.102286 0.821911 0.351502 -1.147994 0.167729 -0.062873 -0.026193 0.181031 0.046703 -0.084549 -0.103566 -0.015864 0.136289 -0.099115 -0.070019 0.169134 10.407541 5.647881 1.692104 -2.185645 12.947399 -7.931353 12.627342 -0.000001 236 O 10.932877 2.423937 15.405242 -0.194187 31.050289 0.34611228E+03 0.74330370E+04 7.996308 5.726535 0.474751 2.290556 0.999004 22.265624 54.837904 0.802710 0.355302 -1.144995 0.001388 0.172277 -0.024522 0.174019 -0.058738 -0.115530 0.070043 0.008297 0.069829 -0.108723 -0.060796 0.169519 10.264606 11.221059 -1.790625 -7.441403 7.165180 1.842743 12.407581 0.000000 237 O 7.703825 3.673339 6.097248 -0.185147 30.434610 0.32862998E+03 0.69672407E+04 7.880580 5.550113 0.461229 2.285041 0.999312 22.103626 54.102284 0.821911 0.351502 -1.147994 -0.062873 -0.167729 -0.026193 0.181031 -0.046703 -0.103566 0.084549 0.015864 0.136289 -0.099115 -0.070019 0.169134 10.407539 12.947396 -1.692104 -7.931351 5.647881 2.185645 12.627341 -0.000001 238 O 8.560487 1.340223 2.837742 -0.194187 31.050290 0.34611226E+03 0.74330364E+04 7.996308 5.726535 0.474751 2.290556 0.999004 22.265623 54.837902 0.802710 0.355302 -1.144995 0.172277 -0.001388 -0.024522 0.174019 0.058738 0.070043 0.115529 -0.008297 0.069829 -0.108722 -0.060796 0.169519 10.264607 7.165180 1.790626 1.842743 11.221061 7.441404 12.407581 0.000000 239 O 10.705825 2.463211 6.097248 -0.185147 30.434610 0.32862998E+03 0.69672408E+04 7.880580 5.550113 0.461229 2.285041 0.999312 22.103627 54.102285 0.821911 0.351502 -1.147994 0.062873 0.167729 -0.026193 0.181031 -0.046703 0.103566 -0.084549 0.015864 0.136289 -0.099115 -0.070019 0.169134 10.407539 12.947396 -1.692103 7.931351 5.647880 -2.185645 12.627340 -0.000001 240 O 9.849163 4.796327 2.837742 -0.194187 31.050288 0.34611224E+03 0.74330359E+04 7.996308 5.726534 0.474751 2.290556 0.999004 22.265623 54.837900 0.802710 0.355302 -1.144995 -0.172277 0.001388 -0.024522 0.174019 0.058738 -0.070043 -0.115529 -0.008298 0.069829 -0.108722 -0.060796 0.169519 10.264606 7.165180 1.790626 -1.842743 11.221060 -7.441403 12.407580 0.000000 241 O 2.463211 7.703825 6.470252 -0.185147 30.434613 0.32862999E+03 0.69672408E+04 7.880580 5.550113 0.461229 2.285041 0.999312 22.103627 54.102284 0.821911 0.351502 -1.147994 0.167729 -0.062873 0.026193 0.181031 0.046703 0.084549 0.103566 -0.015864 0.136289 -0.099115 -0.070019 0.169134 10.407540 5.647881 1.692104 2.185646 12.947397 7.931352 12.627341 -0.000001 242 O 4.796327 8.560487 9.729759 -0.194187 31.050293 0.34611220E+03 0.74330347E+04 7.996308 5.726534 0.474751 2.290556 0.999004 22.265624 54.837902 0.802710 0.355302 -1.144995 0.001388 0.172277 0.024522 0.174019 -0.058738 0.115530 -0.070043 0.008297 0.069829 -0.108723 -0.060796 0.169519 10.264608 11.221063 -1.790624 7.441406 7.165178 -1.842743 12.407582 0.000000 243 O 3.673339 10.705825 6.470252 -0.185147 30.434611 0.32862997E+03 0.69672404E+04 7.880580 5.550113 0.461229 2.285041 0.999312 22.103627 54.102283 0.821911 0.351502 -1.147994 -0.167729 0.062873 0.026193 0.181031 0.046703 -0.084549 -0.103566 -0.015864 0.136289 -0.099115 -0.070019 0.169134 10.407539 5.647881 1.692104 -2.185646 12.947396 -7.931351 12.627340 -0.000001 244 O 1.340223 9.849163 9.729759 -0.194187 31.050292 0.34611218E+03 0.74330342E+04 7.996308 5.726534 0.474751 2.290556 0.999004 22.265623 54.837900 0.802710 0.355302 -1.144995 -0.001388 -0.172277 0.024522 0.174019 -0.058738 -0.115529 0.070043 0.008297 0.069829 -0.108722 -0.060796 0.169519 10.264608 11.221063 -1.790624 -7.441406 7.165178 1.842742 12.407582 0.000000 245 O 4.569275 8.599761 19.037752 -0.185147 30.434613 0.32862999E+03 0.69672408E+04 7.880580 5.550113 0.461229 2.285041 0.999312 22.103627 54.102284 0.821911 0.351502 -1.147994 0.062873 0.167729 0.026193 0.181031 -0.046703 -0.103566 0.084549 0.015864 0.136289 -0.099115 -0.070019 0.169134 10.407540 12.947397 -1.692104 -7.931353 5.647881 2.185646 12.627342 -0.000001 246 O 3.712613 10.932877 22.297258 -0.194187 31.050290 0.34611226E+03 0.74330363E+04 7.996308 5.726534 0.474751 2.290556 0.999004 22.265623 54.837902 0.802710 0.355302 -1.144995 -0.172277 0.001388 0.024522 0.174019 0.058738 0.070043 0.115529 -0.008297 0.069829 -0.108722 -0.060796 0.169519 10.264607 7.165180 1.790626 1.842743 11.221060 7.441404 12.407581 0.000000 247 O 1.567275 9.809889 19.037752 -0.185147 30.434613 0.32862998E+03 0.69672407E+04 7.880580 5.550113 0.461229 2.285041 0.999312 22.103627 54.102284 0.821911 0.351502 -1.147994 -0.062873 -0.167729 0.026193 0.181031 -0.046703 0.103566 -0.084549 0.015864 0.136289 -0.099115 -0.070019 0.169134 10.407540 12.947397 -1.692104 7.931352 5.647881 -2.185646 12.627341 -0.000001 248 O 2.423937 7.476773 22.297258 -0.194187 31.050292 0.34611229E+03 0.74330372E+04 7.996309 5.726535 0.474751 2.290556 0.999004 22.265624 54.837905 0.802710 0.355302 -1.144995 0.172277 -0.001388 0.024522 0.174019 0.058738 -0.070043 -0.115530 -0.008297 0.069829 -0.108722 -0.060796 0.169519 10.264608 7.165180 1.790626 -1.842743 11.221061 -7.441404 12.407582 0.000000 ****************************************************** Auxiliary information for the entire system The total spin magnetic moment of the unit cell is -0.000020 The total net atomic charge of the unit cell is 0.000008 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= 148082 The rms potential error without charges in kcal/mol is= 5.25919 The rms potential error with partial charges in kcal/mol is= 0.94347 The RRMSE value at monopole order= 0.17940 The rms potential error with partial charges and cloud penetration in kcal/mol is= 0.92992 The RRMSE value at monopole order with cloud penetration is= 0.17682 The rms potential error with partial charges and atomic dipoles in kcal/mol is= 0.54052 The RRMSE value at dipole order= 0.10278 The rms potential error with partial charges, atomic dipoles and cloud penetration in kcal/mol is= 0.52030 The RRMSE value at dipole order with cloud penetration= 0.09893 ****************************************************** 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.