236 jmolscript: load "" {1 1 1} spacegroup "x,y,z" unitcell [{ 8.707600 0.000000 0.000000 }, { 0.000000 15.686000 0.000000 }, { 0.000000 0.000000 19.368000 }] Zn 3.857031 0.592460 14.378610 0.799807 Zn 0.496769 15.093540 4.694610 0.799807 Zn 4.850569 8.435460 14.673390 0.799807 Zn 8.210831 7.250540 4.989390 0.799809 H 0.622593 2.367017 16.683595 0.104862 H 8.199076 3.739542 18.138132 0.113396 H 0.164574 3.794443 1.001326 0.086900 H 4.568878 14.838956 3.003977 0.115162 H 6.522863 15.198165 1.838023 0.118645 H 6.491516 0.726262 19.276970 0.087990 H 4.499217 2.505054 11.843532 0.122001 H 5.753111 4.572469 12.017844 0.142860 H 6.279050 3.441508 16.472484 0.178266 H 5.248071 2.260353 16.456990 0.189506 H 6.740553 2.004671 16.052198 0.181693 H 6.848527 5.904210 13.948834 0.121822 H 6.609068 5.352063 15.397560 0.103625 H 8.508196 3.977970 15.200006 0.097243 H 0.190696 5.483826 15.033442 0.112039 H 8.547380 3.741111 12.899088 0.110436 H 0.295188 5.231281 12.769322 0.106973 H 2.139457 3.932480 12.498170 0.107080 H 1.838174 3.134063 13.813258 0.114226 H 2.823875 4.089340 16.027020 0.134708 H 4.130015 6.094011 16.611934 0.120116 H 3.614525 7.239089 12.099190 0.189924 H 2.925754 5.885387 11.711830 0.181872 H 2.068055 7.066543 12.285122 0.182834 H 3.731207 13.318983 6.999595 0.104863 H 4.862324 11.946458 8.454132 0.113396 H 4.189226 11.891557 10.685326 0.086900 H 8.492522 0.847044 12.687977 0.115162 H 6.538537 0.487835 11.522023 0.118645 H 6.569884 14.959738 9.592970 0.087990 H 8.562183 13.180946 2.159532 0.122001 H 7.308289 11.113531 2.333844 0.142860 H 6.782350 12.244492 6.788484 0.178266 H 7.813329 13.425647 6.772990 0.189506 H 6.320847 13.681329 6.368198 0.181694 H 6.212873 9.781790 4.264834 0.121822 H 6.452332 10.333937 5.713560 0.103625 H 4.553204 11.708030 5.516006 0.097243 H 4.163104 10.202174 5.349442 0.112039 H 4.514020 11.944889 3.215088 0.110436 H 4.058612 10.454719 3.085322 0.106973 H 2.214343 11.753520 2.814170 0.107080 H 2.515626 12.551937 4.129258 0.114226 H 1.529925 11.596660 6.343020 0.134708 H 0.223785 9.591989 6.927934 0.120117 H 0.739275 8.446911 2.415190 0.189924 H 1.428046 9.800613 2.027830 0.181872 H 2.285745 8.619457 2.601122 0.182834 H 8.085007 10.210017 12.368405 0.104863 H 0.508524 11.582542 10.913868 0.113396 H 8.543026 11.637443 8.682674 0.086900 H 4.138722 6.995956 6.680023 0.115162 H 2.184737 7.355165 7.845977 0.118645 H 2.216084 8.569262 9.775030 0.087990 H 4.208383 10.348054 17.208468 0.122001 H 2.954489 12.415469 17.034156 0.142860 H 2.428550 11.284508 12.579516 0.178266 H 3.459529 10.103353 12.595010 0.189506 H 1.967047 9.847671 12.999802 0.181693 H 1.859073 13.747210 15.103166 0.121822 H 2.098532 13.195063 13.654440 0.103625 H 0.199404 11.820970 13.851994 0.097242 H 8.516904 13.326826 14.018558 0.112039 H 0.160220 11.584111 16.152912 0.110436 H 8.412412 13.074281 16.282678 0.106973 H 6.568143 11.775480 16.553830 0.107079 H 6.869426 10.977063 15.238742 0.114226 H 5.883725 11.932340 13.024980 0.134708 H 4.577585 13.937011 12.440066 0.120117 H 5.093075 15.082089 16.952810 0.189924 H 5.781846 13.728387 17.340170 0.181871 H 6.639545 14.909543 16.766878 0.182834 H 4.976393 5.475983 2.684405 0.104862 H 3.845276 4.103458 1.229868 0.113396 H 4.518374 4.048557 18.366674 0.086900 H 0.215078 8.690044 16.364023 0.115162 H 2.169063 8.330835 17.529977 0.118645 H 2.137716 7.116738 0.091030 0.087990 H 0.145417 5.337946 7.524468 0.122001 H 1.399311 3.270531 7.350156 0.142860 H 1.925250 4.401492 2.895516 0.178266 H 0.894271 5.582647 2.911010 0.189506 H 2.386753 5.838329 3.315802 0.181694 H 2.494727 1.938790 5.419166 0.121822 H 2.255268 2.490937 3.970440 0.103625 H 4.154396 3.865030 4.167994 0.097243 H 4.544496 2.359174 4.334558 0.112039 H 4.193580 4.101889 6.468912 0.110436 H 4.648988 2.611719 6.598678 0.106974 H 6.493257 3.910520 6.869830 0.107080 H 6.191974 4.708937 5.554742 0.114225 H 7.177675 3.753660 3.340980 0.134708 H 8.483815 1.748989 2.756066 0.120117 H 7.968325 0.603911 7.268810 0.189924 H 7.279554 1.957613 7.656170 0.181871 H 6.421855 0.776457 7.082878 0.182834 C 2.591382 0.694890 17.030282 0.601769 C 1.905223 1.604678 18.031608 -0.077812 C 0.867277 2.395252 17.580334 -0.096272 C 0.199404 3.212493 18.432526 -0.131369 C 0.613886 3.236022 0.408665 0.068454 C 2.250915 1.662716 0.015494 0.153781 C 3.421216 0.916062 0.550051 0.159703 C 3.362004 0.180389 1.729562 -0.094873 C 4.560170 15.334634 2.217636 -0.074236 C 5.720022 15.547963 1.524262 -0.140941 C 5.694770 0.589794 0.369929 0.088427 C 2.069797 15.538552 2.438431 0.586578 C 4.931114 2.814068 12.608568 -0.049115 C 5.626851 3.949735 12.695724 -0.123868 C 5.696512 2.936419 14.642208 0.349508 C 6.017822 2.635248 16.023146 -0.576264 C 6.939957 5.121479 14.514379 -0.097608 C 8.421991 4.748152 14.617030 -0.185326 C 0.350046 4.442275 13.332931 -0.197415 C 1.789412 4.009342 13.400719 -0.088958 C 3.017183 4.807759 15.469222 -0.114711 C 3.739043 5.919896 15.786857 -0.046917 C 3.134736 6.123814 13.675745 0.352173 C 2.917046 6.621061 12.329669 -0.569832 C 1.762418 14.991110 7.346282 0.601769 C 2.448577 14.081322 8.347608 -0.077812 C 3.486523 13.290748 7.896334 -0.096272 C 4.154396 12.473507 8.748526 -0.131369 C 3.739914 12.449978 10.092665 0.068454 C 2.102885 14.023284 9.699494 0.153781 C 0.932584 14.769938 10.234051 0.159702 C 0.991796 15.505611 11.413562 -0.094874 C 8.501230 0.351366 11.901636 -0.074236 C 7.341378 0.138037 11.208262 -0.140940 C 7.366630 15.096206 10.053929 0.088426 C 2.284003 0.147448 12.122431 0.586578 C 8.130286 12.871932 2.924568 -0.049115 C 7.434549 11.736265 3.011724 -0.123867 C 7.364888 12.749581 4.958208 0.349508 C 7.043578 13.050752 6.339146 -0.576264 C 6.121443 10.564521 4.830379 -0.097608 C 4.639409 10.937848 4.933030 -0.185326 C 4.003754 11.243725 3.648931 -0.197415 C 2.564388 11.676658 3.716719 -0.088958 C 1.336617 10.878241 5.785222 -0.114711 C 0.614757 9.766104 6.102857 -0.046917 C 1.219064 9.562186 3.991745 0.352173 C 1.436754 9.064939 2.645669 -0.569832 C 6.116218 8.537890 12.021718 0.601768 C 6.802377 9.447678 11.020392 -0.077812 C 7.840323 10.238252 11.471666 -0.096272 C 8.508196 11.055493 10.619474 -0.131369 C 8.093714 11.079022 9.275335 0.068453 C 6.456685 9.505716 9.668506 0.153781 C 5.286384 8.759062 9.133949 0.159702 C 5.345596 8.023389 7.954438 -0.094874 C 4.147430 7.491634 7.466364 -0.074236 C 2.987578 7.704963 8.159738 -0.140940 C 3.012830 8.432794 9.314071 0.088426 C 6.637803 7.695552 7.245569 0.586579 C 3.776486 10.657068 16.443432 -0.049115 C 3.080749 11.792735 16.356276 -0.123867 C 3.011088 10.779419 14.409792 0.349508 C 2.689778 10.478248 13.028854 -0.576264 C 1.767643 12.964479 14.537621 -0.097608 C 0.285609 12.591152 14.434970 -0.185326 C 8.357554 12.285275 15.719069 -0.197415 C 6.918188 11.852342 15.651281 -0.088957 C 5.690417 12.650759 13.582778 -0.114711 C 4.968557 13.762896 13.265143 -0.046917 C 5.572864 13.966814 15.376255 0.352173 C 5.790554 14.464061 16.722331 -0.569832 C 6.945182 7.148110 2.337718 0.601769 C 6.259023 6.238322 1.336392 -0.077812 C 5.221077 5.447748 1.787666 -0.096272 C 4.553204 4.630507 0.935474 -0.131369 C 4.967686 4.606978 18.959335 0.068454 C 6.604715 6.180284 -0.015494 0.153781 C 7.775016 6.926938 18.817949 0.159703 C 7.715804 7.662611 17.638438 -0.094874 C 0.206370 8.194366 17.150364 -0.074236 C 1.366222 7.981037 17.843738 -0.140940 C 1.340970 7.253206 18.998071 0.088426 C 6.423597 7.990448 16.929569 0.586579 C 0.577314 5.028932 6.759432 -0.049115 C 1.273051 3.893265 6.672276 -0.123867 C 1.342712 4.906581 4.725792 0.349508 C 1.664022 5.207752 3.344854 -0.576264 C 2.586157 2.721521 4.853621 -0.097608 C 4.068191 3.094848 4.750970 -0.185326 C 4.703846 3.400725 6.035069 -0.197415 C 6.143212 3.833658 5.967281 -0.088958 C 7.370983 3.035241 3.898778 -0.114710 C 8.092843 1.923104 3.581143 -0.046918 C 7.488536 1.719186 5.692255 0.352172 C 7.270846 1.221939 7.038331 -0.569832 N 4.952012 2.178785 13.811321 -0.361255 N 6.118831 4.029733 13.962391 0.010856 N 3.794772 6.748117 14.677070 -0.364716 N 2.634920 4.956776 14.169629 0.001533 N 4.574102 1.113706 19.245982 -0.301732 N 1.630933 2.486231 0.875434 -0.301732 N 8.109388 13.507215 4.127321 -0.361255 N 6.942569 11.656267 4.278391 0.010855 N 0.559028 8.937883 4.993070 -0.364717 N 1.718880 10.729224 4.485629 0.001533 N 8.487298 14.572294 9.561982 -0.301732 N 2.722867 13.199769 10.559434 -0.301732 N 3.755588 10.021785 15.240679 -0.361255 N 2.588769 11.872733 15.089609 0.010855 N 4.912828 14.591117 14.374930 -0.364716 N 6.072680 12.799776 14.882371 0.001533 N 4.133498 8.956706 9.806018 -0.301731 N 7.076667 10.329231 8.808566 -0.301732 N 0.598212 5.664215 5.556679 -0.361256 N 1.765031 3.813267 5.405609 0.010855 N 8.148572 1.094883 4.690930 -0.364716 N 6.988720 2.886224 5.198371 0.001533 N 0.220302 6.729294 0.122018 -0.301731 N 5.984733 5.356769 18.492566 -0.301732 O 2.548715 15.151107 17.156174 -0.581449 O 3.094681 1.303507 16.052198 -0.583124 O 1.019660 15.424044 1.830276 -0.555016 O 2.174288 15.370711 3.701225 -0.582224 O 1.805085 0.534893 7.472174 -0.581449 O 1.259119 14.382493 6.368198 -0.583125 O 3.334140 0.261956 11.514276 -0.555016 O 2.179512 0.315289 13.385225 -0.582224 O 6.158885 7.308107 11.895826 -0.581449 O 5.612919 9.146507 12.999802 -0.583125 O 7.687940 7.581044 7.853724 -0.555016 O 6.533312 7.527711 5.982775 -0.582224 O 6.902515 8.377893 2.211826 -0.581449 O 7.448481 6.539493 3.315802 -0.583125 O 5.373460 8.104956 17.537724 -0.555016 O 6.528088 8.158289 15.666775 -0.582224 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 Zn 3.857031 0.592460 14.378610 0.799807 96.983266 0.20229952E+04 0.65602054E+05 17.162065 14.667519 0.353396 1.963850 0.996634 47.662214 131.085182 0.473624 0.398795 -1.145479 -0.078380 0.010810 0.014515 0.080442 0.002399 0.017403 0.035504 0.017463 0.164726 -0.048806 -0.021642 0.070447 19.517832 16.962086 0.829507 0.007017 25.210206 2.918345 16.381202 -0.000002 2 Zn 0.496769 15.093540 4.694610 0.799807 96.983274 0.20229953E+04 0.65602055E+05 17.162061 14.667515 0.353398 1.963851 0.996634 47.662220 131.085175 0.473624 0.398795 -1.145479 0.078380 -0.010811 0.014515 0.080442 0.002399 -0.017402 -0.035504 0.017463 0.164725 -0.048806 -0.021641 0.070447 19.517827 16.962082 0.829506 -0.007016 25.210200 -2.918344 16.381199 -0.000002 3 Zn 4.850569 8.435460 14.673390 0.799807 96.983286 0.20229955E+04 0.65602065E+05 17.162063 14.667516 0.353397 1.963851 0.996634 47.662223 131.085188 0.473624 0.398795 -1.145479 0.078380 0.010810 -0.014515 0.080442 -0.002399 0.017403 -0.035504 0.017463 0.164725 -0.048806 -0.021642 0.070447 19.517830 16.962085 -0.829507 0.007016 25.210203 -2.918345 16.381200 -0.000002 4 Zn 8.210831 7.250540 4.989390 0.799809 96.983243 0.20229942E+04 0.65602006E+05 17.162051 14.667506 0.353401 1.963852 0.996634 47.662216 131.085114 0.473625 0.398794 -1.145479 -0.078380 -0.010811 -0.014515 0.080442 -0.002399 -0.017403 0.035504 0.017463 0.164725 -0.048806 -0.021642 0.070447 19.517817 16.962073 -0.829505 -0.007016 25.210187 2.918344 16.381189 -0.000002 5 H 0.622593 2.367017 16.683595 0.104862 1.038905 0.74771927E+01 0.72408213E+02 1.711580 1.611730 -0.959125 2.418730 0.997941 3.538502 9.942651 0.485489 1.302799 -0.703500 -0.006849 -0.003304 -0.033660 0.034508 -0.007494 0.004148 0.006471 -0.003422 0.034082 -0.015375 0.001548 0.013826 1.751430 1.565930 -0.071634 0.246643 1.417353 -0.035944 2.271007 -0.000003 6 H 8.199076 3.739542 18.138132 0.113396 0.976114 0.68629167E+01 0.65940812E+02 1.720955 1.603006 -1.227671 2.296193 0.994495 3.765170 11.016661 0.454013 1.404083 -0.681133 -0.024314 0.019919 -0.011662 0.033526 -0.006532 0.001352 0.002283 -0.001764 0.025064 -0.011096 0.002309 0.008787 1.779469 2.061590 -0.494999 0.262499 1.702672 -0.129556 1.574146 -0.000004 7 H 0.164574 3.794443 1.001326 0.086900 1.020493 0.71631384E+01 0.69184904E+02 1.739144 1.612232 -1.021859 2.386780 0.996397 3.725137 10.733574 0.466031 1.360764 -0.690272 -0.024549 0.024642 0.028583 0.045020 -0.012829 -0.002249 0.006071 0.016365 0.030975 -0.020968 0.005621 0.015348 1.802713 1.651002 -0.317869 -0.300084 1.779310 0.393991 1.977828 -0.000002 8 H 4.568878 14.838956 3.003977 0.115162 0.983645 0.70068350E+01 0.66397647E+02 1.620156 1.538482 -0.824095 2.490035 0.999546 3.325514 9.080493 0.510247 1.266760 -0.712319 0.003573 -0.018538 0.034229 0.039090 -0.001383 0.006197 -0.013201 0.005720 0.013945 -0.014763 -0.001308 0.016071 1.649398 1.418010 -0.018798 -0.005778 1.658852 -0.461358 1.871333 -0.000004 9 H 6.522863 15.198165 1.838023 0.118645 1.000697 0.69625991E+01 0.66654166E+02 1.708157 1.583548 -1.038055 2.392178 0.996585 3.572598 10.189385 0.473727 1.350586 -0.692795 0.032410 -0.010574 0.012774 0.036406 -0.004369 -0.003765 -0.011629 0.026725 0.009637 -0.021574 0.008395 0.013179 1.764338 2.210632 -0.346003 0.361436 1.540760 -0.201810 1.541624 -0.000004 10 H 6.491516 0.726262 19.276970 0.087990 1.068966 0.74832842E+01 0.71928041E+02 1.699153 1.577725 -0.735749 2.520208 0.999736 3.408131 9.304533 0.510856 1.247389 -0.716663 0.037828 0.004862 -0.018927 0.042577 -0.005793 -0.002001 -0.011005 0.023592 0.001959 -0.019626 0.006771 0.012855 1.751806 2.154560 0.157739 -0.433626 1.376913 -0.084922 1.723946 -0.000003 11 H 4.499217 2.505054 11.843532 0.122001 1.145154 0.81131602E+01 0.79387934E+02 1.764190 1.635284 -1.004190 2.408006 0.998383 3.368528 9.208289 0.506424 1.236026 -0.719987 -0.018548 -0.013335 -0.042318 0.048090 0.007611 0.008197 -0.008409 -0.009719 0.064375 -0.022655 -0.002084 0.024739 1.809834 1.694435 0.226854 0.382274 1.681539 0.381799 2.053528 -0.000003 12 H 5.753111 4.572469 12.017844 0.142860 1.047761 0.74124188E+01 0.71128237E+02 1.688133 1.584406 -0.885692 2.480098 0.999494 3.228384 8.826966 0.502597 1.270002 -0.712943 0.001017 0.028795 -0.037725 0.047470 0.011835 0.012552 -0.006156 -0.009442 0.054435 -0.026154 0.003499 0.022654 1.719786 1.403299 0.085381 -0.076975 1.912142 -0.488970 1.843918 -0.000004 13 H 6.279050 3.441508 16.472484 0.178266 0.857988 0.62381294E+01 0.59140155E+02 1.651646 1.581481 -1.457521 2.214344 0.992928 3.732607 11.225834 0.429708 1.503504 -0.662609 0.000642 0.008829 0.005973 0.010679 -0.000057 -0.000155 -0.005377 0.006335 0.003847 -0.007214 0.002523 0.004691 1.682309 1.460987 0.226911 0.124337 1.928150 0.310527 1.657791 0.000001 14 H 5.248071 2.260353 16.456990 0.189506 0.883268 0.63780758E+01 0.60877458E+02 1.689370 1.602358 -1.543817 2.173632 0.994122 3.774273 11.435102 0.425088 1.509595 -0.661133 -0.010710 -0.002959 0.004131 0.011855 -0.002889 0.002234 0.002854 -0.000199 -0.010978 -0.006193 0.001432 0.004761 1.730076 1.965063 0.362060 -0.345288 1.608877 -0.187019 1.616287 0.000001 15 H 6.740553 2.004671 16.052198 0.181693 0.827588 0.59248693E+01 0.53962855E+02 1.470958 1.434001 -0.683001 2.582373 0.999996 3.036820 8.190609 0.516700 1.301522 -0.705893 0.006996 -0.009272 -0.000367 0.011621 -0.005180 -0.002322 0.003241 -0.000762 0.000997 -0.005420 -0.001865 0.007285 1.477761 1.640667 -0.300021 0.048548 1.560405 -0.040950 1.232210 0.000004 16 H 6.848527 5.904210 13.948834 0.121822 0.992360 0.76014801E+01 0.74745959E+02 1.734412 1.679253 -1.213268 2.305744 0.993615 3.767539 11.063801 0.447766 1.391123 -0.684371 0.005591 0.029745 -0.019716 0.036121 0.008690 0.002809 -0.001927 -0.007348 -0.015013 -0.009508 -0.002429 0.011937 1.765314 1.532264 -0.129358 0.057806 2.120077 -0.399116 1.643601 -0.000001 17 H 6.609068 5.352063 15.397560 0.103625 1.024216 0.80456358E+01 0.80551058E+02 1.781791 1.734302 -1.452940 2.174980 0.990873 4.102662 12.309248 0.436390 1.401910 -0.680452 -0.005392 0.012985 0.028285 0.031587 0.002492 -0.002479 0.008034 0.004947 -0.005053 -0.010581 0.004205 0.006376 1.798665 1.670928 -0.102009 -0.291195 1.627533 0.213557 2.097534 0.000000 18 H 8.508196 3.977970 15.200006 0.097243 0.908367 0.69711096E+01 0.66435559E+02 1.575402 1.561570 -0.781487 2.495185 0.997513 3.569313 9.998696 0.489954 1.311753 -0.701233 0.001473 -0.024179 0.010600 0.026441 -0.003736 -0.004252 -0.004760 -0.009048 0.004457 -0.009616 0.002076 0.007540 1.572272 1.449591 -0.025537 0.013374 1.680324 -0.371404 1.586902 -0.000001 19 H 0.190696 5.483826 15.033442 0.112039 0.960720 0.74780704E+01 0.72381527E+02 1.624637 1.610822 -0.755902 2.509743 0.998846 3.524828 9.885169 0.486330 1.301178 -0.704082 0.012709 0.026209 0.005111 0.029573 0.004831 -0.001702 0.002325 -0.009505 -0.008960 -0.006900 -0.001571 0.008471 1.620541 1.700526 0.281328 0.121570 1.723524 0.249039 1.437571 -0.000002 20 H 8.547380 3.741111 12.899088 0.110436 1.064339 0.82240963E+01 0.80879403E+02 1.691169 1.649637 -0.743845 2.509990 0.999155 3.482865 9.595990 0.501922 1.240852 -0.718109 -0.013656 -0.019819 -0.003617 0.024339 0.001164 -0.002987 0.003133 -0.004180 -0.006361 -0.005750 0.001131 0.004618 1.701540 1.800199 0.344894 0.166353 1.818786 0.302910 1.485635 -0.000002 21 H 0.295188 5.231281 12.769322 0.106973 1.036827 0.82060958E+01 0.80428700E+02 1.648992 1.638948 -0.666775 2.551010 0.999571 3.399266 9.263152 0.509104 1.227510 -0.722107 -0.002113 0.026069 -0.008834 0.027606 -0.003975 -0.004877 -0.001528 -0.006534 0.001651 -0.008321 0.003218 0.005103 1.636895 1.516376 0.014673 -0.041808 1.827157 -0.368107 1.567152 -0.000002 22 H 2.139457 3.932480 12.498170 0.107080 1.116243 0.88369478E+01 0.88081309E+02 1.721221 1.691443 -0.781893 2.495151 0.998962 3.446239 9.418322 0.506152 1.214069 -0.725323 0.002808 -0.006176 -0.035440 0.036084 0.004669 -0.000441 0.007319 0.000180 0.041250 -0.012801 -0.003319 0.016120 1.716400 1.646919 -0.015682 -0.299450 1.516430 0.081282 1.985853 0.000001 23 H 1.838174 3.134063 13.813258 0.114226 0.950768 0.71814730E+01 0.69267869E+02 1.654784 1.609071 -0.969596 2.417896 0.996389 3.613528 10.337269 0.469699 1.351973 -0.692774 -0.006326 -0.032846 0.014969 0.036646 0.004594 0.004784 -0.002699 -0.005064 -0.001251 -0.008686 0.003227 0.005458 1.672169 1.453969 -0.063358 0.027902 2.130791 -0.212373 1.431746 0.000000 24 H 2.823875 4.089340 16.027020 0.134708 0.916002 0.64383827E+01 0.60803458E+02 1.642709 1.550531 -1.125525 2.355555 0.996988 3.586915 10.361119 0.463169 1.400281 -0.682476 -0.002334 -0.029214 0.031484 0.043014 0.010436 0.011774 -0.006217 -0.004964 0.045423 -0.022838 0.002869 0.019969 1.678754 1.431517 0.159525 -0.093275 1.920144 -0.459484 1.684602 -0.000004 25 H 4.130015 6.094011 16.611934 0.120116 1.000812 0.71226090E+01 0.69354854E+02 1.771570 1.651672 -1.385272 2.225398 0.993413 3.893448 11.621001 0.437954 1.436283 -0.674544 0.016204 0.006580 0.040805 0.044396 0.009733 0.002532 -0.004820 -0.019928 0.042684 -0.021534 0.005502 0.016032 1.817545 1.701392 0.095646 0.450845 1.494108 0.172831 2.257134 -0.000004 26 H 3.614525 7.239089 12.099190 0.189924 0.893043 0.63790981E+01 0.60706352E+02 1.682916 1.587465 -1.571102 2.169139 0.991913 3.709623 11.112543 0.434461 1.481428 -0.666259 0.013708 0.009230 -0.003912 0.016983 0.002796 -0.002144 0.001720 -0.000967 0.002281 -0.004622 0.002153 0.002469 1.732212 1.819206 0.494169 -0.231184 1.860232 -0.295060 1.517198 0.000001 27 H 2.925754 5.885387 11.711830 0.181872 0.930939 0.70201884E+01 0.66487417E+02 1.573068 1.547678 -0.844706 2.507603 0.999595 3.110813 8.463402 0.505442 1.279510 -0.711269 0.004681 -0.009374 -0.010576 0.014887 -0.000314 -0.001087 0.005746 -0.003825 0.006455 -0.004462 -0.002916 0.007378 1.559147 1.282600 0.043378 -0.024138 1.754159 0.242088 1.640683 0.000003 28 H 2.068055 7.066543 12.285122 0.182834 0.842727 0.60832744E+01 0.55533294E+02 1.463838 1.433468 -0.719705 2.564316 0.999996 2.998503 7.983813 0.529688 1.266688 -0.713755 -0.010147 0.007953 0.001329 0.012960 -0.005142 -0.002801 0.001221 0.007096 0.000122 -0.006277 -0.001201 0.007477 1.462608 1.724078 -0.254700 0.035838 1.428423 -0.099937 1.235322 0.000004 29 H 3.731207 13.318983 6.999595 0.104863 1.038904 0.74771860E+01 0.72408126E+02 1.711579 1.611729 -0.959124 2.418731 0.997941 3.538500 9.942641 0.485490 1.302798 -0.703501 0.006849 0.003304 -0.033660 0.034508 -0.007494 -0.004148 -0.006471 -0.003422 0.034082 -0.015375 0.001548 0.013826 1.751428 1.565929 -0.071634 -0.246643 1.417352 0.035944 2.271004 -0.000003 30 H 4.862324 11.946458 8.454132 0.113396 0.976113 0.68629126E+01 0.65940766E+02 1.720955 1.603005 -1.227670 2.296194 0.994495 3.765169 11.016659 0.454012 1.404083 -0.681133 0.024315 -0.019919 -0.011662 0.033526 -0.006532 -0.001352 -0.002283 -0.001764 0.025064 -0.011096 0.002309 0.008787 1.779469 2.061590 -0.494999 -0.262499 1.702672 0.129556 1.574146 -0.000004 31 H 4.189226 11.891557 10.685326 0.086900 1.020493 0.71631379E+01 0.69184902E+02 1.739145 1.612232 -1.021859 2.386780 0.996397 3.725137 10.733576 0.466031 1.360765 -0.690272 0.024549 -0.024642 0.028583 0.045020 -0.012829 0.002249 -0.006071 0.016365 0.030975 -0.020968 0.005621 0.015348 1.802714 1.651002 -0.317869 0.300084 1.779310 -0.393991 1.977828 -0.000002 32 H 8.492522 0.847044 12.687977 0.115162 0.983646 0.70068430E+01 0.66397740E+02 1.620157 1.538483 -0.824095 2.490035 0.999546 3.325516 9.080499 0.510248 1.266760 -0.712319 -0.003573 0.018538 0.034229 0.039090 -0.001383 -0.006197 0.013201 0.005720 0.013945 -0.014763 -0.001308 0.016071 1.649399 1.418011 -0.018798 0.005778 1.658853 0.461358 1.871334 -0.000003 33 H 6.538537 0.487835 11.522023 0.118645 1.000697 0.69625953E+01 0.66654124E+02 1.708157 1.583548 -1.038054 2.392178 0.996585 3.572597 10.189383 0.473727 1.350586 -0.692795 -0.032410 0.010574 0.012774 0.036406 -0.004369 0.003765 0.011629 0.026725 0.009637 -0.021574 0.008395 0.013179 1.764338 2.210632 -0.346003 -0.361436 1.540759 0.201810 1.541624 -0.000004 34 H 6.569884 14.959738 9.592970 0.087990 1.068966 0.74832841E+01 0.71928041E+02 1.699153 1.577725 -0.735749 2.520208 0.999736 3.408131 9.304533 0.510856 1.247389 -0.716663 -0.037828 -0.004862 -0.018927 0.042577 -0.005793 0.002001 0.011005 0.023592 0.001959 -0.019626 0.006771 0.012855 1.751806 2.154560 0.157739 0.433626 1.376913 0.084922 1.723947 -0.000003 35 H 8.562183 13.180946 2.159532 0.122001 1.145154 0.81131618E+01 0.79387951E+02 1.764190 1.635284 -1.004190 2.408007 0.998383 3.368529 9.208291 0.506424 1.236025 -0.719987 0.018548 0.013335 -0.042318 0.048090 0.007611 -0.008197 0.008409 -0.009719 0.064375 -0.022655 -0.002084 0.024739 1.809834 1.694435 0.226854 -0.382274 1.681539 -0.381799 2.053527 -0.000004 36 H 7.308289 11.113531 2.333844 0.142860 1.047760 0.74124124E+01 0.71128160E+02 1.688133 1.584405 -0.885691 2.480099 0.999494 3.228383 8.826962 0.502597 1.270001 -0.712943 -0.001017 -0.028795 -0.037725 0.047470 0.011835 -0.012552 0.006156 -0.009442 0.054434 -0.026154 0.003499 0.022654 1.719786 1.403299 0.085381 0.076975 1.912141 0.488970 1.843917 -0.000004 37 H 6.782350 12.244492 6.788484 0.178266 0.857987 0.62381238E+01 0.59140089E+02 1.651646 1.581480 -1.457521 2.214345 0.992928 3.732605 11.225827 0.429708 1.503504 -0.662609 -0.000642 -0.008829 0.005973 0.010679 -0.000057 0.000155 0.005377 0.006335 0.003847 -0.007214 0.002523 0.004691 1.682309 1.460987 0.226911 -0.124337 1.928149 -0.310527 1.657790 0.000001 38 H 7.813329 13.425647 6.772990 0.189506 0.883269 0.63780834E+01 0.60877546E+02 1.689371 1.602358 -1.543818 2.173632 0.994122 3.774275 11.435108 0.425088 1.509595 -0.661133 0.010710 0.002959 0.004131 0.011855 -0.002889 -0.002234 -0.002854 -0.000199 -0.010978 -0.006193 0.001433 0.004761 1.730076 1.965064 0.362060 0.345288 1.608877 0.187019 1.616288 0.000000 39 H 6.320847 13.681329 6.368198 0.181694 0.827587 0.59248626E+01 0.53962778E+02 1.470957 1.434000 -0.683001 2.582373 0.999996 3.036818 8.190602 0.516700 1.301522 -0.705893 -0.006996 0.009272 -0.000367 0.011622 -0.005180 0.002322 -0.003241 -0.000762 0.000997 -0.005420 -0.001865 0.007285 1.477760 1.640666 -0.300020 -0.048547 1.560404 0.040950 1.232209 0.000004 40 H 6.212873 9.781790 4.264834 0.121822 0.992359 0.76014646E+01 0.74745769E+02 1.734410 1.679252 -1.213267 2.305745 0.993615 3.767535 11.063787 0.447766 1.391123 -0.684371 -0.005591 -0.029745 -0.019716 0.036121 0.008690 -0.002809 0.001927 -0.007349 -0.015013 -0.009508 -0.002429 0.011937 1.765312 1.532262 -0.129358 -0.057806 2.120075 0.399115 1.643599 -0.000001 41 H 6.452332 10.333937 5.713560 0.103625 1.024216 0.80456351E+01 0.80551044E+02 1.781790 1.734301 -1.452940 2.174981 0.990873 4.102661 12.309242 0.436391 1.401909 -0.680452 0.005392 -0.012985 0.028285 0.031587 0.002492 0.002479 -0.008034 0.004947 -0.005053 -0.010581 0.004205 0.006376 1.798665 1.670928 -0.102009 0.291195 1.627533 -0.213557 2.097533 0.000000 42 H 4.553204 11.708030 5.516006 0.097243 0.908367 0.69711039E+01 0.66435490E+02 1.575401 1.561569 -0.781486 2.495185 0.997513 3.569311 9.998689 0.489954 1.311753 -0.701233 -0.001473 0.024179 0.010600 0.026441 -0.003736 0.004252 0.004761 -0.009048 0.004457 -0.009616 0.002076 0.007540 1.572272 1.449590 -0.025537 -0.013374 1.680323 0.371404 1.586902 -0.000001 43 H 4.163104 10.202174 5.349442 0.112039 0.960721 0.74780722E+01 0.72381543E+02 1.624637 1.610821 -0.755903 2.509743 0.998846 3.524828 9.885166 0.486331 1.301177 -0.704082 -0.012709 -0.026209 0.005111 0.029573 0.004831 0.001702 -0.002326 -0.009505 -0.008960 -0.006900 -0.001571 0.008471 1.620540 1.700526 0.281328 -0.121570 1.723524 -0.249039 1.437571 -0.000002 44 H 4.514020 11.944889 3.215088 0.110436 1.064339 0.82241007E+01 0.80879456E+02 1.691170 1.649637 -0.743845 2.509990 0.999155 3.482866 9.595993 0.501922 1.240852 -0.718109 0.013656 0.019819 -0.003617 0.024339 0.001164 0.002988 -0.003133 -0.004179 -0.006361 -0.005750 0.001132 0.004618 1.701540 1.800200 0.344894 -0.166353 1.818786 -0.302910 1.485635 -0.000002 45 H 4.058612 10.454719 3.085322 0.106973 1.036827 0.82060943E+01 0.80428686E+02 1.648993 1.638948 -0.666775 2.551010 0.999571 3.399266 9.263153 0.509104 1.227510 -0.722107 0.002113 -0.026069 -0.008834 0.027606 -0.003975 0.004877 0.001528 -0.006534 0.001650 -0.008321 0.003218 0.005103 1.636895 1.516376 0.014673 0.041808 1.827157 0.368107 1.567153 -0.000002 46 H 2.214343 11.753520 2.814170 0.107080 1.116244 0.88369552E+01 0.88081402E+02 1.721222 1.691443 -0.781894 2.495151 0.998962 3.446241 9.418329 0.506152 1.214069 -0.725323 -0.002808 0.006176 -0.035440 0.036084 0.004669 0.000440 -0.007319 0.000180 0.041250 -0.012801 -0.003319 0.016120 1.716401 1.646920 -0.015682 0.299451 1.516430 -0.081283 1.985853 0.000001 47 H 2.515626 12.551937 4.129258 0.114226 0.950767 0.71814722E+01 0.69267862E+02 1.654784 1.609071 -0.969596 2.417896 0.996389 3.613528 10.337270 0.469699 1.351973 -0.692774 0.006326 0.032846 0.014969 0.036646 0.004594 -0.004784 0.002699 -0.005064 -0.001251 -0.008686 0.003227 0.005458 1.672169 1.453969 -0.063358 -0.027902 2.130791 0.212373 1.431746 0.000000 48 H 1.529925 11.596660 6.343020 0.134708 0.916003 0.64383878E+01 0.60803515E+02 1.642710 1.550531 -1.125525 2.355554 0.996988 3.586916 10.361121 0.463169 1.400281 -0.682476 0.002334 0.029214 0.031484 0.043014 0.010436 -0.011774 0.006217 -0.004964 0.045423 -0.022838 0.002869 0.019969 1.678754 1.431517 0.159525 0.093275 1.920144 0.459484 1.684602 -0.000004 49 H 0.223785 9.591989 6.927934 0.120117 1.000811 0.71226059E+01 0.69354818E+02 1.771570 1.651672 -1.385272 2.225399 0.993413 3.893447 11.620998 0.437954 1.436283 -0.674544 -0.016204 -0.006580 0.040805 0.044396 0.009733 -0.002532 0.004820 -0.019928 0.042684 -0.021534 0.005502 0.016032 1.817544 1.701391 0.095645 -0.450844 1.494108 -0.172831 2.257133 -0.000004 50 H 0.739275 8.446911 2.415190 0.189924 0.893046 0.63791254E+01 0.60706662E+02 1.682918 1.587467 -1.571102 2.169139 0.991913 3.709629 11.112557 0.434461 1.481425 -0.666260 -0.013708 -0.009230 -0.003912 0.016983 0.002796 0.002144 -0.001720 -0.000967 0.002281 -0.004622 0.002153 0.002469 1.732214 1.819208 0.494171 0.231185 1.860234 0.295061 1.517199 0.000001 51 H 1.428046 9.800613 2.027830 0.181872 0.930943 0.70202177E+01 0.66487757E+02 1.573071 1.547680 -0.844707 2.507603 0.999595 3.110820 8.463422 0.505443 1.279509 -0.711269 -0.004681 0.009374 -0.010576 0.014887 -0.000314 0.001087 -0.005746 -0.003825 0.006455 -0.004462 -0.002916 0.007378 1.559150 1.282602 0.043379 0.024138 1.754162 -0.242088 1.640686 0.000003 52 H 2.285745 8.619457 2.601122 0.182834 0.842732 0.60833142E+01 0.55533707E+02 1.463837 1.433467 -0.719705 2.564315 0.999996 2.998514 7.983826 0.529692 1.266679 -0.713757 0.010147 -0.007953 0.001329 0.012960 -0.005142 0.002801 -0.001221 0.007096 0.000122 -0.006277 -0.001201 0.007477 1.462608 1.724078 -0.254700 -0.035838 1.428422 0.099937 1.235322 0.000004 53 H 8.085007 10.210017 12.368405 0.104863 1.038905 0.74771897E+01 0.72408171E+02 1.711579 1.611729 -0.959125 2.418730 0.997941 3.538501 9.942645 0.485489 1.302798 -0.703501 0.006849 -0.003304 0.033660 0.034508 0.007494 0.004148 -0.006471 -0.003422 0.034082 -0.015375 0.001548 0.013826 1.751429 1.565929 0.071634 0.246643 1.417352 0.035944 2.271005 -0.000003 54 H 0.508524 11.582542 10.913868 0.113396 0.976113 0.68629126E+01 0.65940766E+02 1.720955 1.603005 -1.227670 2.296194 0.994495 3.765169 11.016659 0.454012 1.404083 -0.681133 0.024315 0.019919 0.011662 0.033526 0.006532 0.001352 -0.002283 -0.001764 0.025064 -0.011096 0.002309 0.008787 1.779469 2.061590 0.494999 0.262499 1.702672 0.129556 1.574146 -0.000004 55 H 8.543026 11.637443 8.682674 0.086900 1.020493 0.71631375E+01 0.69184896E+02 1.739145 1.612232 -1.021859 2.386779 0.996397 3.725137 10.733575 0.466031 1.360765 -0.690272 0.024548 0.024642 -0.028583 0.045020 0.012829 -0.002249 -0.006071 0.016365 0.030975 -0.020968 0.005621 0.015348 1.802713 1.651002 0.317869 -0.300084 1.779310 -0.393991 1.977828 -0.000002 56 H 4.138722 6.995956 6.680023 0.115162 0.983645 0.70068357E+01 0.66397651E+02 1.620156 1.538482 -0.824094 2.490035 0.999546 3.325514 9.080491 0.510248 1.266760 -0.712319 -0.003573 -0.018538 -0.034229 0.039090 0.001383 0.006197 0.013201 0.005720 0.013945 -0.014763 -0.001308 0.016071 1.649398 1.418010 0.018798 -0.005778 1.658851 0.461358 1.871332 -0.000004 57 H 2.184737 7.355165 7.845977 0.118645 1.000697 0.69625979E+01 0.66654151E+02 1.708156 1.583548 -1.038054 2.392178 0.996585 3.572597 10.189381 0.473727 1.350586 -0.692795 -0.032410 -0.010574 -0.012774 0.036406 0.004369 -0.003765 0.011629 0.026725 0.009637 -0.021574 0.008395 0.013179 1.764338 2.210632 0.346003 0.361436 1.540759 0.201810 1.541624 -0.000004 58 H 2.216084 8.569262 9.775030 0.087990 1.068965 0.74832775E+01 0.71927960E+02 1.699152 1.577725 -0.735749 2.520209 0.999736 3.408129 9.304526 0.510856 1.247389 -0.716663 -0.037828 0.004862 0.018927 0.042577 0.005793 -0.002001 0.011005 0.023592 0.001959 -0.019626 0.006771 0.012855 1.751805 2.154559 -0.157739 -0.433625 1.376912 0.084921 1.723946 -0.000003 59 H 4.208383 10.348054 17.208468 0.122001 1.145154 0.81131577E+01 0.79387902E+02 1.764190 1.635283 -1.004191 2.408006 0.998383 3.368528 9.208288 0.506424 1.236025 -0.719987 0.018548 -0.013335 0.042318 0.048090 -0.007611 0.008197 0.008409 -0.009719 0.064376 -0.022655 -0.002084 0.024739 1.809834 1.694435 -0.226854 0.382273 1.681539 -0.381799 2.053527 -0.000004 60 H 2.954489 12.415469 17.034156 0.142860 1.047761 0.74124212E+01 0.71128271E+02 1.688134 1.584406 -0.885693 2.480098 0.999494 3.228385 8.826971 0.502597 1.270002 -0.712943 -0.001017 0.028795 0.037725 0.047470 -0.011835 0.012552 0.006156 -0.009442 0.054434 -0.026154 0.003499 0.022654 1.719787 1.403300 -0.085381 -0.076975 1.912143 0.488970 1.843919 -0.000004 61 H 2.428550 11.284508 12.579516 0.178266 0.857987 0.62381220E+01 0.59140071E+02 1.651646 1.581480 -1.457521 2.214344 0.992928 3.732605 11.225829 0.429708 1.503505 -0.662609 -0.000642 0.008829 -0.005973 0.010679 0.000057 -0.000155 0.005377 0.006335 0.003847 -0.007214 0.002523 0.004691 1.682309 1.460987 -0.226911 0.124337 1.928149 -0.310527 1.657790 0.000001 62 H 3.459529 10.103353 12.595010 0.189506 0.883269 0.63780799E+01 0.60877504E+02 1.689370 1.602358 -1.543817 2.173632 0.994122 3.774274 11.435104 0.425088 1.509595 -0.661133 0.010710 -0.002959 -0.004131 0.011855 0.002889 0.002234 -0.002854 -0.000199 -0.010978 -0.006193 0.001433 0.004761 1.730076 1.965063 -0.362060 -0.345288 1.608877 0.187019 1.616287 0.000001 63 H 1.967047 9.847671 12.999802 0.181693 0.827588 0.59248701E+01 0.53962860E+02 1.470957 1.434001 -0.683000 2.582373 0.999996 3.036820 8.190607 0.516700 1.301521 -0.705893 -0.006996 -0.009272 0.000367 0.011621 0.005180 -0.002322 -0.003241 -0.000762 0.000997 -0.005420 -0.001865 0.007285 1.477760 1.640666 0.300021 0.048548 1.560405 0.040950 1.232210 0.000004 64 H 1.859073 13.747210 15.103166 0.121822 0.992359 0.76014717E+01 0.74745856E+02 1.734411 1.679252 -1.213267 2.305744 0.993615 3.767537 11.063794 0.447766 1.391123 -0.684371 -0.005591 0.029745 0.019716 0.036121 -0.008690 0.002809 0.001927 -0.007349 -0.015013 -0.009508 -0.002429 0.011937 1.765313 1.532263 0.129358 0.057806 2.120076 0.399116 1.643600 -0.000001 65 H 2.098532 13.195063 13.654440 0.103625 1.024215 0.80456331E+01 0.80551024E+02 1.781790 1.734301 -1.452940 2.174981 0.990873 4.102661 12.309244 0.436390 1.401910 -0.680452 0.005392 0.012985 -0.028285 0.031587 -0.002492 -0.002479 -0.008034 0.004947 -0.005053 -0.010581 0.004205 0.006376 1.798665 1.670928 0.102009 -0.291195 1.627533 -0.213557 2.097534 0.000000 66 H 0.199404 11.820970 13.851994 0.097242 0.908367 0.69711113E+01 0.66435575E+02 1.575402 1.561570 -0.781486 2.495185 0.997513 3.569313 9.998694 0.489954 1.311753 -0.701233 -0.001473 -0.024179 -0.010600 0.026441 0.003736 -0.004252 0.004760 -0.009048 0.004457 -0.009616 0.002076 0.007540 1.572272 1.449591 0.025537 0.013374 1.680324 0.371405 1.586903 -0.000001 67 H 8.516904 13.326826 14.018558 0.112039 0.960720 0.74780678E+01 0.72381491E+02 1.624637 1.610821 -0.755901 2.509743 0.998846 3.524827 9.885163 0.486331 1.301177 -0.704082 -0.012709 0.026209 -0.005111 0.029573 -0.004831 -0.001702 -0.002326 -0.009505 -0.008960 -0.006900 -0.001571 0.008471 1.620540 1.700525 -0.281328 0.121570 1.723524 -0.249039 1.437570 -0.000002 68 H 0.160220 11.584111 16.152912 0.110436 1.064338 0.82240890E+01 0.80879318E+02 1.691169 1.649637 -0.743844 2.509990 0.999155 3.482864 9.595988 0.501922 1.240852 -0.718109 0.013657 -0.019819 0.003617 0.024339 -0.001164 -0.002987 -0.003133 -0.004180 -0.006361 -0.005750 0.001132 0.004618 1.701540 1.800199 -0.344893 0.166353 1.818786 -0.302910 1.485634 -0.000002 69 H 8.412412 13.074281 16.282678 0.106973 1.036826 0.82060886E+01 0.80428619E+02 1.648992 1.638948 -0.666775 2.551011 0.999571 3.399265 9.263151 0.509104 1.227511 -0.722107 0.002113 0.026069 0.008834 0.027606 0.003975 -0.004877 0.001528 -0.006534 0.001651 -0.008321 0.003218 0.005103 1.636895 1.516376 -0.014673 -0.041808 1.827157 0.368107 1.567152 -0.000002 70 H 6.568143 11.775480 16.553830 0.107079 1.116245 0.88369621E+01 0.88081481E+02 1.721222 1.691444 -0.781894 2.495151 0.998962 3.446242 9.418330 0.506152 1.214069 -0.725323 -0.002808 -0.006176 0.035440 0.036084 -0.004669 -0.000440 -0.007319 0.000180 0.041250 -0.012801 -0.003319 0.016120 1.716401 1.646920 0.015682 -0.299451 1.516430 -0.081283 1.985854 0.000001 71 H 6.869426 10.977063 15.238742 0.114226 0.950768 0.71814727E+01 0.69267870E+02 1.654784 1.609071 -0.969596 2.417896 0.996389 3.613528 10.337271 0.469699 1.351974 -0.692774 0.006326 -0.032846 -0.014969 0.036646 -0.004594 0.004784 0.002699 -0.005064 -0.001251 -0.008686 0.003227 0.005458 1.672169 1.453970 0.063358 0.027902 2.130792 0.212373 1.431746 0.000000 72 H 5.883725 11.932340 13.024980 0.134708 0.916002 0.64383831E+01 0.60803464E+02 1.642709 1.550531 -1.125525 2.355554 0.996989 3.586915 10.361120 0.463169 1.400282 -0.682476 0.002334 -0.029214 -0.031484 0.043014 -0.010436 0.011774 0.006217 -0.004964 0.045423 -0.022838 0.002869 0.019969 1.678754 1.431517 -0.159525 -0.093275 1.920144 0.459484 1.684602 -0.000004 73 H 4.577585 13.937011 12.440066 0.120117 1.000811 0.71226068E+01 0.69354826E+02 1.771570 1.651672 -1.385272 2.225399 0.993413 3.893447 11.620997 0.437954 1.436282 -0.674544 -0.016204 0.006580 -0.040805 0.044396 -0.009733 0.002532 0.004820 -0.019928 0.042684 -0.021534 0.005502 0.016032 1.817544 1.701391 -0.095645 0.450844 1.494108 -0.172831 2.257133 -0.000004 74 H 5.093075 15.082089 16.952810 0.189924 0.893046 0.63791242E+01 0.60706648E+02 1.682918 1.587467 -1.571102 2.169139 0.991913 3.709629 11.112557 0.434461 1.481425 -0.666260 -0.013708 0.009230 0.003912 0.016983 -0.002796 -0.002144 -0.001720 -0.000967 0.002281 -0.004622 0.002153 0.002469 1.732214 1.819208 -0.494171 -0.231185 1.860234 0.295061 1.517199 0.000001 75 H 5.781846 13.728387 17.340170 0.181871 0.930944 0.70202280E+01 0.66487873E+02 1.573071 1.547681 -0.844709 2.507601 0.999595 3.110822 8.463426 0.505443 1.279508 -0.711269 -0.004681 -0.009374 0.010576 0.014887 0.000314 -0.001087 -0.005746 -0.003825 0.006455 -0.004462 -0.002916 0.007378 1.559151 1.282602 -0.043379 -0.024138 1.754163 -0.242089 1.640687 0.000003 76 H 6.639545 14.909543 16.766878 0.182834 0.842731 0.60833093E+01 0.55533652E+02 1.463837 1.433467 -0.719706 2.564315 0.999996 2.998513 7.983823 0.529692 1.266679 -0.713757 0.010147 0.007953 -0.001329 0.012960 0.005142 -0.002801 -0.001221 0.007096 0.000122 -0.006276 -0.001201 0.007477 1.462607 1.724078 0.254700 0.035838 1.428422 0.099937 1.235321 0.000005 77 H 4.976393 5.475983 2.684405 0.104862 1.038905 0.74771891E+01 0.72408168E+02 1.711580 1.611730 -0.959125 2.418731 0.997941 3.538501 9.942647 0.485489 1.302799 -0.703500 -0.006849 0.003304 0.033660 0.034508 0.007494 -0.004148 0.006471 -0.003422 0.034082 -0.015375 0.001548 0.013826 1.751429 1.565930 0.071634 -0.246643 1.417353 -0.035944 2.271006 -0.000003 78 H 3.845276 4.103458 1.229868 0.113396 0.976113 0.68629141E+01 0.65940787E+02 1.720955 1.603006 -1.227672 2.296193 0.994495 3.765170 11.016664 0.454012 1.404083 -0.681133 -0.024315 -0.019919 0.011662 0.033526 0.006532 -0.001352 0.002283 -0.001764 0.025064 -0.011096 0.002309 0.008787 1.779470 2.061590 0.494999 -0.262499 1.702673 -0.129556 1.574146 -0.000004 79 H 4.518374 4.048557 18.366674 0.086900 1.020494 0.71631463E+01 0.69184999E+02 1.739145 1.612233 -1.021859 2.386779 0.996397 3.725139 10.733581 0.466031 1.360764 -0.690272 -0.024548 -0.024642 -0.028583 0.045020 0.012829 0.002249 0.006071 0.016365 0.030975 -0.020968 0.005621 0.015348 1.802714 1.651003 0.317869 0.300084 1.779311 0.393991 1.977829 -0.000002 80 H 0.215078 8.690044 16.364023 0.115162 0.983646 0.70068426E+01 0.66397737E+02 1.620157 1.538483 -0.824095 2.490035 0.999546 3.325516 9.080500 0.510247 1.266760 -0.712319 0.003573 0.018538 -0.034229 0.039090 0.001383 -0.006197 -0.013201 0.005720 0.013945 -0.014763 -0.001308 0.016071 1.649399 1.418011 0.018798 0.005778 1.658853 -0.461358 1.871334 -0.000004 81 H 2.169063 8.330835 17.529977 0.118645 1.000697 0.69625953E+01 0.66654124E+02 1.708157 1.583548 -1.038054 2.392178 0.996585 3.572597 10.189383 0.473727 1.350586 -0.692795 0.032410 0.010574 -0.012774 0.036406 0.004369 0.003765 -0.011629 0.026725 0.009637 -0.021574 0.008395 0.013179 1.764338 2.210632 0.346003 -0.361436 1.540759 -0.201810 1.541624 -0.000003 82 H 2.137716 7.116738 0.091030 0.087990 1.068966 0.74832845E+01 0.71928043E+02 1.699152 1.577725 -0.735749 2.520208 0.999736 3.408131 9.304532 0.510856 1.247389 -0.716663 0.037828 -0.004862 0.018927 0.042577 0.005793 0.002001 -0.011005 0.023592 0.001959 -0.019626 0.006771 0.012855 1.751806 2.154559 -0.157739 0.433626 1.376912 -0.084922 1.723946 -0.000003 83 H 0.145417 5.337946 7.524468 0.122001 1.145154 0.81131550E+01 0.79387864E+02 1.764189 1.635283 -1.004189 2.408007 0.998383 3.368527 9.208283 0.506424 1.236025 -0.719987 -0.018548 0.013335 0.042318 0.048090 -0.007611 -0.008197 -0.008409 -0.009719 0.064376 -0.022655 -0.002084 0.024739 1.809833 1.694434 -0.226853 -0.382273 1.681538 0.381799 2.053526 -0.000004 84 H 1.399311 3.270531 7.350156 0.142860 1.047759 0.74124007E+01 0.71128022E+02 1.688132 1.584404 -0.885690 2.480100 0.999494 3.228380 8.826953 0.502597 1.270002 -0.712943 0.001017 -0.028795 0.037725 0.047470 -0.011835 -0.012552 -0.006156 -0.009442 0.054435 -0.026154 0.003499 0.022654 1.719785 1.403298 -0.085381 0.076975 1.912140 -0.488969 1.843916 -0.000004 85 H 1.925250 4.401492 2.895516 0.178266 0.857987 0.62381218E+01 0.59140067E+02 1.651646 1.581480 -1.457521 2.214344 0.992928 3.732605 11.225828 0.429708 1.503505 -0.662609 0.000642 -0.008829 -0.005973 0.010679 0.000057 0.000155 -0.005377 0.006335 0.003847 -0.007214 0.002523 0.004691 1.682308 1.460987 -0.226911 -0.124337 1.928149 0.310527 1.657790 0.000001 86 H 0.894271 5.582647 2.911010 0.189506 0.883269 0.63780799E+01 0.60877504E+02 1.689370 1.602358 -1.543818 2.173632 0.994122 3.774274 11.435104 0.425088 1.509595 -0.661133 -0.010710 0.002959 -0.004131 0.011855 0.002889 -0.002234 0.002854 -0.000199 -0.010978 -0.006193 0.001432 0.004761 1.730076 1.965063 -0.362060 0.345288 1.608877 -0.187019 1.616287 0.000001 87 H 2.386753 5.838329 3.315802 0.181694 0.827588 0.59248702E+01 0.53962863E+02 1.470957 1.434001 -0.683001 2.582373 0.999996 3.036820 8.190608 0.516700 1.301521 -0.705893 0.006996 0.009272 0.000367 0.011621 0.005180 0.002322 0.003241 -0.000762 0.000997 -0.005420 -0.001865 0.007285 1.477760 1.640666 0.300021 -0.048548 1.560405 -0.040950 1.232210 0.000004 88 H 2.494727 1.938790 5.419166 0.121822 0.992360 0.76014768E+01 0.74745919E+02 1.734411 1.679253 -1.213267 2.305744 0.993615 3.767538 11.063798 0.447766 1.391123 -0.684371 0.005591 -0.029745 0.019716 0.036121 -0.008690 -0.002809 -0.001927 -0.007349 -0.015013 -0.009508 -0.002429 0.011937 1.765314 1.532263 0.129358 -0.057806 2.120077 -0.399116 1.643601 -0.000001 89 H 2.255268 2.490937 3.970440 0.103625 1.024216 0.80456381E+01 0.80551084E+02 1.781791 1.734302 -1.452940 2.174981 0.990873 4.102662 12.309247 0.436390 1.401910 -0.680452 -0.005392 -0.012985 -0.028285 0.031587 -0.002492 0.002479 0.008034 0.004947 -0.005053 -0.010581 0.004205 0.006376 1.798665 1.670928 0.102009 0.291195 1.627533 0.213557 2.097534 0.000000 90 H 4.154396 3.865030 4.167994 0.097243 0.908367 0.69711031E+01 0.66435483E+02 1.575402 1.561569 -0.781486 2.495185 0.997513 3.569311 9.998690 0.489954 1.311753 -0.701232 0.001473 0.024179 -0.010600 0.026441 0.003736 0.004252 -0.004760 -0.009048 0.004457 -0.009616 0.002076 0.007540 1.572272 1.449591 0.025537 -0.013374 1.680323 -0.371404 1.586902 -0.000001 91 H 4.544496 2.359174 4.334558 0.112039 0.960720 0.74780716E+01 0.72381538E+02 1.624637 1.610821 -0.755902 2.509743 0.998846 3.524828 9.885167 0.486330 1.301177 -0.704082 0.012709 -0.026209 -0.005111 0.029573 -0.004831 0.001702 0.002326 -0.009505 -0.008960 -0.006900 -0.001571 0.008471 1.620540 1.700526 -0.281328 -0.121570 1.723524 0.249039 1.437571 -0.000002 92 H 4.193580 4.101889 6.468912 0.110436 1.064336 0.82240737E+01 0.80879126E+02 1.691167 1.649635 -0.743842 2.509992 0.999155 3.482860 9.595973 0.501922 1.240852 -0.718109 -0.013657 0.019819 0.003617 0.024339 -0.001164 0.002987 0.003133 -0.004180 -0.006361 -0.005750 0.001131 0.004618 1.701538 1.800197 -0.344893 -0.166353 1.818784 0.302909 1.485633 -0.000002 93 H 4.648988 2.611719 6.598678 0.106974 1.036826 0.82060820E+01 0.80428532E+02 1.648991 1.638946 -0.666774 2.551011 0.999571 3.399263 9.263142 0.509104 1.227510 -0.722107 -0.002113 -0.026069 0.008834 0.027606 0.003975 0.004877 -0.001528 -0.006534 0.001650 -0.008321 0.003218 0.005103 1.636894 1.516375 -0.014673 0.041808 1.827155 -0.368107 1.567151 -0.000002 94 H 6.493257 3.910520 6.869830 0.107080 1.116243 0.88369422E+01 0.88081234E+02 1.721220 1.691442 -0.781892 2.495152 0.998962 3.446238 9.418317 0.506152 1.214069 -0.725323 0.002808 0.006176 0.035440 0.036084 -0.004669 0.000440 0.007319 0.000180 0.041250 -0.012801 -0.003319 0.016120 1.716400 1.646918 0.015682 0.299450 1.516429 0.081282 1.985852 0.000001 95 H 6.191974 4.708937 5.554742 0.114225 0.950768 0.71814739E+01 0.69267878E+02 1.654784 1.609071 -0.969595 2.417896 0.996389 3.613528 10.337268 0.469699 1.351973 -0.692774 -0.006326 0.032846 -0.014969 0.036646 -0.004594 -0.004784 -0.002699 -0.005064 -0.001251 -0.008686 0.003227 0.005458 1.672169 1.453969 0.063358 -0.027902 2.130791 -0.212373 1.431746 0.000000 96 H 7.177675 3.753660 3.340980 0.134708 0.916003 0.64383839E+01 0.60803472E+02 1.642709 1.550531 -1.125525 2.355555 0.996989 3.586915 10.361119 0.463169 1.400281 -0.682476 -0.002334 0.029214 -0.031484 0.043014 -0.010436 -0.011774 -0.006217 -0.004964 0.045423 -0.022838 0.002869 0.019969 1.678754 1.431517 -0.159525 0.093275 1.920144 -0.459484 1.684602 -0.000004 97 H 8.483815 1.748989 2.756066 0.120117 1.000811 0.71226017E+01 0.69354769E+02 1.771569 1.651672 -1.385273 2.225399 0.993413 3.893446 11.620996 0.437954 1.436283 -0.674544 0.016204 -0.006580 -0.040805 0.044396 -0.009733 -0.002532 -0.004820 -0.019928 0.042684 -0.021534 0.005502 0.016032 1.817544 1.701391 -0.095645 -0.450844 1.494108 0.172831 2.257133 -0.000004 98 H 7.968325 0.603911 7.268810 0.189924 0.893044 0.63791100E+01 0.60706488E+02 1.682917 1.587466 -1.571103 2.169138 0.991913 3.709626 11.112551 0.434461 1.481427 -0.666259 0.013708 -0.009230 0.003912 0.016983 -0.002796 0.002144 0.001720 -0.000967 0.002281 -0.004622 0.002153 0.002469 1.732213 1.819207 -0.494170 0.231184 1.860233 -0.295060 1.517199 0.000001 99 H 7.279554 1.957613 7.656170 0.181871 0.930940 0.70201961E+01 0.66487507E+02 1.573069 1.547679 -0.844707 2.507603 0.999595 3.110815 8.463408 0.505442 1.279510 -0.711269 0.004681 0.009374 0.010576 0.014887 0.000314 0.001087 0.005746 -0.003825 0.006455 -0.004462 -0.002916 0.007378 1.559148 1.282601 -0.043379 0.024138 1.754160 0.242088 1.640684 0.000003 100 H 6.421855 0.776457 7.082878 0.182834 0.842728 0.60832815E+01 0.55533379E+02 1.463839 1.433469 -0.719706 2.564315 0.999996 2.998505 7.983821 0.529688 1.266688 -0.713755 -0.010147 -0.007953 -0.001329 0.012960 0.005142 0.002801 0.001221 0.007096 0.000122 -0.006276 -0.001201 0.007477 1.462609 1.724080 0.254700 -0.035838 1.428424 -0.099937 1.235323 0.000004 101 C 2.591382 0.694890 17.030282 0.601769 23.867382 0.26114926E+03 0.54918032E+04 7.721950 5.801214 -0.309574 1.944409 0.998739 23.147409 66.295149 0.602698 0.483259 -1.009135 0.020034 -0.010745 -0.048042 0.053149 -0.012277 0.068083 -0.003902 0.121994 -0.000455 -0.062472 -0.043563 0.106035 8.926461 6.183772 -0.930402 -3.175332 10.436425 1.604870 10.159186 -0.000034 102 C 1.905223 1.604678 18.031608 -0.077812 41.647873 0.48752156E+03 0.11764045E+05 10.508079 7.428031 -0.145176 1.952366 0.998811 28.570838 82.510585 0.598079 0.424409 -1.061910 -0.034808 0.017732 0.001211 0.039083 0.037620 -0.015056 -0.018629 -0.029563 -0.061464 -0.031192 -0.026742 0.057934 12.735720 11.096494 -5.022224 -0.312672 10.427915 2.898942 16.682752 -0.000030 103 C 0.867277 2.395252 17.580334 -0.096272 31.491448 0.41805195E+03 0.97771170E+04 8.749443 6.882749 0.100349 2.007143 0.999751 29.222852 85.049613 0.616312 0.424937 -1.054008 0.011642 -0.006642 0.022524 0.026210 0.021499 0.002502 -0.001810 -0.015288 0.028713 -0.027858 0.009825 0.018033 9.734837 10.198318 -4.334023 0.152334 8.415606 1.053137 10.590587 0.000040 104 C 0.199404 3.212493 18.432526 -0.131369 31.969511 0.44261728E+03 0.10481776E+05 8.831484 7.076241 0.140761 2.025033 0.999297 29.349929 85.456066 0.609665 0.424237 -1.056323 0.018070 -0.010676 -0.004190 0.021402 -0.011219 0.001863 -0.007345 0.002395 -0.032512 -0.014241 -0.003866 0.018107 9.753294 9.753389 -3.836146 0.615067 8.105555 1.180437 11.400939 -0.000031 105 C 0.613886 3.236022 0.408665 0.068454 28.046786 0.36840279E+03 0.83511315E+04 8.178098 6.522319 0.157967 2.058111 0.999584 26.988179 77.427502 0.623981 0.433024 -1.048645 0.035245 -0.035044 -0.001750 0.049733 0.014036 -0.038393 0.005720 -0.007450 -0.052516 -0.049028 0.012487 0.036541 9.036268 8.667001 -3.363013 0.616899 7.649196 0.952821 10.792606 0.000040 106 C 2.250915 1.662716 0.015494 0.153781 36.554663 0.41921142E+03 0.98433965E+04 9.964899 7.117992 -0.541338 1.837752 0.998553 27.426704 80.846649 0.575547 0.453224 -1.033752 -0.028112 0.011879 0.024463 0.039113 0.028342 -0.009131 -0.037193 0.004827 -0.139849 -0.063210 0.001455 0.061755 11.802815 12.120776 -4.958313 2.099530 9.339265 0.040994 13.948403 0.000017 107 C 3.421216 0.916062 0.550051 0.159703 35.796047 0.41666081E+03 0.97706254E+04 9.844650 7.113629 -0.553879 1.834985 0.998173 27.333233 80.572853 0.573502 0.455440 -1.032278 0.027476 -0.003759 -0.018149 0.033142 -0.002493 0.029232 0.051077 -0.025531 -0.042979 -0.062586 0.002160 0.060426 11.558491 14.003166 -2.754096 0.284575 8.695357 -4.301920 11.976951 0.000033 108 C 3.362004 0.180389 1.729562 -0.094873 40.280784 0.49026798E+03 0.11829643E+05 10.215283 7.415999 -0.022142 1.989212 0.999168 28.621376 82.260583 0.603436 0.420666 -1.065821 0.028838 -0.008286 0.001475 0.030041 0.006837 0.012378 0.029871 -0.017087 0.026462 -0.024792 -0.015219 0.040011 12.084086 15.302344 -0.033312 -2.754466 8.136215 -4.582874 12.813698 -0.000042 109 C 4.560170 15.334634 2.217636 -0.074236 30.110789 0.41433464E+03 0.96411974E+04 8.438987 6.831482 0.161292 2.029026 0.999663 28.715761 82.593978 0.623184 0.422386 -1.058593 -0.001582 0.016170 -0.015285 0.022308 0.006877 0.017621 0.002196 -0.024954 0.043312 -0.028072 0.004893 0.023179 9.151742 12.508035 -1.003283 -0.803297 6.519153 -2.647630 8.428040 0.000055 110 C 5.720022 15.547963 1.524262 -0.140941 30.700013 0.42538252E+03 0.99654736E+04 8.548436 6.915234 0.187924 2.038839 0.999636 29.138657 84.145902 0.620187 0.421566 -1.058909 -0.022247 0.008378 0.008522 0.025254 -0.006700 0.005465 -0.004770 0.047061 0.000166 -0.025138 -0.000745 0.025883 9.270949 11.745865 -0.941300 -0.164112 6.433587 -2.935437 9.633396 -0.000042 111 C 5.694770 0.589794 0.369929 0.088427 25.294201 0.32580078E+03 0.71404494E+04 7.508679 6.055332 0.351279 2.129878 0.999854 25.806070 72.086196 0.662182 0.422041 -1.058581 -0.041682 0.012837 -0.004382 0.043833 0.012945 -0.012709 0.034566 0.009531 -0.041814 -0.046896 0.016902 0.029995 8.145771 10.155685 -0.824840 -0.366723 5.590222 -2.257931 8.691407 0.000051 112 C 2.069797 15.538552 2.438431 0.586578 22.448033 0.26150417E+03 0.54963617E+04 7.421250 5.805725 -0.131182 2.006703 0.999518 23.020969 65.729003 0.602898 0.483354 -1.009962 -0.028126 -0.010759 0.039782 0.049895 -0.038379 -0.004367 0.013803 -0.122145 -0.121792 -0.051846 -0.042139 0.093985 8.371560 10.390994 1.511348 -2.054904 4.965157 -1.570640 9.758528 -0.000035 113 C 4.931114 2.814068 12.608568 -0.049115 28.146984 0.38974328E+03 0.89548868E+04 8.053641 6.607469 0.126898 2.011266 0.999851 28.852204 83.175921 0.634603 0.420071 -1.057257 -0.009714 -0.053336 0.059781 0.080703 0.007971 0.016700 -0.024042 -0.030693 0.129897 -0.045023 -0.009765 0.054788 8.650654 7.024387 2.896880 1.877930 9.683154 0.952225 9.244421 0.000047 114 C 5.626851 3.949735 12.695724 -0.123868 27.914163 0.39512644E+03 0.90745238E+04 7.948179 6.610359 0.420325 2.115929 0.999479 28.603140 81.402502 0.643092 0.414711 -1.064776 0.022021 0.034581 0.052015 0.066230 0.027355 0.044527 -0.013117 -0.036953 0.138589 -0.073533 0.008665 0.064868 8.492393 6.538048 2.476871 0.972754 10.168927 -1.412709 8.770203 -0.000062 115 C 5.696512 2.936419 14.642208 0.349508 25.259472 0.32562698E+03 0.71595288E+04 7.834911 6.302070 0.097995 2.071937 0.999704 24.036360 67.987007 0.609066 0.457380 -1.034058 -0.003758 -0.023718 0.035338 0.042725 0.000901 0.010419 -0.013890 0.010058 0.124723 -0.029264 -0.016699 0.045963 8.595060 6.227626 2.230042 1.640780 8.368200 -1.275463 11.189354 0.000162 116 C 6.017822 2.635248 16.023146 -0.576264 29.021897 0.47414916E+03 0.11414667E+05 7.974410 7.011072 -0.108331 1.932938 0.995231 32.766462 95.953026 0.654444 0.388763 -1.080457 -0.012388 0.002995 -0.030165 0.032746 -0.009221 0.015869 -0.000203 -0.018675 0.086894 -0.031226 -0.002331 0.033557 8.345506 7.408915 0.577646 0.648453 7.527483 -0.712202 10.100120 -0.000033 117 C 6.939957 5.121479 14.514379 -0.097608 26.440415 0.39767922E+03 0.92306560E+04 7.972179 6.793790 -0.411678 1.887400 0.995668 28.392866 83.660411 0.606295 0.435234 -1.042560 0.032550 -0.076560 -0.037927 0.091430 0.041641 0.022527 0.028426 0.001792 -0.055996 -0.037401 -0.028864 0.066265 8.773564 11.518165 0.688305 0.316558 8.565737 0.740825 6.236789 -0.000018 118 C 8.421991 4.748152 14.617030 -0.185326 25.089619 0.40703497E+03 0.94439821E+04 7.519399 6.710661 0.107736 2.035400 0.999028 28.648757 82.700074 0.636286 0.414887 -1.061696 -0.036196 0.008225 -0.083273 0.091171 -0.025164 -0.021376 -0.001819 0.011319 -0.052742 -0.033973 -0.005188 0.039161 8.070883 11.860380 -0.281734 -1.199508 5.752784 0.276950 6.599483 0.000001 119 C 0.350046 4.442275 13.332931 -0.197415 24.417708 0.38708642E+03 0.88648212E+04 7.323221 6.495104 0.129543 2.038488 0.999478 28.555904 81.770055 0.654408 0.408691 -1.066202 0.034470 -0.004457 0.082619 0.089633 -0.031203 -0.021385 0.006425 0.026536 -0.048637 -0.030794 -0.018281 0.049074 7.811787 11.366174 -0.225859 -1.174081 5.803663 0.366933 6.265526 0.000003 120 C 1.789412 4.009342 13.400719 -0.088958 25.221004 0.37762287E+03 0.86125956E+04 7.614290 6.541261 -0.113372 1.982841 0.997527 27.641803 79.527093 0.632025 0.424909 -1.053691 -0.031682 0.071509 0.044766 0.090119 0.031362 0.029769 0.031172 -0.014948 0.037792 -0.039232 -0.023534 0.062767 8.259908 11.036981 0.698915 0.540808 7.752581 0.925225 5.990161 -0.000021 121 C 3.017183 4.807759 15.469222 -0.114711 28.648394 0.42652213E+03 0.10007131E+05 8.197621 6.943882 0.261380 2.068427 0.998179 29.039964 84.150725 0.615806 0.423930 -1.056555 -0.016344 -0.019939 -0.052701 0.058669 0.017403 0.043835 -0.016927 -0.018637 0.121327 -0.061263 -0.001141 0.062405 8.744423 6.874626 2.350910 1.158718 10.139003 -1.749913 9.219642 -0.000068 122 C 3.739043 5.919896 15.786857 -0.046917 29.818977 0.43655578E+03 0.10372118E+05 8.596310 7.149393 -0.148157 1.927587 0.998456 29.858857 89.012755 0.587149 0.439066 -1.040275 0.018096 0.058718 -0.058037 0.084520 0.008131 0.009520 -0.030349 -0.052537 0.066289 -0.042393 -0.006843 0.049235 9.221537 7.472271 2.342894 2.504431 9.240674 0.009897 10.951665 0.000050 123 C 3.134736 6.123814 13.675745 0.352173 25.687069 0.32881769E+03 0.72448955E+04 7.939847 6.335356 0.083343 2.067504 0.999751 24.059845 68.050331 0.607311 0.457739 -1.034203 0.004991 0.031923 -0.029486 0.043742 0.001842 0.007450 -0.023560 0.006578 0.094096 -0.029477 -0.011926 0.041402 8.772175 5.841186 1.978853 1.042809 9.070212 -2.881761 11.405126 0.000173 124 C 2.917046 6.621061 12.329669 -0.569832 28.600557 0.46185596E+03 0.11037649E+05 7.917721 6.934170 -0.061458 1.942670 0.996441 32.700379 95.176015 0.656481 0.390403 -1.080131 0.014347 -0.008600 0.031832 0.035959 -0.001292 -0.002109 0.003960 -0.007367 0.084860 -0.018092 -0.010702 0.028794 8.365971 6.710260 0.606915 -0.176115 8.223247 -2.666315 10.164407 -0.000034 125 C 1.762418 14.991110 7.346282 0.601769 23.867381 0.26114925E+03 0.54918028E+04 7.721950 5.801214 -0.309575 1.944409 0.998739 23.147408 66.295145 0.602698 0.483259 -1.009135 -0.020034 0.010745 -0.048042 0.053149 -0.012277 -0.068083 0.003902 0.121994 -0.000455 -0.062472 -0.043563 0.106035 8.926461 6.183772 -0.930401 3.175332 10.436424 -1.604870 10.159186 -0.000033 126 C 2.448577 14.081322 8.347608 -0.077812 41.647864 0.48752144E+03 0.11764041E+05 10.508077 7.428030 -0.145176 1.952366 0.998811 28.570834 82.510568 0.598079 0.424409 -1.061910 0.034808 -0.017732 0.001211 0.039083 0.037620 0.015056 0.018629 -0.029563 -0.061464 -0.031192 -0.026742 0.057934 12.735718 11.096492 -5.022222 0.312673 10.427913 -2.898942 16.682750 -0.000031 127 C 3.486523 13.290748 7.896334 -0.096272 31.491450 0.41805200E+03 0.97771182E+04 8.749443 6.882749 0.100350 2.007143 0.999751 29.222852 85.049606 0.616312 0.424937 -1.054008 -0.011642 0.006642 0.022524 0.026210 0.021499 -0.002502 0.001810 -0.015288 0.028713 -0.027858 0.009826 0.018033 9.734837 10.198318 -4.334023 -0.152333 8.415606 -1.053137 10.590586 0.000038 128 C 4.154396 12.473507 8.748526 -0.131369 31.969507 0.44261722E+03 0.10481774E+05 8.831483 7.076240 0.140761 2.025033 0.999297 29.349926 85.456052 0.609665 0.424237 -1.056323 -0.018070 0.010676 -0.004190 0.021402 -0.011219 -0.001863 0.007345 0.002396 -0.032511 -0.014241 -0.003866 0.018107 9.753293 9.753388 -3.836145 -0.615067 8.105554 -1.180436 11.400937 -0.000029 129 C 3.739914 12.449978 10.092665 0.068454 28.046788 0.36840282E+03 0.83511322E+04 8.178097 6.522318 0.157968 2.058111 0.999584 26.988180 77.427500 0.623981 0.433024 -1.048645 -0.035245 0.035044 -0.001750 0.049733 0.014036 0.038393 -0.005720 -0.007449 -0.052516 -0.049028 0.012487 0.036541 9.036267 8.667000 -3.363013 -0.616898 7.649196 -0.952821 10.792605 0.000039 130 C 2.102885 14.023284 9.699494 0.153781 36.554660 0.41921138E+03 0.98433953E+04 9.964898 7.117992 -0.541338 1.837752 0.998553 27.426702 80.846640 0.575547 0.453224 -1.033752 0.028112 -0.011879 0.024464 0.039113 0.028342 0.009131 0.037193 0.004827 -0.139849 -0.063209 0.001455 0.061755 11.802814 12.120775 -4.958313 -2.099530 9.339265 -0.040994 13.948403 0.000019 131 C 0.932584 14.769938 10.234051 0.159702 35.796049 0.41666083E+03 0.97706256E+04 9.844650 7.113629 -0.553879 1.834985 0.998173 27.333234 80.572853 0.573503 0.455440 -1.032278 -0.027475 0.003759 -0.018149 0.033142 -0.002493 -0.029232 -0.051077 -0.025531 -0.042979 -0.062586 0.002160 0.060426 11.558491 14.003166 -2.754096 -0.284575 8.695356 4.301920 11.976951 0.000027 132 C 0.991796 15.505611 11.413562 -0.094874 40.280799 0.49026818E+03 0.11829649E+05 10.215286 7.416000 -0.022143 1.989211 0.999168 28.621383 82.260610 0.603436 0.420666 -1.065821 -0.028837 0.008286 0.001475 0.030040 0.006837 -0.012378 -0.029871 -0.017087 0.026462 -0.024792 -0.015218 0.040011 12.084089 15.302348 -0.033312 2.754467 8.136217 4.582876 12.813702 -0.000039 133 C 8.501230 0.351366 11.901636 -0.074236 30.110788 0.41433460E+03 0.96411964E+04 8.438987 6.831482 0.161292 2.029026 0.999663 28.715761 82.593980 0.623184 0.422386 -1.058593 0.001582 -0.016170 -0.015285 0.022308 0.006877 -0.017621 -0.002196 -0.024954 0.043312 -0.028072 0.004893 0.023179 9.151742 12.508034 -1.003283 0.803297 6.519153 2.647630 8.428040 0.000053 134 C 7.341378 0.138037 11.208262 -0.140940 30.700002 0.42538233E+03 0.99654678E+04 8.548433 6.915232 0.187924 2.038840 0.999636 29.138649 84.145869 0.620187 0.421566 -1.058909 0.022247 -0.008378 0.008522 0.025254 -0.006700 -0.005465 0.004769 0.047060 0.000166 -0.025137 -0.000746 0.025883 9.270947 11.745862 -0.941300 0.164112 6.433585 2.935436 9.633393 -0.000040 135 C 7.366630 15.096206 10.053929 0.088426 25.294202 0.32580080E+03 0.71404500E+04 7.508680 6.055333 0.351279 2.129878 0.999854 25.806071 72.086202 0.662182 0.422041 -1.058581 0.041682 -0.012837 -0.004382 0.043833 0.012945 0.012709 -0.034566 0.009531 -0.041813 -0.046896 0.016902 0.029995 8.145772 10.155686 -0.824840 0.366723 5.590222 2.257931 8.691408 0.000047 136 C 2.284003 0.147448 12.122431 0.586578 22.448034 0.26150418E+03 0.54963620E+04 7.421250 5.805725 -0.131182 2.006703 0.999518 23.020970 65.729006 0.602898 0.483354 -1.009962 0.028126 0.010759 0.039782 0.049894 -0.038379 0.004367 -0.013803 -0.122145 -0.121792 -0.051846 -0.042139 0.093985 8.371560 10.390994 1.511348 2.054904 4.965157 1.570640 9.758528 -0.000033 137 C 8.130286 12.871932 2.924568 -0.049115 28.146992 0.38974345E+03 0.89548916E+04 8.053643 6.607470 0.126897 2.011265 0.999851 28.852211 83.175950 0.634602 0.420071 -1.057257 0.009714 0.053336 0.059781 0.080703 0.007971 -0.016700 0.024042 -0.030694 0.129897 -0.045023 -0.009765 0.054788 8.650656 7.024389 2.896880 -1.877930 9.683157 -0.952225 9.244423 0.000046 138 C 7.434549 11.736265 3.011724 -0.123867 27.914157 0.39512636E+03 0.90745214E+04 7.948179 6.610359 0.420325 2.115929 0.999479 28.603135 81.402489 0.643092 0.414711 -1.064776 -0.022021 -0.034581 0.052015 0.066230 0.027355 -0.044527 0.013118 -0.036953 0.138589 -0.073533 0.008665 0.064868 8.492392 6.538047 2.476871 -0.972754 10.168926 1.412709 8.770203 -0.000062 139 C 7.364888 12.749581 4.958208 0.349508 25.259469 0.32562694E+03 0.71595275E+04 7.834910 6.302069 0.097997 2.071937 0.999704 24.036358 67.986996 0.609067 0.457380 -1.034058 0.003758 0.023718 0.035338 0.042725 0.000901 -0.010419 0.013890 0.010058 0.124723 -0.029264 -0.016700 0.045963 8.595058 6.227625 2.230041 -1.640779 8.368199 1.275463 11.189352 0.000158 140 C 7.043578 13.050752 6.339146 -0.576264 29.021898 0.47414918E+03 0.11414668E+05 7.974409 7.011072 -0.108330 1.932938 0.995231 32.766461 95.953013 0.654444 0.388763 -1.080457 0.012388 -0.002994 -0.030165 0.032747 -0.009221 -0.015869 0.000203 -0.018675 0.086893 -0.031226 -0.002331 0.033557 8.345505 7.408915 0.577646 -0.648452 7.527482 0.712203 10.100119 -0.000032 141 C 6.121443 10.564521 4.830379 -0.097608 26.440413 0.39767920E+03 0.92306551E+04 7.972178 6.793789 -0.411677 1.887401 0.995668 28.392861 83.660387 0.606295 0.435234 -1.042560 -0.032550 0.076560 -0.037927 0.091430 0.041641 -0.022527 -0.028426 0.001792 -0.055996 -0.037402 -0.028864 0.066265 8.773563 11.518165 0.688305 -0.316558 8.565735 -0.740826 6.236789 -0.000017 142 C 4.639409 10.937848 4.933030 -0.185326 25.089615 0.40703488E+03 0.94439794E+04 7.519398 6.710660 0.107736 2.035400 0.999028 28.648752 82.700051 0.636286 0.414887 -1.061696 0.036196 -0.008225 -0.083273 0.091171 -0.025164 0.021376 0.001819 0.011319 -0.052742 -0.033973 -0.005188 0.039161 8.070881 11.860378 -0.281734 1.199508 5.752783 -0.276950 6.599482 0.000001 143 C 4.003754 11.243725 3.648931 -0.197415 24.417709 0.38708643E+03 0.88648217E+04 7.323222 6.495105 0.129543 2.038488 0.999478 28.555905 81.770064 0.654408 0.408692 -1.066202 -0.034470 0.004457 0.082619 0.089633 -0.031203 0.021385 -0.006425 0.026537 -0.048637 -0.030794 -0.018281 0.049075 7.811788 11.366176 -0.225859 1.174081 5.803663 -0.366933 6.265526 0.000003 144 C 2.564388 11.676658 3.716719 -0.088958 25.221000 0.37762281E+03 0.86125939E+04 7.614290 6.541261 -0.113373 1.982841 0.997527 27.641802 79.527097 0.632025 0.424909 -1.053691 0.031682 -0.071510 0.044766 0.090119 0.031362 -0.029769 -0.031172 -0.014948 0.037792 -0.039233 -0.023534 0.062767 8.259908 11.036982 0.698915 -0.540808 7.752581 -0.925225 5.990162 -0.000021 145 C 1.336617 10.878241 5.785222 -0.114711 28.648394 0.42652209E+03 0.10007130E+05 8.197621 6.943882 0.261380 2.068427 0.998179 29.039964 84.150726 0.615806 0.423930 -1.056555 0.016344 0.019939 -0.052701 0.058669 0.017403 -0.043835 0.016927 -0.018637 0.121327 -0.061263 -0.001141 0.062404 8.744424 6.874625 2.350910 -1.158717 10.139003 1.749914 9.219642 -0.000065 146 C 0.614757 9.766104 6.102857 -0.046917 29.818977 0.43655576E+03 0.10372117E+05 8.596310 7.149393 -0.148157 1.927587 0.998456 29.858857 89.012757 0.587149 0.439066 -1.040275 -0.018096 -0.058718 -0.058037 0.084520 0.008131 -0.009520 0.030349 -0.052537 0.066289 -0.042393 -0.006843 0.049235 9.221537 7.472271 2.342894 -2.504431 9.240674 -0.009897 10.951665 0.000047 147 C 1.219064 9.562186 3.991745 0.352173 25.687099 0.32881807E+03 0.72449058E+04 7.939851 6.335360 0.083343 2.067503 0.999751 24.059864 68.050392 0.607311 0.457739 -1.034203 -0.004991 -0.031923 -0.029486 0.043742 0.001842 -0.007450 0.023560 0.006578 0.094096 -0.029477 -0.011926 0.041402 8.772180 5.841189 1.978855 -1.042809 9.070217 2.881762 11.405133 0.000174 148 C 1.436754 9.064939 2.645669 -0.569832 28.600748 0.46185968E+03 0.11037748E+05 7.917704 6.934154 -0.061459 1.942670 0.996441 32.700540 95.176185 0.656489 0.390399 -1.080136 -0.014347 0.008600 0.031832 0.035959 -0.001292 0.002109 -0.003960 -0.007366 0.084859 -0.018092 -0.010702 0.028794 8.365953 6.710248 0.606915 0.176116 8.223231 2.666304 10.164380 -0.000034 149 C 6.116218 8.537890 12.021718 0.601768 23.867388 0.26114934E+03 0.54918050E+04 7.721951 5.801214 -0.309575 1.944409 0.998739 23.147413 66.295160 0.602698 0.483259 -1.009135 -0.020034 -0.010745 0.048042 0.053149 0.012277 0.068083 0.003902 0.121994 -0.000455 -0.062472 -0.043563 0.106035 8.926462 6.183773 0.930401 -3.175333 10.436426 -1.604870 10.159188 -0.000033 150 C 6.802377 9.447678 11.020392 -0.077812 41.647860 0.48752138E+03 0.11764039E+05 10.508077 7.428030 -0.145175 1.952366 0.998811 28.570832 82.510560 0.598079 0.424409 -1.061910 0.034808 0.017732 -0.001211 0.039083 -0.037620 -0.015056 0.018629 -0.029563 -0.061464 -0.031192 -0.026742 0.057934 12.735717 11.096491 5.022222 -0.312673 10.427912 -2.898942 16.682749 -0.000036 151 C 7.840323 10.238252 11.471666 -0.096272 31.491445 0.41805191E+03 0.97771156E+04 8.749442 6.882748 0.100350 2.007143 0.999751 29.222849 85.049593 0.616312 0.424937 -1.054008 -0.011642 -0.006642 -0.022524 0.026210 -0.021500 0.002502 0.001810 -0.015288 0.028713 -0.027858 0.009825 0.018033 9.734835 10.198316 4.334023 0.152333 8.415604 -1.053137 10.590585 0.000046 152 C 8.508196 11.055493 10.619474 -0.131369 31.969500 0.44261709E+03 0.10481770E+05 8.831482 7.076239 0.140762 2.025033 0.999297 29.349921 85.456032 0.609665 0.424237 -1.056323 -0.018070 -0.010676 0.004190 0.021402 0.011219 0.001863 0.007345 0.002395 -0.032512 -0.014241 -0.003866 0.018107 9.753291 9.753386 3.836144 0.615067 8.105552 -1.180436 11.400936 -0.000037 153 C 8.093714 11.079022 9.275335 0.068453 28.046794 0.36840292E+03 0.83511350E+04 8.178098 6.522319 0.157968 2.058111 0.999584 26.988184 77.427513 0.623981 0.433024 -1.048645 -0.035245 -0.035044 0.001750 0.049733 -0.014036 -0.038393 -0.005720 -0.007449 -0.052516 -0.049028 0.012487 0.036541 9.036268 8.667001 3.363013 0.616899 7.649197 -0.952821 10.792607 0.000047 154 C 6.456685 9.505716 9.668506 0.153781 36.554659 0.41921136E+03 0.98433946E+04 9.964898 7.117992 -0.541337 1.837752 0.998553 27.426701 80.846635 0.575547 0.453224 -1.033752 0.028112 0.011879 -0.024464 0.039113 -0.028342 -0.009131 0.037193 0.004827 -0.139849 -0.063210 0.001455 0.061755 11.802813 12.120774 4.958312 2.099529 9.339264 -0.040994 13.948402 0.000022 155 C 5.286384 8.759062 9.133949 0.159702 35.796049 0.41666084E+03 0.97706261E+04 9.844650 7.113629 -0.553879 1.834985 0.998173 27.333234 80.572853 0.573503 0.455440 -1.032278 -0.027475 -0.003759 0.018149 0.033142 0.002493 0.029232 -0.051077 -0.025531 -0.042979 -0.062586 0.002160 0.060426 11.558491 14.003166 2.754096 0.284575 8.695356 4.301920 11.976951 0.000025 156 C 5.345596 8.023389 7.954438 -0.094874 40.280790 0.49026807E+03 0.11829646E+05 10.215284 7.415999 -0.022143 1.989212 0.999168 28.621379 82.260592 0.603436 0.420666 -1.065821 -0.028838 -0.008286 -0.001475 0.030041 -0.006837 0.012378 -0.029871 -0.017087 0.026462 -0.024792 -0.015219 0.040011 12.084087 15.302345 0.033312 -2.754467 8.136216 4.582875 12.813700 -0.000036 157 C 4.147430 7.491634 7.466364 -0.074236 30.110784 0.41433455E+03 0.96411948E+04 8.438986 6.831481 0.161293 2.029026 0.999663 28.715758 82.593962 0.623184 0.422386 -1.058593 0.001582 0.016170 0.015286 0.022308 -0.006877 0.017621 -0.002195 -0.024954 0.043312 -0.028072 0.004893 0.023179 9.151741 12.508032 1.003283 -0.803297 6.519152 2.647629 8.428038 0.000049 158 C 2.987578 7.704963 8.159738 -0.140940 30.700002 0.42538233E+03 0.99654676E+04 8.548432 6.915232 0.187924 2.038839 0.999636 29.138650 84.145866 0.620187 0.421566 -1.058909 0.022247 0.008378 -0.008522 0.025254 0.006700 0.005465 0.004770 0.047061 0.000166 -0.025137 -0.000746 0.025883 9.270946 11.745860 0.941300 -0.164112 6.433584 2.935435 9.633392 -0.000036 159 C 3.012830 8.432794 9.314071 0.088426 25.294201 0.32580078E+03 0.71404495E+04 7.508679 6.055332 0.351279 2.129878 0.999854 25.806069 72.086190 0.662182 0.422041 -1.058581 0.041682 0.012837 0.004382 0.043833 -0.012945 -0.012709 -0.034566 0.009531 -0.041813 -0.046896 0.016902 0.029995 8.145771 10.155684 0.824840 -0.366723 5.590222 2.257930 8.691407 0.000044 160 C 6.637803 7.695552 7.245569 0.586579 22.448031 0.26150414E+03 0.54963610E+04 7.421249 5.805724 -0.131182 2.006703 0.999518 23.020968 65.728999 0.602898 0.483354 -1.009962 0.028126 -0.010759 -0.039782 0.049894 0.038379 -0.004367 -0.013803 -0.122145 -0.121792 -0.051846 -0.042139 0.093985 8.371559 10.390993 -1.511348 -2.054904 4.965156 1.570640 9.758527 -0.000033 161 C 3.776486 10.657068 16.443432 -0.049115 28.146996 0.38974352E+03 0.89548937E+04 8.053644 6.607471 0.126896 2.011265 0.999851 28.852214 83.175963 0.634602 0.420071 -1.057257 0.009714 -0.053336 -0.059781 0.080703 -0.007971 0.016700 0.024042 -0.030693 0.129897 -0.045023 -0.009765 0.054788 8.650657 7.024390 -2.896881 1.877930 9.683159 -0.952225 9.244423 0.000046 162 C 3.080749 11.792735 16.356276 -0.123867 27.914165 0.39512648E+03 0.90745252E+04 7.948180 6.610360 0.420324 2.115928 0.999479 28.603142 81.402518 0.643092 0.414711 -1.064776 -0.022021 0.034581 -0.052015 0.066230 -0.027355 0.044527 0.013117 -0.036954 0.138589 -0.073533 0.008665 0.064868 8.492394 6.538048 -2.476872 0.972754 10.168929 1.412710 8.770205 -0.000061 163 C 3.011088 10.779419 14.409792 0.349508 25.259467 0.32562690E+03 0.71595266E+04 7.834911 6.302070 0.097996 2.071937 0.999704 24.036357 67.986999 0.609066 0.457380 -1.034058 0.003758 -0.023718 -0.035338 0.042725 -0.000901 0.010419 0.013890 0.010058 0.124723 -0.029264 -0.016700 0.045963 8.595059 6.227625 -2.230041 1.640780 8.368199 1.275464 11.189353 0.000162 164 C 2.689778 10.478248 13.028854 -0.576264 29.021895 0.47414913E+03 0.11414666E+05 7.974410 7.011072 -0.108330 1.932938 0.995231 32.766460 95.953016 0.654444 0.388763 -1.080457 0.012388 0.002995 0.030165 0.032747 0.009221 0.015869 0.000203 -0.018675 0.086894 -0.031226 -0.002331 0.033557 8.345505 7.408915 -0.577646 0.648453 7.527483 0.712203 10.100119 -0.000032 165 C 1.767643 12.964479 14.537621 -0.097608 26.440415 0.39767924E+03 0.92306562E+04 7.972179 6.793790 -0.411677 1.887400 0.995668 28.392864 83.660401 0.606295 0.435234 -1.042560 -0.032550 -0.076560 0.037927 0.091430 -0.041641 0.022527 -0.028426 0.001792 -0.055996 -0.037401 -0.028864 0.066265 8.773564 11.518165 -0.688305 0.316558 8.565737 -0.740826 6.236789 -0.000018 166 C 0.285609 12.591152 14.434970 -0.185326 25.089613 0.40703484E+03 0.94439781E+04 7.519397 6.710659 0.107736 2.035400 0.999028 28.648751 82.700048 0.636286 0.414887 -1.061696 0.036196 0.008225 0.083273 0.091171 0.025164 -0.021376 0.001819 0.011319 -0.052742 -0.033973 -0.005188 0.039161 8.070881 11.860377 0.281734 -1.199508 5.752783 -0.276949 6.599482 0.000001 167 C 8.357554 12.285275 15.719069 -0.197415 24.417709 0.38708645E+03 0.88648222E+04 7.323222 6.495105 0.129543 2.038488 0.999478 28.555903 81.770058 0.654408 0.408692 -1.066201 -0.034470 -0.004457 -0.082619 0.089633 0.031203 -0.021385 -0.006425 0.026536 -0.048637 -0.030794 -0.018281 0.049074 7.811789 11.366176 0.225859 -1.174082 5.803663 -0.366933 6.265526 0.000002 168 C 6.918188 11.852342 15.651281 -0.088957 25.220995 0.37762272E+03 0.86125914E+04 7.614289 6.541259 -0.113372 1.982841 0.997527 27.641799 79.527083 0.632025 0.424909 -1.053691 0.031682 0.071510 -0.044766 0.090119 -0.031362 0.029769 -0.031172 -0.014948 0.037791 -0.039232 -0.023534 0.062767 8.259906 11.036979 -0.698914 0.540808 7.752580 -0.925224 5.990161 -0.000019 169 C 5.690417 12.650759 13.582778 -0.114711 28.648388 0.42652200E+03 0.10007128E+05 8.197620 6.943881 0.261380 2.068427 0.998179 29.039959 84.150707 0.615806 0.423930 -1.056555 0.016344 -0.019939 0.052701 0.058669 -0.017403 0.043835 0.016927 -0.018637 0.121326 -0.061263 -0.001141 0.062404 8.744422 6.874624 -2.350909 1.158717 10.139001 1.749913 9.219641 -0.000065 170 C 4.968557 13.762896 13.265143 -0.046917 29.818969 0.43655560E+03 0.10372112E+05 8.596308 7.149392 -0.148156 1.927587 0.998456 29.858848 89.012714 0.587149 0.439066 -1.040275 -0.018096 0.058718 0.058037 0.084520 -0.008131 0.009520 0.030349 -0.052537 0.066289 -0.042392 -0.006843 0.049235 9.221534 7.472269 -2.342893 2.504430 9.240671 -0.009897 10.951662 0.000046 171 C 5.572864 13.966814 15.376255 0.352173 25.687097 0.32881805E+03 0.72449053E+04 7.939851 6.335359 0.083343 2.067504 0.999751 24.059862 68.050382 0.607311 0.457739 -1.034203 -0.004991 0.031923 0.029486 0.043742 -0.001842 0.007449 0.023560 0.006578 0.094096 -0.029477 -0.011926 0.041402 8.772179 5.841189 -1.978855 1.042809 9.070216 2.881761 11.405132 0.000174 172 C 5.790554 14.464061 16.722331 -0.569832 28.600749 0.46185969E+03 0.11037749E+05 7.917704 6.934155 -0.061460 1.942670 0.996441 32.700541 95.176190 0.656489 0.390399 -1.080136 -0.014347 -0.008600 -0.031832 0.035959 0.001292 -0.002109 -0.003959 -0.007367 0.084859 -0.018092 -0.010702 0.028793 8.365953 6.710248 -0.606915 -0.176116 8.223231 2.666304 10.164380 -0.000034 173 C 6.945182 7.148110 2.337718 0.601769 23.867380 0.26114924E+03 0.54918025E+04 7.721949 5.801213 -0.309575 1.944409 0.998739 23.147408 66.295144 0.602698 0.483259 -1.009135 0.020034 0.010745 0.048042 0.053149 0.012277 -0.068083 -0.003902 0.121994 -0.000455 -0.062472 -0.043563 0.106035 8.926461 6.183772 0.930402 3.175332 10.436424 1.604870 10.159186 -0.000036 174 C 6.259023 6.238322 1.336392 -0.077812 41.647870 0.48752150E+03 0.11764043E+05 10.508079 7.428031 -0.145176 1.952366 0.998811 28.570836 82.510579 0.598079 0.424409 -1.061910 -0.034808 -0.017732 -0.001211 0.039083 -0.037620 0.015056 -0.018629 -0.029563 -0.061464 -0.031192 -0.026742 0.057934 12.735720 11.096494 5.022223 0.312673 10.427915 2.898943 16.682752 -0.000029 175 C 5.221077 5.447748 1.787666 -0.096272 31.491447 0.41805193E+03 0.97771166E+04 8.749443 6.882748 0.100349 2.007143 0.999751 29.222851 85.049608 0.616312 0.424937 -1.054008 0.011642 0.006642 -0.022524 0.026210 -0.021500 -0.002502 -0.001810 -0.015288 0.028713 -0.027858 0.009826 0.018033 9.734837 10.198318 4.334023 -0.152333 8.415606 1.053137 10.590587 0.000038 176 C 4.553204 4.630507 0.935474 -0.131369 31.969519 0.44261742E+03 0.10481780E+05 8.831486 7.076242 0.140760 2.025033 0.999297 29.349934 85.456085 0.609665 0.424237 -1.056323 0.018070 0.010676 0.004190 0.021402 0.011219 -0.001863 -0.007345 0.002395 -0.032512 -0.014241 -0.003866 0.018107 9.753296 9.753390 3.836146 -0.615067 8.105556 1.180437 11.400941 -0.000029 177 C 4.967686 4.606978 18.959335 0.068454 28.046793 0.36840288E+03 0.83511341E+04 8.178099 6.522319 0.157967 2.058110 0.999584 26.988185 77.427523 0.623981 0.433024 -1.048645 0.035245 0.035044 0.001750 0.049733 -0.014036 0.038393 0.005720 -0.007450 -0.052516 -0.049028 0.012487 0.036541 9.036269 8.667001 3.363014 -0.616899 7.649197 0.952821 10.792608 0.000038 178 C 6.604715 6.180284 -0.015494 0.153781 36.554660 0.41921138E+03 0.98433951E+04 9.964898 7.117992 -0.541337 1.837752 0.998553 27.426702 80.846638 0.575547 0.453224 -1.033752 -0.028112 -0.011879 -0.024464 0.039113 -0.028342 0.009131 -0.037193 0.004827 -0.139849 -0.063209 0.001455 0.061755 11.802814 12.120774 4.958313 -2.099530 9.339265 0.040994 13.948402 0.000017 179 C 7.775016 6.926938 18.817949 0.159703 35.796044 0.41666078E+03 0.97706240E+04 9.844649 7.113628 -0.553878 1.834985 0.998173 27.333231 80.572838 0.573503 0.455440 -1.032278 0.027475 0.003759 0.018149 0.033142 0.002493 -0.029232 0.051077 -0.025531 -0.042979 -0.062586 0.002160 0.060426 11.558489 14.003164 2.754096 -0.284575 8.695355 -4.301920 11.976949 0.000022 180 C 7.715804 7.662611 17.638438 -0.094874 40.280803 0.49026824E+03 0.11829651E+05 10.215287 7.416001 -0.022144 1.989211 0.999168 28.621385 82.260620 0.603435 0.420666 -1.065821 0.028838 0.008286 -0.001475 0.030041 -0.006837 -0.012378 0.029871 -0.017087 0.026462 -0.024792 -0.015219 0.040011 12.084091 15.302350 0.033313 2.754467 8.136218 -4.582876 12.813703 -0.000032 181 C 0.206370 8.194366 17.150364 -0.074236 30.110796 0.41433475E+03 0.96412009E+04 8.438989 6.831483 0.161291 2.029025 0.999663 28.715767 82.594004 0.623184 0.422386 -1.058593 -0.001582 -0.016170 0.015285 0.022308 -0.006877 -0.017621 0.002196 -0.024954 0.043312 -0.028072 0.004893 0.023179 9.151744 12.508037 1.003283 0.803297 6.519154 -2.647630 8.428041 0.000046 182 C 1.366222 7.981037 17.843738 -0.140940 30.700005 0.42538238E+03 0.99654695E+04 8.548434 6.915233 0.187923 2.038839 0.999636 29.138651 84.145881 0.620187 0.421566 -1.058909 -0.022247 -0.008378 -0.008522 0.025254 0.006700 -0.005465 -0.004769 0.047061 0.000166 -0.025137 -0.000746 0.025883 9.270948 11.745863 0.941300 0.164112 6.433586 -2.935436 9.633394 -0.000034 183 C 1.340970 7.253206 18.998071 0.088426 25.294202 0.32580081E+03 0.71404502E+04 7.508680 6.055333 0.351279 2.129878 0.999854 25.806071 72.086201 0.662182 0.422041 -1.058581 -0.041681 -0.012837 0.004382 0.043833 -0.012945 0.012709 0.034566 0.009531 -0.041814 -0.046896 0.016902 0.029995 8.145772 10.155685 0.824840 0.366723 5.590222 -2.257931 8.691408 0.000041 184 C 6.423597 7.990448 16.929569 0.586579 22.448030 0.26150413E+03 0.54963607E+04 7.421249 5.805724 -0.131182 2.006703 0.999518 23.020967 65.728996 0.602898 0.483354 -1.009962 -0.028126 0.010759 -0.039782 0.049894 0.038379 0.004367 0.013803 -0.122145 -0.121792 -0.051846 -0.042139 0.093985 8.371559 10.390994 -1.511348 2.054904 4.965156 -1.570640 9.758526 -0.000034 185 C 0.577314 5.028932 6.759432 -0.049115 28.146984 0.38974331E+03 0.89548876E+04 8.053641 6.607469 0.126897 2.011265 0.999851 28.852205 83.175922 0.634602 0.420071 -1.057257 -0.009714 0.053336 -0.059781 0.080703 -0.007971 -0.016700 -0.024042 -0.030693 0.129897 -0.045023 -0.009765 0.054788 8.650654 7.024387 -2.896879 -1.877930 9.683154 0.952225 9.244421 0.000045 186 C 1.273051 3.893265 6.672276 -0.123867 27.914143 0.39512612E+03 0.90745141E+04 7.948175 6.610356 0.420327 2.115929 0.999479 28.603124 81.402437 0.643092 0.414711 -1.064776 0.022021 -0.034581 -0.052015 0.066230 -0.027355 -0.044527 -0.013117 -0.036953 0.138589 -0.073533 0.008665 0.064868 8.492388 6.538044 -2.476870 -0.972753 10.168921 -1.412708 8.770199 -0.000061 187 C 1.342712 4.906581 4.725792 0.349508 25.259463 0.32562684E+03 0.71595248E+04 7.834910 6.302069 0.097995 2.071937 0.999704 24.036355 67.986990 0.609067 0.457380 -1.034058 -0.003758 0.023718 -0.035338 0.042725 -0.000901 -0.010419 -0.013890 0.010058 0.124723 -0.029264 -0.016699 0.045963 8.595058 6.227624 -2.230041 -1.640780 8.368199 -1.275463 11.189351 0.000162 188 C 1.664022 5.207752 3.344854 -0.576264 29.021900 0.47414925E+03 0.11414670E+05 7.974411 7.011073 -0.108331 1.932938 0.995231 32.766464 95.953032 0.654444 0.388763 -1.080457 -0.012388 -0.002995 0.030165 0.032747 0.009221 -0.015869 -0.000203 -0.018675 0.086893 -0.031226 -0.002331 0.033557 8.345507 7.408916 -0.577646 -0.648453 7.527483 -0.712203 10.100121 -0.000032 189 C 2.586157 2.721521 4.853621 -0.097608 26.440414 0.39767920E+03 0.92306552E+04 7.972178 6.793789 -0.411677 1.887400 0.995668 28.392864 83.660399 0.606295 0.435234 -1.042560 0.032550 0.076560 0.037927 0.091430 -0.041641 -0.022527 0.028426 0.001792 -0.055995 -0.037401 -0.028864 0.066265 8.773563 11.518164 -0.688305 -0.316558 8.565736 0.740825 6.236789 -0.000018 190 C 4.068191 3.094848 4.750970 -0.185326 25.089616 0.40703491E+03 0.94439799E+04 7.519398 6.710660 0.107737 2.035401 0.999028 28.648752 82.700049 0.636286 0.414887 -1.061696 -0.036195 -0.008225 0.083273 0.091171 0.025164 0.021376 -0.001819 0.011320 -0.052742 -0.033972 -0.005189 0.039161 8.070881 11.860378 0.281734 1.199507 5.752784 0.276949 6.599482 0.000001 191 C 4.703846 3.400725 6.035069 -0.197415 24.417701 0.38708629E+03 0.88648172E+04 7.323219 6.495103 0.129546 2.038489 0.999478 28.555892 81.770001 0.654408 0.408691 -1.066202 0.034470 0.004457 -0.082619 0.089632 0.031203 0.021385 0.006425 0.026537 -0.048636 -0.030794 -0.018281 0.049074 7.811785 11.366170 0.225859 1.174081 5.803661 0.366932 6.265524 0.000003 192 C 6.143212 3.833658 5.967281 -0.088958 25.220996 0.37762274E+03 0.86125917E+04 7.614288 6.541260 -0.113371 1.982842 0.997527 27.641796 79.527065 0.632025 0.424909 -1.053691 -0.031682 -0.071509 -0.044766 0.090119 -0.031362 -0.029769 0.031172 -0.014948 0.037792 -0.039232 -0.023534 0.062767 8.259906 11.036977 -0.698914 -0.540808 7.752580 0.925224 5.990160 -0.000021 193 C 7.370983 3.035241 3.898778 -0.114710 28.648390 0.42652205E+03 0.10007129E+05 8.197620 6.943882 0.261380 2.068427 0.998179 29.039961 84.150715 0.615806 0.423930 -1.056555 -0.016344 0.019939 0.052701 0.058669 -0.017403 -0.043835 -0.016927 -0.018637 0.121326 -0.061263 -0.001141 0.062404 8.744423 6.874625 -2.350909 -1.158717 10.139002 -1.749914 9.219641 -0.000065 194 C 8.092843 1.923104 3.581143 -0.046918 29.818979 0.43655583E+03 0.10372119E+05 8.596310 7.149394 -0.148157 1.927587 0.998456 29.858857 89.012751 0.587149 0.439066 -1.040275 0.018096 -0.058718 0.058037 0.084520 -0.008131 -0.009520 -0.030349 -0.052537 0.066289 -0.042393 -0.006843 0.049235 9.221537 7.472271 -2.342894 -2.504430 9.240674 0.009896 10.951665 0.000048 195 C 7.488536 1.719186 5.692255 0.352172 25.687079 0.32881783E+03 0.72448991E+04 7.939848 6.335357 0.083343 2.067503 0.999751 24.059851 68.050349 0.607311 0.457739 -1.034203 0.004991 -0.031923 0.029486 0.043742 -0.001842 -0.007450 -0.023560 0.006578 0.094097 -0.029477 -0.011926 0.041402 8.772177 5.841187 -1.978853 -1.042809 9.070213 -2.881762 11.405130 0.000167 196 C 7.270846 1.221939 7.038331 -0.569832 28.600565 0.46185610E+03 0.11037654E+05 7.917724 6.934172 -0.061460 1.942670 0.996441 32.700391 95.176069 0.656481 0.390404 -1.080131 0.014347 0.008600 -0.031832 0.035959 0.001292 0.002109 0.003960 -0.007367 0.084859 -0.018092 -0.010702 0.028793 8.365974 6.710262 -0.606915 0.176115 8.223250 -2.666316 10.164411 -0.000033 197 N 4.952012 2.178785 13.811321 -0.361255 38.465729 0.58431067E+03 0.14532437E+05 9.417393 7.740802 0.043627 2.018005 0.997711 29.666153 82.809747 0.640401 0.384556 -1.104905 0.019644 0.090395 -0.078337 0.121218 -0.002196 0.023008 -0.002343 0.050315 0.223166 -0.062462 -0.017726 0.080187 10.518375 8.558509 4.536811 0.960832 13.324419 -0.482937 9.672198 -0.000080 198 N 6.118831 4.029733 13.962391 0.010856 27.322044 0.35877268E+03 0.78800655E+04 7.513275 6.032399 0.166036 2.144626 0.998539 23.330944 60.729868 0.733168 0.380358 -1.110567 0.025643 0.063191 -0.032862 0.075701 0.065755 0.053328 0.001862 -0.041728 0.058612 -0.095101 0.014240 0.080861 8.430828 8.133549 4.239554 1.816644 9.890673 0.586373 7.268263 -0.000021 199 N 3.794772 6.748117 14.677070 -0.364716 37.583431 0.58916195E+03 0.14673570E+05 9.218749 7.737363 0.087886 2.030232 0.997844 29.734041 82.875476 0.645390 0.381050 -1.108180 -0.027845 -0.098596 0.061924 0.119713 -0.009753 0.028317 -0.023368 0.023134 0.206589 -0.051367 -0.030481 0.081848 10.058967 7.689595 3.584917 1.310615 12.863470 -0.906837 9.623837 -0.000085 200 N 2.634920 4.956776 14.169629 0.001533 27.551999 0.36841477E+03 0.81412586E+04 7.538857 6.099467 0.097226 2.117628 0.998343 23.535044 61.339224 0.731937 0.378685 -1.112394 -0.036853 -0.057893 0.027213 0.073826 0.065903 0.062888 -0.000295 -0.034802 0.079036 -0.102279 0.015420 0.086858 8.399564 8.142700 3.782329 2.106242 9.251412 0.263462 7.804579 -0.000021 201 N 4.574102 1.113706 19.245982 -0.301732 38.632748 0.56783980E+03 0.13989354E+05 9.426737 7.680938 0.507044 2.163301 0.998881 29.022982 80.015597 0.638117 0.389613 -1.103886 0.005785 -0.132544 0.184465 0.227219 -0.012906 0.001042 0.124919 0.118184 -0.313950 -0.190092 0.075639 0.114454 10.335816 15.480666 -1.903809 -0.471228 6.795372 -1.253660 8.731410 -0.000035 202 N 1.630933 2.486231 0.875434 -0.301732 39.830361 0.57346154E+03 0.14159255E+05 9.616072 7.697064 0.513805 2.162941 0.999328 29.119685 80.307712 0.640314 0.387416 -1.105717 -0.083866 -0.022316 -0.216016 0.232797 -0.018815 -0.086897 -0.026341 -0.019723 -0.513879 -0.201984 0.090793 0.111191 10.724332 11.843462 -5.169809 -0.685517 10.546147 1.189898 9.783386 -0.000022 203 N 8.109388 13.507215 4.127321 -0.361255 38.465733 0.58431076E+03 0.14532440E+05 9.417393 7.740802 0.043627 2.018005 0.997711 29.666156 82.809757 0.640401 0.384556 -1.104905 -0.019644 -0.090395 -0.078337 0.121218 -0.002196 -0.023008 0.002343 0.050315 0.223166 -0.062462 -0.017726 0.080187 10.518375 8.558509 4.536811 -0.960831 13.324419 0.482938 9.672198 -0.000078 204 N 6.942569 11.656267 4.278391 0.010855 27.322041 0.35877265E+03 0.78800646E+04 7.513275 6.032399 0.166036 2.144626 0.998539 23.330943 60.729863 0.733168 0.380358 -1.110567 -0.025643 -0.063191 -0.032862 0.075701 0.065755 -0.053328 -0.001862 -0.041728 0.058612 -0.095101 0.014240 0.080861 8.430828 8.133549 4.239554 -1.816643 9.890672 -0.586373 7.268262 -0.000020 205 N 0.559028 8.937883 4.993070 -0.364717 37.583466 0.58916257E+03 0.14673590E+05 9.218755 7.737367 0.087886 2.030231 0.997844 29.734060 82.875547 0.645390 0.381050 -1.108180 0.027845 0.098597 0.061924 0.119713 -0.009753 -0.028317 0.023368 0.023134 0.206588 -0.051367 -0.030481 0.081848 10.058974 7.689600 3.584921 -1.310615 12.863480 0.906838 9.623841 -0.000084 206 N 1.718880 10.729224 4.485629 0.001533 27.551999 0.36841474E+03 0.81412580E+04 7.538857 6.099467 0.097226 2.117629 0.998343 23.535044 61.339226 0.731937 0.378685 -1.112394 0.036853 0.057893 0.027213 0.073826 0.065903 -0.062888 0.000295 -0.034802 0.079036 -0.102279 0.015420 0.086858 8.399564 8.142700 3.782329 -2.106242 9.251413 -0.263463 7.804579 -0.000023 207 N 8.487298 14.572294 9.561982 -0.301732 38.632752 0.56783987E+03 0.13989357E+05 9.426738 7.680939 0.507043 2.163300 0.998881 29.022984 80.015605 0.638117 0.389613 -1.103886 -0.005785 0.132544 0.184465 0.227219 -0.012906 -0.001042 -0.124919 0.118184 -0.313951 -0.190092 0.075639 0.114454 10.335817 15.480667 -1.903809 0.471229 6.795372 1.253660 8.731411 -0.000030 208 N 2.722867 13.199769 10.559434 -0.301732 39.830361 0.57346155E+03 0.14159255E+05 9.616072 7.697064 0.513805 2.162940 0.999328 29.119685 80.307713 0.640314 0.387416 -1.105717 0.083866 0.022316 -0.216016 0.232797 -0.018815 0.086897 0.026341 -0.019723 -0.513879 -0.201984 0.090793 0.111191 10.724332 11.843463 -5.169809 0.685517 10.546148 -1.189899 9.783386 -0.000022 209 N 3.755588 10.021785 15.240679 -0.361255 38.465739 0.58431087E+03 0.14532443E+05 9.417394 7.740803 0.043626 2.018005 0.997711 29.666159 82.809770 0.640401 0.384556 -1.104905 -0.019643 0.090395 0.078337 0.121218 0.002196 0.023008 0.002343 0.050315 0.223166 -0.062462 -0.017726 0.080187 10.518377 8.558510 -4.536813 0.960831 13.324422 0.482938 9.672199 -0.000080 210 N 2.588769 11.872733 15.089609 0.010855 27.322045 0.35877269E+03 0.78800660E+04 7.513276 6.032399 0.166035 2.144626 0.998539 23.330945 60.729874 0.733168 0.380358 -1.110567 -0.025643 0.063191 0.032862 0.075701 -0.065755 0.053328 -0.001862 -0.041728 0.058612 -0.095101 0.014240 0.080861 8.430829 8.133550 -4.239555 1.816644 9.890674 -0.586373 7.268264 -0.000021 211 N 4.912828 14.591117 14.374930 -0.364716 37.583419 0.58916170E+03 0.14673562E+05 9.218747 7.737361 0.087887 2.030232 0.997844 29.734035 82.875450 0.645391 0.381050 -1.108180 0.027845 -0.098596 -0.061924 0.119713 0.009753 0.028317 0.023368 0.023134 0.206589 -0.051367 -0.030481 0.081848 10.058964 7.689593 -3.584916 1.310614 12.863466 0.906836 9.623833 -0.000084 212 N 6.072680 12.799776 14.882371 0.001533 27.552002 0.36841481E+03 0.81412600E+04 7.538858 6.099467 0.097226 2.117628 0.998343 23.535046 61.339233 0.731937 0.378685 -1.112394 0.036853 -0.057893 -0.027213 0.073826 -0.065903 0.062888 0.000295 -0.034802 0.079036 -0.102279 0.015420 0.086858 8.399565 8.142701 -3.782329 2.106242 9.251413 -0.263462 7.804580 -0.000023 213 N 4.133498 8.956706 9.806018 -0.301731 38.632744 0.56783973E+03 0.13989352E+05 9.426737 7.680938 0.507044 2.163301 0.998881 29.022980 80.015592 0.638117 0.389613 -1.103886 -0.005785 -0.132544 -0.184465 0.227219 0.012906 0.001042 -0.124919 0.118184 -0.313950 -0.190092 0.075639 0.114454 10.335815 15.480664 1.903809 -0.471228 6.795371 1.253660 8.731410 -0.000029 214 N 7.076667 10.329231 8.808566 -0.301732 39.830365 0.57346163E+03 0.14159257E+05 9.616072 7.697064 0.513805 2.162941 0.999328 29.119688 80.307718 0.640314 0.387416 -1.105717 0.083866 -0.022316 0.216016 0.232797 0.018815 -0.086897 0.026341 -0.019723 -0.513879 -0.201984 0.090793 0.111191 10.724332 11.843462 5.169809 -0.685517 10.546148 -1.189899 9.783386 -0.000026 215 N 0.598212 5.664215 5.556679 -0.361256 38.465771 0.58431145E+03 0.14532462E+05 9.417400 7.740807 0.043626 2.018004 0.997711 29.666175 82.809827 0.640401 0.384556 -1.104905 0.019644 -0.090395 0.078337 0.121218 0.002196 -0.023008 -0.002343 0.050315 0.223166 -0.062462 -0.017726 0.080187 10.518383 8.558515 -4.536816 -0.960832 13.324431 -0.482937 9.672204 -0.000079 216 N 1.765031 3.813267 5.405609 0.010855 27.322045 0.35877269E+03 0.78800657E+04 7.513276 6.032399 0.166036 2.144626 0.998539 23.330944 60.729868 0.733168 0.380358 -1.110567 0.025643 -0.063191 0.032862 0.075701 -0.065755 -0.053328 0.001862 -0.041728 0.058612 -0.095101 0.014240 0.080861 8.430829 8.133549 -4.239555 -1.816644 9.890675 0.586373 7.268263 -0.000021 217 N 8.148572 1.094883 4.690930 -0.364716 37.583432 0.58916196E+03 0.14673570E+05 9.218749 7.737362 0.087886 2.030232 0.997844 29.734042 82.875477 0.645390 0.381050 -1.108180 -0.027845 0.098597 -0.061924 0.119713 0.009753 -0.028317 -0.023368 0.023134 0.206588 -0.051367 -0.030481 0.081848 10.058967 7.689595 -3.584916 -1.310615 12.863468 -0.906837 9.623837 -0.000082 218 N 6.988720 2.886224 5.198371 0.001533 27.551994 0.36841469E+03 0.81412564E+04 7.538856 6.099466 0.097226 2.117629 0.998343 23.535041 61.339211 0.731937 0.378685 -1.112394 -0.036853 0.057893 -0.027213 0.073826 -0.065903 -0.062888 -0.000295 -0.034802 0.079036 -0.102279 0.015420 0.086858 8.399562 8.142698 -3.782327 -2.106241 9.251411 0.263461 7.804578 -0.000019 219 N 0.220302 6.729294 0.122018 -0.301731 38.632737 0.56783961E+03 0.13989349E+05 9.426735 7.680937 0.507044 2.163301 0.998881 29.022977 80.015578 0.638117 0.389613 -1.103886 0.005785 0.132544 -0.184465 0.227219 0.012906 -0.001042 0.124919 0.118184 -0.313950 -0.190092 0.075639 0.114454 10.335814 15.480662 1.903808 0.471228 6.795370 -1.253660 8.731408 -0.000026 220 N 5.984733 5.356769 18.492566 -0.301732 39.830374 0.57346176E+03 0.14159262E+05 9.616074 7.697065 0.513805 2.162940 0.999328 29.119691 80.307733 0.640314 0.387416 -1.105717 -0.083866 0.022316 0.216016 0.232797 0.018815 0.086897 -0.026341 -0.019723 -0.513879 -0.201984 0.090793 0.111191 10.724334 11.843465 5.169810 0.685517 10.546150 1.189899 9.783388 -0.000021 221 O 2.548715 15.151107 17.156174 -0.581449 32.224783 0.50551138E+03 0.11941357E+05 7.907225 6.886537 0.914330 2.331602 0.998057 27.792656 71.922209 0.737023 0.351805 -1.147183 0.013785 0.015422 -0.012359 0.024096 -0.005277 0.089646 -0.004410 -0.036968 -0.193836 -0.123247 0.048820 0.074427 8.491323 5.469576 0.161182 -0.389855 13.626314 1.534705 6.378079 0.000021 222 O 3.094681 1.303507 16.052198 -0.583124 41.517671 0.62083823E+03 0.15479883E+05 9.504574 7.733030 0.152488 2.097666 0.993982 28.212010 75.660930 0.680087 0.361204 -1.136621 -0.015778 -0.046115 0.003482 0.048864 0.025959 -0.020404 -0.017772 0.080036 0.100454 -0.065803 0.008390 0.057414 10.652766 8.613177 0.818929 -5.027008 8.340293 -0.987764 15.004828 0.000015 223 O 1.019660 15.424044 1.830276 -0.555016 29.724317 0.48752424E+03 0.11433394E+05 7.517382 6.818925 0.787869 2.306407 0.997277 27.278459 70.755641 0.730231 0.357657 -1.140385 0.006475 0.014948 0.010209 0.019225 -0.020297 0.052536 0.013367 -0.056955 -0.223152 -0.102425 0.030160 0.072265 7.799026 10.430588 1.187462 1.021692 5.981114 -0.541357 6.985377 0.000019 224 O 2.174288 15.370711 3.701225 -0.582224 35.113158 0.55823276E+03 0.13532140E+05 8.418515 7.258584 0.506907 2.212531 0.997138 27.775450 73.063768 0.713896 0.353932 -1.144250 -0.029489 0.005678 -0.028072 0.041109 -0.005643 -0.034512 -0.002739 -0.034707 0.184889 -0.058956 -0.012635 0.071590 9.193145 7.686157 0.924359 -2.657115 6.682101 -2.065165 13.211176 0.000014 225 O 1.805085 0.534893 7.472174 -0.581449 32.224771 0.50551115E+03 0.11941350E+05 7.907222 6.886534 0.914331 2.331602 0.998057 27.792656 71.922199 0.737024 0.351805 -1.147183 -0.013785 -0.015422 -0.012359 0.024096 -0.005277 -0.089646 0.004410 -0.036968 -0.193836 -0.123247 0.048820 0.074427 8.491319 5.469574 0.161182 0.389855 13.626307 -1.534703 6.378077 0.000021 226 O 1.259119 14.382493 6.368198 -0.583125 41.517694 0.62083860E+03 0.15479895E+05 9.504578 7.733033 0.152487 2.097665 0.993982 28.212018 75.660961 0.680087 0.361204 -1.136621 0.015778 0.046115 0.003482 0.048864 0.025959 0.020404 0.017772 0.080037 0.100454 -0.065804 0.008390 0.057414 10.652770 8.613181 0.818929 5.027011 8.340296 0.987764 15.004835 0.000015 227 O 3.334140 0.261956 11.514276 -0.555016 29.724320 0.48752429E+03 0.11433396E+05 7.517382 6.818926 0.787868 2.306407 0.997277 27.278460 70.755646 0.730231 0.357657 -1.140385 -0.006475 -0.014948 0.010209 0.019225 -0.020297 -0.052536 -0.013367 -0.056955 -0.223151 -0.102425 0.030160 0.072265 7.799027 10.430589 1.187462 -1.021692 5.981114 0.541358 6.985377 0.000019 228 O 2.179512 0.315289 13.385225 -0.582224 35.113159 0.55823278E+03 0.13532140E+05 8.418515 7.258584 0.506907 2.212531 0.997138 27.775450 73.063769 0.713896 0.353932 -1.144250 0.029489 -0.005678 -0.028073 0.041109 -0.005643 0.034512 0.002739 -0.034708 0.184890 -0.058956 -0.012635 0.071590 9.193145 7.686157 0.924359 2.657115 6.682101 2.065165 13.211176 0.000013 229 O 6.158885 7.308107 11.895826 -0.581449 32.224778 0.50551127E+03 0.11941354E+05 7.907223 6.886535 0.914331 2.331602 0.998057 27.792659 71.922210 0.737024 0.351805 -1.147183 -0.013785 0.015422 0.012359 0.024096 0.005277 0.089645 0.004410 -0.036968 -0.193836 -0.123247 0.048820 0.074427 8.491321 5.469575 -0.161182 -0.389855 13.626310 -1.534704 6.378078 0.000019 230 O 5.612919 9.146507 12.999802 -0.583125 41.517695 0.62083863E+03 0.15479896E+05 9.504578 7.733033 0.152488 2.097666 0.993982 28.212019 75.660964 0.680087 0.361204 -1.136621 0.015778 -0.046115 -0.003482 0.048864 -0.025959 -0.020404 0.017772 0.080037 0.100454 -0.065804 0.008390 0.057414 10.652771 8.613181 -0.818929 -5.027011 8.340296 0.987764 15.004835 0.000015 231 O 7.687940 7.581044 7.853724 -0.555016 29.724316 0.48752421E+03 0.11433393E+05 7.517381 6.818925 0.787870 2.306407 0.997277 27.278461 70.755644 0.730231 0.357657 -1.140385 -0.006475 0.014948 -0.010209 0.019225 0.020298 0.052536 -0.013367 -0.056955 -0.223152 -0.102425 0.030160 0.072265 7.799026 10.430587 -1.187462 1.021692 5.981113 0.541357 6.985377 0.000018 232 O 6.533312 7.527711 5.982775 -0.582224 35.113181 0.55823320E+03 0.13532153E+05 8.418519 7.258587 0.506907 2.212531 0.997138 27.775460 73.063805 0.713896 0.353932 -1.144250 0.029489 0.005678 0.028072 0.041109 0.005643 -0.034512 0.002739 -0.034707 0.184889 -0.058956 -0.012635 0.071590 9.193149 7.686161 -0.924360 -2.657117 6.682104 2.065166 13.211183 0.000014 233 O 6.902515 8.377893 2.211826 -0.581449 32.224765 0.50551105E+03 0.11941347E+05 7.907222 6.886534 0.914330 2.331602 0.998057 27.792651 71.922186 0.737024 0.351805 -1.147183 0.013785 -0.015422 0.012359 0.024096 0.005277 -0.089645 -0.004410 -0.036968 -0.193836 -0.123247 0.048820 0.074427 8.491319 5.469574 -0.161182 0.389855 13.626307 1.534703 6.378077 0.000022 234 O 7.448481 6.539493 3.315802 -0.583125 41.517711 0.62083893E+03 0.15479905E+05 9.504581 7.733035 0.152487 2.097665 0.993982 28.212025 75.660986 0.680087 0.361204 -1.136621 -0.015778 0.046115 -0.003482 0.048864 -0.025959 0.020404 -0.017772 0.080037 0.100454 -0.065804 0.008390 0.057414 10.652774 8.613183 -0.818929 5.027013 8.340298 -0.987764 15.004841 0.000016 235 O 5.373460 8.104956 17.537724 -0.555016 29.724308 0.48752403E+03 0.11433388E+05 7.517380 6.818924 0.787869 2.306408 0.997277 27.278455 70.755625 0.730231 0.357657 -1.140385 0.006475 -0.014948 -0.010209 0.019225 0.020297 -0.052536 0.013367 -0.056955 -0.223152 -0.102425 0.030160 0.072265 7.799024 10.430586 -1.187462 -1.021692 5.981113 -0.541357 6.985375 0.000018 236 O 6.528088 8.158289 15.666775 -0.582224 35.113169 0.55823298E+03 0.13532147E+05 8.418518 7.258586 0.506906 2.212531 0.997138 27.775453 73.063784 0.713896 0.353932 -1.144250 -0.029489 -0.005678 0.028073 0.041109 0.005643 0.034512 -0.002739 -0.034707 0.184889 -0.058956 -0.012635 0.071590 9.193147 7.686160 -0.924360 2.657116 6.682103 -2.065165 13.211179 0.000015 ****************************************************** Auxiliary information for the entire system The total spin magnetic moment of the unit cell is 0.000000 The total net atomic charge of the unit cell is 0.000009 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= 6568 The rms potential error without charges in kcal/mol is= 6.82845 The rms potential error with partial charges in kcal/mol is= 0.78826 The RRMSE value at monopole order= 0.11544 The rms potential error with partial charges and cloud penetration in kcal/mol is= 0.77460 The RRMSE value at monopole order with cloud penetration is= 0.11344 The rms potential error with partial charges and atomic dipoles in kcal/mol is= 0.65282 The RRMSE value at dipole order= 0.09560 The rms potential error with partial charges, atomic dipoles and cloud penetration in kcal/mol is= 0.64851 The RRMSE value at dipole order with cloud penetration= 0.09497 ****************************************************** 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.