264 jmolscript: load "" {1 1 1} spacegroup "x,y,z" unitcell [{ 18.272100 0.000000 0.000000 }, { -8.782523 16.023012 0.000000 }, { -4.744876 -8.011654 15.721616 }] Cd -1.198733 13.789546 1.935331 0.663212 Cd 7.700522 1.260499 3.381091 0.722132 Cd 2.163517 11.645014 3.242426 0.650211 Cd 7.923530 -2.434826 13.786285 0.663471 Cd 10.931335 -0.653054 12.340525 0.721959 Cd 4.426907 -0.517180 12.479190 0.647386 Cd -2.655302 -0.685537 7.663345 0.663939 Cd 12.810566 -2.586651 5.983333 0.723017 Cd -3.712846 0.093865 11.649246 0.652148 Cd 5.419908 5.353533 8.058271 0.662669 Cd 5.101601 1.978911 9.738283 0.721517 Cd 6.611777 4.800937 4.072527 0.646042 Cd 0.675122 -2.657969 7.663345 0.662446 Cd -8.425689 9.990452 5.983333 0.721455 Cd 1.866899 -3.210721 11.649246 0.645364 Cd 2.089484 7.325966 8.058271 0.664806 Cd -0.716766 5.424819 9.738283 0.724664 Cd 1.032032 8.105523 4.072527 0.651722 Cd -5.943588 5.777929 13.786285 0.664324 Cd -5.826839 9.271920 12.340525 0.720568 Cd -2.581323 3.633421 12.479190 0.649852 Cd 12.668384 5.576791 1.935331 0.663767 Cd -2.595926 7.358536 3.381091 0.722096 Cd 9.171747 7.494413 3.242426 0.650997 H 9.691827 0.955389 6.680429 0.132977 H 10.885683 1.626044 5.419398 0.155617 H 11.462390 0.379683 6.676341 0.142692 H -4.313317 10.112099 2.498165 0.144734 H -3.835418 11.763758 1.784718 0.162441 H -4.288249 11.623300 3.585000 0.153432 H 9.671466 2.360573 10.300803 0.153153 H 8.352104 2.172796 9.000940 0.141440 H 9.754632 0.951601 9.086937 0.133216 H 7.553218 -6.140373 12.165229 0.153516 H -2.581440 9.073387 13.156163 0.142395 H 7.364631 -5.749509 13.975573 0.161133 H 9.361173 -1.821186 9.629961 0.141692 H 10.057475 -3.229359 8.631167 0.154814 H 9.623759 -1.622163 7.797764 0.133082 H -0.477328 2.286661 6.690648 0.161233 H -1.306793 3.953135 6.671939 0.138237 H -2.209832 2.456752 6.030812 0.162525 H 5.896296 -0.696830 7.332404 0.149437 H 7.672737 -0.349695 7.767422 0.132102 H 7.202397 -0.727662 6.006286 0.143498 H -10.025545 9.179741 8.851113 0.145124 H -9.617118 7.521512 9.592230 0.151962 H 6.878450 8.010937 9.327949 0.161748 H -7.651444 7.233906 8.835705 0.151578 H -5.926154 7.378668 9.519753 0.139420 H -6.232799 7.647631 7.703435 0.137018 H 3.978820 -0.425950 6.155642 0.154411 H 3.407562 1.189964 6.882609 0.145501 H 2.159239 -0.086344 6.355149 0.161285 H -3.849860 6.276379 7.992398 0.137273 H -3.493309 4.775834 6.950055 0.157534 H -4.196562 6.309564 6.163660 0.141020 H 12.600082 -4.175521 8.920130 0.141403 H 4.004203 10.015017 9.189127 0.162360 H 2.418739 10.868398 9.662034 0.158940 H -2.384519 9.529910 10.274390 0.153066 H -3.887973 9.153780 9.242895 0.136804 H -2.269595 8.311854 8.871393 0.139468 H 9.194496 2.097289 13.144214 0.143200 H -9.011646 3.682775 12.170732 0.156727 H -8.582186 3.684120 13.982019 0.162491 H -5.127795 9.949665 6.894086 0.139165 H -4.091894 10.543972 5.465934 0.152233 H -3.583855 9.025862 6.415991 0.137326 H 11.655705 1.941413 1.576406 0.159351 H 11.124976 1.042508 3.117754 0.138586 H 12.572704 2.211546 3.173723 0.163090 H 3.817794 -4.434346 14.650345 0.138505 H 9.615970 3.466094 0.459700 0.134135 H 7.770766 3.660932 0.611571 0.155183 H -0.290697 3.863330 14.777061 0.156916 H 3.864946 10.400937 0.028142 0.162235 H 4.472023 11.920231 0.916413 0.157729 H -6.098595 1.756864 14.810548 0.136698 H -5.161172 0.405956 15.683412 0.160893 H -1.315964 9.714102 0.949271 0.136372 H 7.272958 8.400623 0.184729 0.162660 H 3.436368 1.491283 14.712288 0.154800 H 8.384796 9.749755 0.824599 0.159952 H 6.498922 8.953443 5.905668 0.136620 H 5.688864 10.089326 4.673093 0.160366 H 4.849184 9.723906 6.293835 0.136416 H -1.137614 -1.257215 13.738649 0.162275 H -0.564025 -3.017902 13.548260 0.152964 H -2.379431 -2.615403 13.458018 0.161802 H 1.747383 0.939177 9.803056 0.136715 H 0.097951 1.721263 9.437686 0.135157 H 0.957197 2.071591 11.051510 0.160681 H 4.098140 4.912715 2.190807 0.153819 H 3.720017 6.722997 1.978251 0.162517 H 2.335513 5.508610 2.250864 0.160627 C 10.227235 -0.397419 5.093804 0.355709 C 10.587759 0.704956 6.021379 -0.437529 C -2.355671 10.831527 3.046849 0.359822 C -3.781859 11.098314 2.708834 -0.445310 C 8.263038 0.765800 10.627812 0.359215 C 9.056447 1.611824 9.700237 -0.437556 C 5.885706 -4.871115 12.674767 0.363980 C 6.805150 -5.993530 13.012782 -0.443801 C 11.407677 -1.594374 9.002197 0.358072 C 10.032600 -2.095892 8.750651 -0.437043 C -2.014306 2.578026 8.175240 0.355459 C -1.470089 2.833606 6.812176 -0.446243 C 6.646076 1.225697 6.719419 0.359107 C 6.867219 -0.221183 6.970965 -0.437517 C 7.973672 7.484278 7.546376 0.360774 C 7.936199 8.084327 8.909440 -0.443030 C -6.881249 9.237182 9.002197 0.355964 C -6.660102 7.790306 8.750651 -0.436908 C 3.228880 -0.527234 8.175240 0.359132 C 3.191422 0.072841 6.812176 -0.443529 C -2.119622 6.417153 6.719419 0.352349 C -3.494701 5.915630 6.970965 -0.438201 C 2.730486 10.589538 7.546376 0.356237 C 3.274688 10.845092 8.909440 -0.448254 C -3.300108 7.614035 10.627812 0.356521 C -2.939573 8.716427 9.700237 -0.436254 C -7.100513 2.819931 12.674767 0.357075 C -8.526704 3.086711 13.012782 -0.446721 C -5.264243 8.777358 5.093804 0.357323 C -4.470844 9.623364 6.021379 -0.436341 C 10.630548 3.140482 3.046849 0.356966 C 11.549996 2.018073 2.708834 -0.446602 C 8.450473 1.680814 0.000000 0.377608 C 8.609853 3.190182 0.000000 -0.434442 C 2.539750 12.087760 0.000000 0.398463 C 3.910857 11.539773 0.000000 -0.454271 C -2.587813 8.218203 0.000000 0.377968 C -1.340837 9.083446 0.000000 -0.434900 C 9.379159 8.037143 0.000000 0.398725 C 8.239597 8.976091 0.000000 -0.454950 C 6.558211 11.073443 6.414419 0.378012 C 5.855037 9.886144 5.782410 -0.435758 C -1.214731 -2.051056 11.747191 0.398647 C -1.330512 -2.246551 13.206157 -0.454620 C 1.813406 3.061910 9.307197 0.375552 C 1.110225 1.874599 9.939206 -0.434854 C 3.530101 5.960523 3.974425 0.398422 C 3.414336 5.765056 2.515459 -0.454282 N 9.264432 -0.329312 4.158367 -0.266497 N 9.280613 -1.542248 3.564090 -0.042412 N 1.409098 13.742098 4.114347 -0.028799 N 10.803629 -1.602349 5.087515 -0.255627 N 8.187347 -0.327677 0.655591 -0.043724 N 8.353121 0.933330 1.108374 -0.250698 N -1.892001 9.652229 3.499632 -0.266001 N -0.578811 9.833288 3.663137 -0.047011 N -0.243879 11.059052 3.329838 -0.055102 N -1.364484 11.718402 2.954092 -0.244465 N 1.815465 12.345721 1.081647 -0.248508 N 0.625384 12.816801 0.650875 -0.046128 N 8.785524 -0.045774 11.563249 -0.268242 N 7.714102 -0.614597 12.157526 -0.044041 N 6.628486 -0.170754 11.607269 -0.028829 N 6.929376 0.692094 10.634101 -0.254402 N 9.304622 -0.989563 15.066025 -0.044125 N -7.941361 -0.238079 14.613242 -0.252160 N 4.628707 -5.031341 12.221984 -0.267911 N 4.156294 -3.792760 12.058479 -0.049912 N 5.070191 -2.909896 12.391778 -0.053819 N 6.186999 -3.575655 12.767524 -0.241777 N 5.208632 -0.485635 14.639969 -0.247710 N 6.193738 -1.302813 15.070741 -0.046777 N 12.432715 -1.699317 8.139081 -0.268437 N 13.471664 -1.111278 8.771090 -0.043676 N -5.186594 -0.683475 9.931345 -0.028988 N 11.791715 -0.958271 10.112143 -0.255143 N -2.546502 -3.013195 7.211505 -0.043745 N 5.957546 12.234308 6.711558 -0.251646 N -2.007233 3.478510 9.175135 -0.264168 N -2.568311 2.852000 10.212762 -0.045352 N -2.905945 1.627845 9.876319 -0.053471 N -2.580737 1.439587 8.576142 -0.245510 N -2.070438 -1.373276 10.992554 -0.249284 N -1.597296 -1.419730 9.728536 -0.046127 N 6.061354 2.074108 7.582535 -0.266059 N 6.077646 3.267828 6.950526 -0.043936 N 6.638412 3.134848 5.790271 -0.029192 N 7.019305 1.868230 5.609473 -0.256076 N 3.326457 4.330139 8.510111 -0.045822 N 3.120096 3.093158 9.010058 -0.254145 N 8.759929 7.923318 6.546481 -0.267151 N 8.480230 7.130188 5.508854 -0.047862 N 7.569035 6.245715 5.845297 -0.054906 N 7.247623 6.440382 7.145474 -0.243007 N 4.535743 5.535906 4.729062 -0.247745 N 4.267575 5.928458 5.993080 -0.046577 N -7.465961 10.085608 8.139081 -0.266642 N -7.449676 11.279317 8.771090 -0.042739 N 1.893601 -4.876697 9.931345 -0.028329 N -6.508032 9.879694 10.112143 -0.257015 N -1.418324 -3.681355 7.211505 -0.045165 N 7.864897 11.104685 6.711558 -0.253713 N 4.015126 -0.088213 9.175135 -0.270486 N 3.735416 -0.881362 10.212762 -0.047118 N 2.824224 -1.765829 9.876319 -0.053858 N 2.502827 -1.571137 8.576142 -0.242061 N -0.209080 -2.475659 10.992554 -0.247542 N -0.477234 -2.083083 9.728536 -0.046709 N -1.094594 6.312194 7.582535 -0.267632 N -0.055637 6.900245 6.950526 -0.041257 N -0.441783 7.328070 5.790271 -0.028330 N -1.735571 7.053277 5.609473 -0.256715 N 2.198280 4.998298 8.510111 -0.043305 N 1.212745 4.222780 9.010058 -0.250245 N 2.737570 11.490040 6.546481 -0.265842 N 2.176503 10.863550 5.508854 -0.045395 N 1.838866 9.639389 5.845297 -0.053818 N 2.164060 9.451106 7.145474 -0.245335 N 2.674385 6.638289 4.729062 -0.248848 N 3.147514 6.591811 5.993080 -0.046341 N -4.262920 7.682124 11.563249 -0.267212 N -4.246746 6.469177 12.157526 -0.043250 N -3.335732 5.730521 11.607269 -0.029085 N -2.723714 6.409105 10.634101 -0.257215 N -5.340045 7.683694 15.066025 -0.046305 N 3.608258 -7.078303 14.613242 -0.253128 N -6.636838 1.640641 12.221984 -0.267318 N -5.323646 1.821703 12.058479 -0.046186 N -4.988718 3.047460 12.391778 -0.054510 N -6.109327 3.706804 12.767524 -0.244383 N -2.929399 4.334087 14.639969 -0.248572 N -4.119484 4.805159 15.070741 -0.046413 N -4.741746 7.965801 4.158367 -0.267875 N -5.813161 7.396990 3.564090 -0.043475 N 11.373316 7.840822 4.114347 -0.028758 N -6.597905 8.703652 5.087515 -0.256907 N -4.222609 7.022079 0.655591 -0.044733 N -3.196497 7.773554 1.108374 -0.253288 N 9.373544 2.980247 3.499632 -0.263781 N 8.901129 4.218825 3.663137 -0.045438 N 9.815030 5.101696 3.329838 -0.052353 N 10.931842 4.435943 2.954092 -0.245304 N 9.953496 7.525999 1.081647 -0.248870 N 10.938607 6.708829 0.650875 -0.047096 Cl 6.068195 -0.778349 3.347918 -0.466605 Cl 5.948871 2.922974 2.536683 -0.441015 Cl 9.928027 -3.064437 12.373698 -0.468664 Cl -5.040996 -1.390040 13.184933 -0.445381 Cl 14.156929 -0.378436 5.617805 -0.468838 Cl 4.480549 12.543340 3.629021 -0.444032 Cl 6.390874 4.220927 10.103811 -0.467695 Cl 4.100977 1.946442 12.092595 -0.442548 Cl -7.136412 12.232475 5.617805 -0.469209 Cl 8.845813 9.958027 3.629021 -0.444290 Cl 0.629592 7.633027 10.103811 -0.469816 Cl -0.264286 4.531755 12.092595 -0.443678 Cl -7.459167 7.233072 12.373698 -0.468783 Cl 1.204023 -5.088632 13.184933 -0.440889 Cl -3.599234 4.947154 3.347918 -0.469745 Cl -0.296148 6.621566 2.536683 -0.444540 Cl -2.729412 13.129576 0.000000 -0.451196 Cl 12.825373 3.917306 0.000000 -0.455839 Cl -0.303229 -0.511998 6.682630 -0.455365 Cl 4.441546 7.499486 9.038986 -0.452311 Cl 2.609083 9.276339 2.482129 -0.438219 Cl 2.135618 -1.264981 13.239487 -0.433831 Cl -2.135766 1.264732 13.239487 -0.438072 Cl 6.880467 6.746626 2.482129 -0.436279 The following XYZ coordinates are in angstroms. Other properties are in atomic units. The sperically averaged electron density of each atom fit to a function of the form exp(a - br) eigen_1, eigen_2 and eigen_3 are the three eigenvalues of traceless quadrupole moment tensor atom number atomic symbol X Y Z net charge C6 coefficient C8 coefficient C10 coefficient fluctuating dipole atomic polarizability isotropic forcefield polarizability a b squared Pearson coefficient wp_QDO m_QDO q_QDO dipole_x dipole_y dipole_z dipole Qxy Qxz Qyz Q(x^2-y^2) Q(3z^2 - R^2) eigen_1 eigen_2 eigen_3 static polarizability alpha(xx) alpha(xy) alpha(xz) alpha(yy) alpha(yz) alpha(zz) atomic spin moment 1 Cd -1.198733 13.789546 1.935331 0.663212 214.795933 0.54524205E+04 0.22078922E+06 28.854328 24.410717 1.028650 1.958466 0.997911 88.537613 250.156767 0.369075 0.409829 -1.167364 -0.079019 -0.005675 0.009399 0.079778 -0.023006 0.025502 0.009985 0.104294 -0.042959 -0.055906 -0.014572 0.070477 33.830463 21.093102 1.928923 -0.892655 43.766501 0.888414 36.631787 -0.000000 2 Cd 7.700522 1.260499 3.381091 0.722132 181.414493 0.46589704E+04 0.18187298E+06 26.169801 22.802451 0.996339 1.963789 0.997944 86.220944 241.293743 0.374907 0.418509 -1.158154 -0.054878 -0.006811 -0.019460 0.058623 0.003306 0.022334 0.015709 -0.032746 -0.132916 -0.054794 0.011745 0.043049 29.807425 21.636737 -2.639183 -3.824221 34.672212 1.491892 33.113325 -0.000000 3 Cd 2.163517 11.645014 3.242426 0.650211 192.913768 0.49675047E+04 0.19723325E+06 27.258406 23.577309 1.007793 1.950385 0.998066 89.015436 251.995022 0.367606 0.419644 -1.156300 0.053217 -0.028476 -0.040636 0.072762 -0.002474 -0.005096 0.018769 0.023349 -0.137444 -0.051638 0.016071 0.035567 31.179820 25.084474 0.833857 6.976294 30.588487 -0.439951 37.866497 -0.000001 4 Cd 7.923530 -2.434826 13.786285 0.663471 214.078912 0.54480644E+04 0.22057528E+06 28.793071 24.403377 1.031074 1.959251 0.997890 88.526182 250.127359 0.369065 0.409910 -1.167272 0.033396 -0.072680 -0.008765 0.080464 -0.056381 0.004184 -0.027485 -0.016804 -0.046278 -0.055456 -0.015796 0.071252 33.702850 36.741503 10.533632 -1.184191 27.860669 0.404721 36.506379 -0.000000 5 Cd 10.931335 -0.653054 12.340525 0.721959 180.154266 0.46217107E+04 0.18013936E+06 26.096708 22.746971 0.985543 1.960475 0.997956 86.291225 241.665768 0.374304 0.419832 -1.156709 0.021410 -0.052436 0.018998 0.059739 0.018671 -0.001633 -0.029423 0.011260 -0.124423 -0.054440 0.009444 0.044996 29.711598 33.768746 4.034262 -3.141755 22.351478 2.719230 33.014570 -0.000000 6 Cd 4.426907 -0.517180 12.479190 0.647386 192.109058 0.49446990E+04 0.19618041E+06 27.221403 23.552354 1.005347 1.948692 0.998172 89.175687 252.683543 0.366970 0.420688 -1.155121 -0.048707 0.031999 0.039121 0.070191 -0.010832 -0.016404 -0.005237 -0.008208 -0.135002 -0.049772 0.015319 0.034453 31.126035 28.525775 2.733748 3.766792 26.987410 -5.863491 37.864922 -0.000001 7 Cd -2.655302 -0.685537 7.663345 0.663939 213.152826 0.53987387E+04 0.21816876E+06 28.766958 24.332404 1.024451 1.957422 0.997842 88.550098 250.286179 0.368550 0.411253 -1.165853 0.016648 0.043538 -0.065220 0.080165 0.002137 -0.033965 -0.018696 0.052287 0.154228 -0.055441 -0.015502 0.070943 33.732238 37.499124 1.326156 5.568118 38.539439 7.115921 25.158152 -0.000000 8 Cd 12.810566 -2.586651 5.983333 0.723017 180.629380 0.46285519E+04 0.18043701E+06 26.122679 22.748341 0.991246 1.962398 0.997962 86.220695 241.332866 0.374749 0.419262 -1.157331 0.034031 0.019440 -0.045349 0.059938 0.046230 -0.004372 0.019272 0.006647 0.023939 -0.055046 0.009805 0.045241 29.773746 31.340992 -2.146508 7.056542 30.655646 3.915734 27.324600 0.000000 9 Cd -3.712846 0.093865 11.649246 0.652148 193.166485 0.49817348E+04 0.19788945E+06 27.257900 23.593409 1.012031 1.952452 0.997945 88.894132 251.500741 0.367987 0.419017 -1.157027 0.033419 -0.024148 0.061992 0.074451 0.031235 0.008672 -0.017327 -0.008809 0.096261 -0.051465 0.013236 0.038229 31.160906 38.621321 -1.991928 -4.375499 29.102607 4.903666 25.758790 -0.000001 10 Cd 5.419908 5.353533 8.058271 0.662669 213.857794 0.54269543E+04 0.21956214E+06 28.806826 24.380837 1.025889 1.957407 0.997952 88.591944 250.426620 0.368581 0.410745 -1.166388 0.030821 0.033869 0.064664 0.079237 -0.021482 0.001499 0.036989 -0.026004 0.156828 -0.055480 -0.013997 0.069477 33.754860 37.064494 1.213880 -3.533540 38.965495 -8.343324 25.234590 -0.000000 11 Cd 5.101601 1.978911 9.738283 0.721517 180.156152 0.46109036E+04 0.17965064E+06 26.119097 22.736070 0.975809 1.957492 0.997955 86.347471 241.943498 0.373927 0.420413 -1.156067 0.001202 0.039612 0.044757 0.059781 0.019254 -0.017981 -0.004614 -0.085386 0.025088 -0.055390 0.010683 0.044707 29.770778 32.707160 -1.425646 -0.026821 29.290734 -8.083629 27.314439 -0.000000 12 Cd 6.611777 4.800937 4.072527 0.646042 191.774533 0.49245561E+04 0.19521362E+06 27.205137 23.514026 1.004330 1.947909 0.998203 89.231604 252.867445 0.366982 0.421035 -1.154695 -0.035896 0.018340 -0.056403 0.069327 0.021891 0.014388 0.001854 -0.056324 0.084407 -0.051868 0.018265 0.033602 31.124834 33.018762 -5.058337 -6.345566 34.549974 1.446688 25.805767 -0.000001 13 Cd 0.675122 -2.657969 7.663345 0.662446 213.289628 0.54184857E+04 0.21915141E+06 28.766304 24.369656 1.024626 1.956904 0.997975 88.612126 250.509971 0.368458 0.411010 -1.166107 0.030880 0.033361 -0.064303 0.078749 -0.021858 -0.000812 -0.035357 -0.025092 0.156938 -0.055105 -0.013203 0.068308 33.682734 36.955707 1.234304 3.520573 38.894827 8.324868 25.197670 -0.000000 14 Cd -8.425689 9.990452 5.983333 0.721455 180.013506 0.46121451E+04 0.17971758E+06 26.109910 22.743120 0.974084 1.956975 0.997949 86.361984 242.025149 0.373758 0.420560 -1.155924 0.002228 0.040550 -0.044597 0.060318 0.020249 0.017822 0.005578 -0.083564 0.026776 -0.055017 0.010359 0.044658 29.742143 32.639926 -1.484689 0.067191 29.316268 8.079245 27.270235 -0.000000 15 Cd 1.866899 -3.210721 11.649246 0.645364 191.555918 0.49163909E+04 0.19483680E+06 27.199560 23.505867 1.004438 1.947680 0.998227 89.277341 253.080004 0.366728 0.421442 -1.154253 -0.034813 0.017618 0.055773 0.068066 0.021664 -0.013646 -0.001433 -0.054252 0.086533 -0.051075 0.017730 0.033345 31.127253 33.006946 -5.075912 6.356359 34.582515 -1.463158 25.792298 -0.000001 16 Cd 2.089484 7.325966 8.058271 0.664806 214.661574 0.54448135E+04 0.22039229E+06 28.837260 24.388035 1.033874 1.960525 0.997824 88.453064 249.823214 0.369395 0.409640 -1.167563 0.015507 0.044426 0.066249 0.081260 0.001022 0.034594 0.023043 0.047534 0.154768 -0.055495 -0.016749 0.072244 33.822895 37.626272 1.418656 -5.632291 38.563252 -7.180428 25.279162 -0.000000 17 Cd -0.716766 5.424819 9.738283 0.724664 181.178799 0.46518105E+04 0.18152001E+06 26.148948 22.786435 0.997645 1.964830 0.997903 86.129689 240.973736 0.375009 0.418564 -1.158139 0.034316 0.019368 0.043704 0.058845 0.044989 0.002783 -0.016395 0.001806 0.034679 -0.053680 0.011333 0.042346 29.790050 31.505039 -2.127158 -7.045793 30.571684 -3.958894 27.293428 0.000000 18 Cd 1.032032 8.105523 4.072527 0.651722 193.182344 0.49795945E+04 0.19779584E+06 27.265866 23.593115 1.010601 1.951867 0.997970 88.924529 251.633864 0.367854 0.419187 -1.156836 0.033644 -0.023532 -0.061793 0.074189 0.031556 -0.008713 0.016682 -0.007652 0.096951 -0.051658 0.013723 0.037934 31.181177 38.629871 -1.941960 4.334594 29.136378 -4.910261 25.777281 -0.000000 19 Cd -5.943588 5.777929 13.786285 0.664324 214.744718 0.54497383E+04 0.22065591E+06 28.851562 24.405981 1.029662 1.959089 0.997878 88.499035 250.042839 0.369078 0.409872 -1.167321 -0.079793 -0.005832 -0.009664 0.080588 -0.021857 -0.026086 -0.009279 0.104058 -0.041801 -0.055051 -0.015182 0.070233 33.821544 21.084333 1.927010 0.880213 43.806845 -0.850060 36.573454 -0.000000 20 Cd -5.826839 9.271920 12.340525 0.720568 179.846129 0.45966887E+04 0.17900525E+06 26.115658 22.720619 0.963872 1.953673 0.997982 86.432153 242.325089 0.373473 0.421140 -1.155267 -0.056970 -0.008982 0.017942 0.060401 0.003560 -0.024409 -0.018783 -0.032436 -0.127703 -0.055625 0.011604 0.044021 29.782424 21.585322 -2.636761 3.864135 34.629933 -1.356354 33.132018 -0.000000 21 Cd -2.581323 3.633421 12.479190 0.649852 192.655626 0.49561871E+04 0.19669984E+06 27.248645 23.561305 1.006013 1.949684 0.998096 89.049125 252.154337 0.367424 0.420032 -1.155868 0.052681 -0.028381 0.040460 0.072234 -0.002457 0.004442 -0.018229 0.022030 -0.138793 -0.051639 0.016616 0.035023 31.166854 25.072941 0.805601 -6.927550 30.586607 0.431848 37.841016 -0.000000 22 Cd 12.668384 5.576791 1.935331 0.663767 213.295646 0.54025040E+04 0.21836173E+06 28.780636 24.341836 1.023524 1.957096 0.997843 88.565350 250.362992 0.368453 0.411285 -1.165816 0.033541 -0.072466 0.008054 0.080257 -0.055653 -0.005690 0.030849 -0.017375 -0.042947 -0.056118 -0.016084 0.072201 33.746019 36.741994 10.571398 1.115989 27.869138 -0.419886 36.626923 -0.000000 23 Cd -2.595926 7.358536 3.381091 0.722096 179.832587 0.46010462E+04 0.17917476E+06 26.091285 22.713718 0.976791 1.957893 0.997962 86.321885 241.827789 0.374054 0.420486 -1.155991 0.020683 -0.053782 -0.019305 0.060770 0.018277 0.002262 0.028529 0.011824 -0.127667 -0.054548 0.009536 0.045012 29.746857 33.791746 4.077371 3.120728 22.356789 -2.720550 33.092036 -0.000000 24 Cd 9.171747 7.494413 3.242426 0.650997 193.062269 0.49791792E+04 0.19778730E+06 27.260150 23.596817 1.009492 1.951347 0.997978 88.961856 251.794785 0.367693 0.419354 -1.156650 -0.051153 0.034289 -0.040946 0.073952 -0.013215 0.019977 0.002101 -0.007496 -0.134751 -0.051096 0.013416 0.037680 31.156123 28.574580 2.728210 -3.765087 27.010720 5.929895 37.883068 -0.000001 25 H 9.691827 0.955389 6.680429 0.132977 1.495611 0.12778209E+02 0.14062026E+03 2.115060 2.039208 -1.412165 2.154216 0.996324 4.289688 12.595138 0.456083 1.220350 -0.719477 -0.025364 0.009086 0.014157 0.030435 0.000196 -0.008069 0.010931 0.007503 -0.019381 -0.016692 0.003757 0.012935 2.155249 2.385129 -0.238209 -0.580130 1.766202 0.182113 2.314417 0.000000 26 H 10.885683 1.626044 5.419398 0.155617 1.576005 0.13261644E+02 0.14620224E+03 2.153638 2.052057 -1.299403 2.220075 0.997138 3.957909 11.350273 0.466591 1.190729 -0.729353 0.012695 0.026878 -0.017678 0.034585 0.011220 -0.003413 -0.002089 -0.024234 -0.006080 -0.015930 -0.002109 0.018039 2.223166 1.726462 0.254616 -0.136938 2.679046 -0.665182 2.263990 -0.000000 27 H 11.462390 0.379683 6.676341 0.142692 1.774633 0.15419295E+02 0.17737182E+03 2.346818 2.223002 -1.603014 2.068523 0.996688 4.423240 13.163195 0.443037 1.201839 -0.724157 0.027976 -0.007557 0.018155 0.034196 0.000975 0.016519 0.008720 -0.005631 0.020535 -0.018496 -0.002429 0.020925 2.414399 2.665370 -0.291154 0.718528 2.023446 -0.279984 2.554382 0.000000 28 H -4.313317 10.112099 2.498165 0.144734 1.594215 0.13745472E+02 0.15290637E+03 2.160092 2.083703 -1.343297 2.191308 0.998084 4.066890 11.717056 0.464833 1.184522 -0.730275 -0.019010 -0.025256 -0.009752 0.033080 0.009880 0.008623 0.003544 0.012185 -0.031830 -0.013588 -0.006152 0.019740 2.200635 2.165558 0.616063 0.029401 2.536011 0.133551 1.900336 0.000000 29 H -3.835418 11.763758 1.784718 0.162441 1.596041 0.13440355E+02 0.14873450E+03 2.168027 2.062559 -1.321705 2.202216 0.997949 4.003642 11.519711 0.466307 1.186952 -0.729612 -0.004430 0.019459 -0.026166 0.032908 -0.001785 0.006692 -0.006281 0.007426 -0.002320 -0.009241 -0.001512 0.010753 2.207032 1.774738 0.045231 -0.031116 2.166633 -0.628455 2.679726 0.000000 30 H -4.288249 11.623300 3.585000 0.153432 1.518712 0.12898806E+02 0.14180053E+03 2.131674 2.049088 -1.174708 2.276212 0.998807 4.001897 11.614982 0.456431 1.220683 -0.721866 -0.015408 0.018692 0.019761 0.031262 -0.003062 -0.000734 0.009370 0.008301 0.012134 -0.012100 0.001880 0.010221 2.164431 2.063008 -0.203683 -0.556057 1.942367 0.277601 2.487919 0.000000 31 H 9.671466 2.360573 10.300803 0.153153 1.598284 0.13480947E+02 0.14914962E+03 2.167255 2.062825 -1.367499 2.191639 0.997579 3.993894 11.453539 0.467702 1.183683 -0.730832 0.016749 0.022332 0.017170 0.032773 0.017069 0.000163 0.001104 -0.004136 -0.002713 -0.016765 -0.000928 0.017693 2.237058 2.193703 0.543719 0.500746 2.247292 0.486461 2.270180 -0.000000 32 H 8.352104 2.172796 9.000940 0.141440 1.787676 0.15532588E+02 0.17911744E+03 2.363610 2.234928 -1.642151 2.051223 0.996507 4.453788 13.298390 0.440451 1.205909 -0.723080 -0.020100 0.019411 -0.019539 0.034096 0.003377 0.000741 -0.019341 0.002028 0.021983 -0.019519 -0.002139 0.021658 2.434698 2.431721 -0.399756 0.626691 2.223683 -0.486116 2.648690 0.000000 33 H 9.754632 0.951601 9.086937 0.133216 1.516682 0.13013087E+02 0.14378936E+03 2.132054 2.056061 -1.417604 2.152876 0.995942 4.289098 12.599243 0.455026 1.218212 -0.720139 0.021674 -0.018106 -0.013321 0.031225 -0.003096 -0.014129 0.002102 -0.003666 -0.022247 -0.017644 0.003847 0.013797 2.171418 2.186408 -0.413278 -0.436707 2.054267 0.393720 2.273579 0.000000 34 H 7.553218 -6.140373 12.165229 0.153516 1.541642 0.13186752E+02 0.14571923E+03 2.151354 2.071082 -1.185567 2.271515 0.998713 4.011314 11.659671 0.454401 1.219798 -0.722240 0.025019 -0.003137 -0.019300 0.031754 -0.004894 -0.008931 -0.004351 0.002073 0.009363 -0.012252 0.001831 0.010421 2.179974 2.227746 -0.142199 -0.540994 1.857656 0.304487 2.454520 0.000000 35 H -2.581440 9.073387 13.156163 0.142395 1.611849 0.13873777E+02 0.15476425E+03 2.178228 2.094350 -1.359950 2.181737 0.997879 4.107382 11.868168 0.463122 1.185591 -0.729772 -0.013164 -0.029482 0.007770 0.033209 -0.000119 0.001432 -0.007867 -0.023965 -0.035254 -0.013948 -0.005879 0.019827 2.225707 1.938659 0.503787 -0.063982 2.838292 -0.022126 1.900169 0.000000 36 H 7.364631 -5.749509 13.975573 0.161133 1.606356 0.13550921E+02 0.15030090E+03 2.179571 2.072555 -1.303001 2.208675 0.998220 4.020642 11.590757 0.464557 1.188706 -0.729170 0.018083 0.005191 0.027074 0.032969 -0.004588 0.008500 -0.002716 -0.000644 -0.001275 -0.008973 -0.001879 0.010852 2.221901 1.994576 0.166326 0.516732 1.896547 0.314808 2.774580 0.000000 37 H 9.361173 -1.821186 9.629961 0.141692 1.780586 0.15443064E+02 0.17787428E+03 2.360343 2.230784 -1.617637 2.063184 0.996325 4.446854 13.281131 0.440062 1.208406 -0.722518 -0.020482 0.005170 0.027051 0.034322 0.003762 -0.007708 0.007637 0.032493 -0.019115 -0.019487 -0.002151 0.021638 2.432711 2.551201 -0.288830 -0.723230 2.039510 0.333008 2.707420 0.000000 38 H 10.057475 -3.229359 8.631167 0.154814 1.596793 0.13500078E+02 0.14947545E+03 2.170858 2.068630 -1.325157 2.207208 0.996585 3.985694 11.449700 0.465384 1.188669 -0.729766 0.000797 -0.033553 -0.001724 0.033607 0.006364 0.004103 0.004475 -0.011369 -0.046576 -0.016759 -0.000553 0.017312 2.238963 1.801095 -0.121558 -0.039324 3.189389 0.276666 1.726406 -0.000000 39 H 9.623759 -1.622163 7.797764 0.133082 1.522449 0.13053920E+02 0.14428746E+03 2.134513 2.056951 -1.398948 2.160753 0.996373 4.278929 12.552624 0.455911 1.215453 -0.720877 -0.008538 0.010200 -0.028412 0.031371 0.007044 0.009830 -0.008738 0.006228 0.018402 -0.017683 0.003743 0.013940 2.175282 2.024927 -0.287432 0.425124 1.956169 -0.408268 2.544750 0.000000 40 H -0.477328 2.286661 6.690648 0.161233 1.581034 0.13578166E+02 0.14997747E+03 2.127283 2.054155 -1.212337 2.253639 0.998688 3.889030 11.018846 0.475844 1.165350 -0.736223 0.029996 -0.015571 -0.006452 0.034407 -0.006018 -0.006266 -0.002606 0.024006 -0.001492 -0.014412 -0.001206 0.015618 2.161214 2.665401 -0.548403 -0.101603 2.100702 0.027339 1.717540 0.000000 41 H -1.306793 3.953135 6.671939 0.138237 1.609743 0.13383914E+02 0.14929561E+03 2.247284 2.106592 -1.443188 2.145250 0.997396 4.307787 12.816696 0.441604 1.243395 -0.714707 0.008278 0.030216 -0.009011 0.032599 0.005332 -0.010345 -0.009123 -0.014776 0.011266 -0.014982 -0.003255 0.018237 2.347788 1.837308 0.089165 -0.035534 3.409446 -0.380929 1.796610 0.000000 42 H -2.209832 2.456752 6.030812 0.162525 1.691358 0.14892768E+02 0.16960161E+03 2.303132 2.216771 -1.237293 2.257421 0.997208 4.007372 11.812989 0.434664 1.237364 -0.719885 -0.019546 -0.013250 -0.024637 0.034126 0.006688 0.002746 0.003018 0.013383 0.026275 -0.013977 0.002846 0.011131 2.311021 2.326819 0.230931 0.596171 2.101750 0.222060 2.504494 0.000001 43 H 5.896296 -0.696830 7.332404 0.149437 1.603572 0.13424659E+02 0.14825141E+03 2.161103 2.049316 -1.356386 2.188824 0.998172 4.013785 11.469506 0.472786 1.173129 -0.733064 -0.027942 -0.015217 0.008776 0.033005 0.007573 -0.005238 -0.007231 -0.009896 -0.042273 -0.016582 -0.001919 0.018501 2.240547 2.922436 0.470077 -0.440929 1.957470 -0.202530 1.841735 -0.000000 44 H 7.672737 -0.349695 7.767422 0.132102 1.451186 0.12279368E+02 0.13396480E+03 2.082074 2.005476 -1.378722 2.168117 0.996350 4.287309 12.586662 0.457089 1.228260 -0.717390 0.017379 -0.002320 0.023606 0.029405 0.001481 0.012399 -0.002059 -0.007162 0.007802 -0.014441 0.002567 0.011874 2.124027 2.400141 -0.222931 0.583952 1.732767 -0.151276 2.239172 -0.000000 45 H 7.202397 -0.727662 6.006286 0.143498 1.784311 0.15611594E+02 0.17991586E+03 2.342947 2.227494 -1.510922 2.098459 0.996697 4.417393 13.104252 0.445930 1.191838 -0.726580 0.008384 -0.016171 -0.028232 0.033598 -0.010075 -0.007829 0.003025 -0.025444 -0.012748 -0.017421 -0.002231 0.019652 2.402336 2.141641 -0.256242 -0.468663 2.242800 0.559948 2.822566 0.000000 46 H -10.025545 9.179741 8.851113 0.145124 1.587111 0.13708580E+02 0.15221023E+03 2.144942 2.074479 -1.312146 2.204545 0.998228 4.033482 11.564356 0.468595 1.177219 -0.732286 0.005564 0.032777 0.002881 0.033370 0.004283 0.000431 0.011002 -0.024680 -0.002703 -0.012876 -0.006527 0.019403 2.180273 1.983586 0.326985 0.091279 2.845174 0.072148 1.712058 0.000000 47 H -9.617118 7.521512 9.592230 0.151962 1.507349 0.12731190E+02 0.13956067E+03 2.122860 2.036349 -1.175299 2.274478 0.998793 4.014123 11.650192 0.457452 1.221424 -0.721448 0.014366 -0.015748 0.022370 0.030900 -0.008170 0.006400 -0.000037 -0.005262 0.005610 -0.011603 0.001767 0.009836 2.161663 2.437729 -0.278750 0.534762 1.875700 -0.309207 2.171560 0.000000 48 H 6.878450 8.010937 9.327949 0.161748 1.625648 0.13735259E+02 0.15289359E+03 2.199426 2.088860 -1.337078 2.194961 0.997614 4.031288 11.650446 0.461892 1.191278 -0.728621 -0.029745 -0.001533 0.014711 0.033219 0.001838 -0.006917 0.006222 0.004671 0.014484 -0.010359 -0.000512 0.010871 2.238716 3.039534 0.088412 -0.361292 1.793480 -0.004383 1.883134 0.000000 49 H -7.651444 7.233906 8.835705 0.151578 1.620487 0.13817336E+02 0.15364603E+03 2.177703 2.080800 -1.343046 2.199420 0.997668 4.012410 11.494126 0.468750 1.175081 -0.732977 -0.027463 -0.016311 0.001856 0.031996 0.009210 0.000024 0.003817 -0.007868 -0.044587 -0.015509 -0.002253 0.017762 2.235699 2.957554 0.537334 0.065656 2.054910 -0.006036 1.694635 0.000000 50 H -5.926154 7.378668 9.519753 0.139420 1.743758 0.14968513E+02 0.17139085E+03 2.344791 2.208730 -1.613831 2.066568 0.995524 4.454330 13.346002 0.437683 1.222187 -0.719117 0.018320 -0.013720 0.024054 0.033204 -0.010630 0.011201 -0.003165 -0.018660 -0.024558 -0.018779 -0.001625 0.020403 2.424213 2.637840 -0.432908 0.696320 2.122781 -0.375954 2.512018 0.000000 51 H -6.232799 7.647631 7.703435 0.137018 1.548143 0.13383289E+02 0.14874166E+03 2.156110 2.082881 -1.441163 2.147468 0.995882 4.240221 12.442927 0.453356 1.215618 -0.721390 0.010421 -0.004252 -0.030483 0.032494 0.001130 -0.010657 0.006853 -0.014575 0.018992 -0.016452 0.001749 0.014704 2.191722 2.030583 -0.126916 -0.445390 1.791299 0.199631 2.753286 -0.000000 52 H 3.978820 -0.425950 6.155642 0.154411 1.468606 0.12338365E+02 0.13425598E+03 2.090239 2.008060 -1.175509 2.278088 0.998835 3.974575 11.508742 0.459307 1.225538 -0.720535 0.018039 -0.014785 -0.021588 0.031781 -0.008182 -0.007763 -0.000634 0.000464 0.000356 -0.011568 0.000558 0.011011 2.130496 2.470430 -0.249653 -0.549569 1.804659 0.254302 2.116399 0.000000 53 H 3.407562 1.189964 6.882609 0.145501 1.591684 0.13794311E+02 0.15327918E+03 2.143752 2.077007 -1.291513 2.213158 0.998471 4.019045 11.497486 0.470019 1.172755 -0.733564 0.002696 0.032866 -0.002223 0.033051 0.002589 -0.000520 -0.010413 -0.026018 -0.003745 -0.012675 -0.006521 0.019195 2.175961 1.920923 0.228860 -0.079866 2.893698 -0.051306 1.713263 0.000000 54 H 2.159239 -0.086344 6.355149 0.161285 1.673333 0.14256813E+02 0.16027861E+03 2.248589 2.133657 -1.395729 2.170102 0.997351 4.074563 11.856616 0.454983 1.197451 -0.727254 -0.029496 -0.004342 -0.016188 0.033925 0.003622 0.007633 -0.005956 0.004781 0.018529 -0.012031 0.000303 0.011728 2.286269 3.052604 0.177059 0.399970 1.849441 0.042040 1.956761 0.000001 55 H -3.849860 6.276379 7.992398 0.137273 1.523608 0.13132874E+02 0.14541031E+03 2.140845 2.069118 -1.430912 2.153261 0.995742 4.238840 12.454441 0.452511 1.222480 -0.719685 -0.009254 0.009157 0.029567 0.032306 0.006529 -0.010456 0.006978 0.004998 0.016780 -0.016323 0.002636 0.013687 2.176176 1.964864 -0.198792 -0.403468 1.877956 0.337249 2.685710 -0.000000 56 H -3.493309 4.775834 6.950055 0.157534 1.592344 0.13601697E+02 0.15085278E+03 2.167892 2.078611 -1.316988 2.215360 0.996498 3.959950 11.377769 0.463619 1.191200 -0.729525 -0.000619 -0.034954 -0.002967 0.035085 0.006159 -0.004334 -0.000941 -0.017175 -0.046658 -0.016749 -0.001744 0.018492 2.223372 1.823107 -0.089312 0.044997 3.149565 -0.138562 1.697444 -0.000000 57 H -4.196562 6.309564 6.163660 0.141020 1.740845 0.14956721E+02 0.17114956E+03 2.339236 2.205980 -1.609584 2.069486 0.995901 4.432369 13.257720 0.438701 1.220108 -0.719728 -0.021027 0.008324 -0.024969 0.033688 0.002627 0.008144 -0.007476 0.028847 -0.022300 -0.018185 -0.002335 0.020519 2.416156 2.582122 -0.398365 0.687518 2.100847 -0.407525 2.565498 0.000000 58 H 12.600082 -4.175521 8.920130 0.141403 1.627761 0.13913297E+02 0.15586294E+03 2.220352 2.117627 -1.432560 2.150848 0.997361 4.194938 12.287225 0.452369 1.208649 -0.723716 0.019011 0.026414 0.005651 0.033031 0.011922 0.010800 0.007265 -0.006248 0.004682 -0.014719 -0.005316 0.020035 2.284166 2.085646 0.450818 0.059398 3.006969 0.220772 1.759882 0.000000 59 H 4.004203 10.015017 9.189127 0.162360 1.573391 0.13284955E+02 0.14632806E+03 2.134185 2.040530 -1.264275 2.226584 0.998498 3.955252 11.288238 0.473131 1.175323 -0.732709 0.021527 -0.022583 0.011120 0.033122 -0.003992 0.008615 -0.000700 0.007158 0.004128 -0.008028 -0.003505 0.011533 2.173048 2.249580 -0.612351 0.172279 2.509511 -0.168159 1.760053 0.000000 60 H 2.418739 10.868398 9.662034 0.158940 1.566438 0.13537959E+02 0.15053568E+03 2.177572 2.103026 -1.160414 2.284597 0.998220 3.974160 11.574964 0.449627 1.225088 -0.721703 -0.021938 -0.003210 0.023690 0.032447 0.002048 -0.004363 0.001968 0.020460 0.014120 -0.013122 0.002174 0.010947 2.194328 2.334988 -0.093405 -0.619374 1.907377 0.102162 2.340618 0.000000 61 H -2.384519 9.529910 10.274390 0.153066 1.620162 0.13835766E+02 0.15398545E+03 2.182565 2.086610 -1.368506 2.190362 0.997366 4.012558 11.519895 0.466357 1.180078 -0.731804 0.015967 0.023157 0.016037 0.032379 0.012179 0.002332 0.000100 -0.022368 -0.005050 -0.016001 -0.001432 0.017433 2.241201 1.934689 0.444490 0.267261 2.539949 0.601779 2.248966 0.000000 62 H -3.887973 9.153780 9.242895 0.136804 1.543439 0.13330780E+02 0.14807261E+03 2.154741 2.080945 -1.444160 2.146401 0.995667 4.248153 12.479138 0.452679 1.218140 -0.720724 -0.026904 0.013439 -0.011437 0.032175 -0.001889 0.007721 -0.011108 0.002402 -0.022226 -0.016120 0.002207 0.013914 2.191005 2.535935 -0.407442 0.455984 1.942194 -0.213121 2.094886 -0.000000 63 H -2.269595 8.311854 8.871393 0.139468 1.744835 0.14992849E+02 0.17172483E+03 2.345166 2.210210 -1.643116 2.054012 0.995835 4.452598 13.339305 0.437666 1.221839 -0.719229 0.022419 -0.010028 -0.022647 0.033407 0.001642 -0.016597 -0.005765 -0.008497 0.027222 -0.018838 -0.001763 0.020601 2.423660 2.343963 -0.296942 -0.682402 2.069644 0.411616 2.857373 0.000000 64 H 9.194496 2.097289 13.144214 0.143200 1.613694 0.13904589E+02 0.15528213E+03 2.184672 2.100560 -1.372713 2.177362 0.997835 4.115761 11.921135 0.460892 1.189990 -0.728683 -0.019963 -0.025521 0.007630 0.033288 0.009925 -0.008072 -0.002544 0.013386 -0.034841 -0.014087 -0.005889 0.019976 2.231357 2.218855 0.655354 0.019640 2.574674 -0.053953 1.900542 0.000000 65 H -9.011646 3.682775 12.170732 0.156727 1.524019 0.13033379E+02 0.14359984E+03 2.136217 2.060702 -1.137009 2.291881 0.998592 3.975137 11.536442 0.454993 1.221813 -0.721962 -0.014734 0.020505 -0.019253 0.031752 -0.003495 0.000822 -0.010036 0.007353 0.011636 -0.012426 0.001458 0.010968 2.160733 2.047472 -0.238559 0.510204 2.024751 -0.339166 2.409976 0.000000 66 H -8.582186 3.684120 13.982019 0.162491 1.580820 0.13303374E+02 0.14677145E+03 2.150240 2.049015 -1.297054 2.212758 0.998219 3.983879 11.427452 0.469101 1.183477 -0.730498 -0.004704 0.017729 0.027391 0.032965 -0.001522 -0.006815 0.005358 0.008417 0.003268 -0.008477 -0.002256 0.010733 2.188545 1.759447 0.042825 0.024870 2.076125 0.588132 2.730064 0.000000 67 H -5.127795 9.949665 6.894086 0.139165 1.723540 0.14752136E+02 0.16838571E+03 2.331491 2.196382 -1.606623 2.070371 0.995458 4.445963 13.322368 0.437586 1.226287 -0.718148 -0.019108 0.013272 0.023424 0.033014 0.005155 -0.003200 0.016084 0.000965 0.027607 -0.018160 -0.001499 0.019659 2.410548 2.342305 -0.227035 -0.688533 1.963624 0.350177 2.925714 0.000000 68 H -4.091894 10.543972 5.465934 0.152233 1.626816 0.13952904E+02 0.15551739E+03 2.182295 2.090583 -1.354789 2.194582 0.997587 4.019405 11.523952 0.467832 1.174632 -0.733119 0.011011 0.026127 -0.015163 0.032152 0.015314 0.001811 -0.002165 -0.010466 -0.006584 -0.015642 -0.001665 0.017307 2.234892 1.961701 0.455539 -0.354173 2.513173 -0.525417 2.229802 0.000000 69 H -3.583855 9.025862 6.415991 0.137326 1.558541 0.13487808E+02 0.15014284E+03 2.164302 2.090253 -1.430744 2.153063 0.995803 4.229443 12.407101 0.452955 1.214752 -0.721769 0.026197 -0.016825 0.010140 0.032744 -0.001541 0.013838 -0.000337 0.003940 -0.024695 -0.016667 0.001982 0.014685 2.200253 2.511242 -0.475712 0.373471 2.042909 -0.259417 2.046609 0.000000 70 H 11.655705 1.941413 1.576406 0.159351 1.601665 0.13756642E+02 0.15243126E+03 2.143195 2.064839 -1.220196 2.246567 0.998697 3.921866 11.126062 0.475613 1.162227 -0.736787 0.005434 -0.005020 -0.033052 0.033869 -0.006785 -0.000542 0.008957 -0.004473 0.031944 -0.013596 -0.002032 0.015628 2.180535 1.718291 0.007297 -0.112763 1.787619 0.017744 3.035696 0.000000 71 H 11.124976 1.042508 3.117754 0.138586 1.611230 0.13415032E+02 0.14966836E+03 2.245190 2.106569 -1.439360 2.146976 0.997417 4.299683 12.776590 0.442565 1.240483 -0.715419 -0.007370 -0.030355 0.007459 0.032116 -0.004728 -0.005058 -0.001070 -0.024405 -0.029651 -0.014256 -0.003773 0.018029 2.343315 1.833989 0.407785 -0.188868 3.053122 -0.613939 2.142833 0.000000 72 H 12.572704 2.211546 3.173723 0.163090 1.666328 0.14629148E+02 0.16585285E+03 2.279908 2.196759 -1.222220 2.264457 0.997319 3.985014 11.719711 0.436742 1.237021 -0.719954 0.031538 0.005376 0.011050 0.033848 -0.002590 0.005570 0.007186 0.012043 -0.018185 -0.013462 0.002574 0.010888 2.287216 2.857376 0.158768 0.465098 1.942264 -0.022650 2.062009 0.000000 73 H 3.817794 -4.434346 14.650345 0.138505 1.523944 0.12813655E+02 0.14363232E+03 2.282272 2.147883 -1.802808 1.989340 0.992629 4.763695 14.958055 0.404713 1.350142 -0.689196 -0.002193 0.013243 -0.028902 0.031867 0.004492 -0.003385 -0.006264 -0.018202 0.022278 -0.014045 0.000159 0.013887 2.392322 1.755929 0.030900 -0.050178 2.086449 -0.548772 3.334587 -0.000000 74 H 9.615970 3.466094 0.459700 0.134135 1.341358 0.11644314E+02 0.12667681E+03 2.048505 2.012599 -1.448769 2.134531 0.996621 4.500153 13.650469 0.431609 1.304463 -0.699335 0.023383 0.009137 0.013809 0.028652 0.000348 0.008725 0.002756 -0.003586 -0.011692 -0.011086 0.003039 0.008047 2.062055 2.265804 0.348785 0.421959 1.842309 0.161626 2.078052 -0.000000 75 H 7.770766 3.660932 0.611571 0.155183 1.588579 0.14203108E+02 0.16193275E+03 2.278354 2.212083 -1.547523 2.094021 0.995752 4.518284 13.904663 0.415819 1.291965 -0.702959 -0.025819 0.013770 0.012470 0.031808 -0.003110 -0.002962 0.002323 -0.000269 -0.022335 -0.008389 0.000637 0.007752 2.311266 2.306406 -0.392510 -0.507905 2.172759 0.357438 2.454634 -0.000001 76 H -0.290697 3.863330 14.777061 0.156916 1.625696 0.13514048E+02 0.14907312E+03 2.160565 2.042381 -1.286127 2.218192 0.997746 3.931625 11.127427 0.479703 1.157496 -0.737566 0.018813 0.010447 -0.025409 0.033297 -0.001360 -0.006172 -0.004237 0.013440 -0.004078 -0.009761 -0.000862 0.010623 2.214286 2.127392 0.064057 -0.536987 1.750289 -0.239422 2.765178 -0.000000 77 H 3.864946 10.400937 0.028142 0.162235 1.531488 0.13344138E+02 0.14826981E+03 2.152871 2.091940 -1.324992 2.201752 0.997991 4.105389 12.064861 0.448234 1.229813 -0.718950 0.001141 -0.033813 0.000570 0.033837 -0.004409 -0.000271 -0.000478 -0.012572 -0.046040 -0.015362 0.000006 0.015356 2.164952 1.832581 -0.182134 0.001261 2.786851 -0.031444 1.875425 -0.000001 78 H 4.472023 11.920231 0.916413 0.157729 1.620623 0.13500387E+02 0.14873943E+03 2.150280 2.037449 -1.325159 2.208098 0.998345 3.898136 10.990744 0.482134 1.153077 -0.738993 0.019362 0.012289 0.024470 0.033536 -0.000737 0.006288 0.004750 0.012376 -0.006050 -0.009818 -0.000721 0.010539 2.198589 2.133853 0.089717 0.532072 1.763247 0.266291 2.698666 -0.000000 79 H -6.098595 1.756864 14.810548 0.136698 1.368066 0.11353286E+02 0.12341238E+03 2.126800 2.024966 -1.658300 2.058552 0.992891 4.556588 14.068027 0.416029 1.354394 -0.688978 0.002680 0.017558 -0.026314 0.031748 0.007214 -0.000655 -0.011446 0.005306 0.010152 -0.014602 0.001041 0.013561 2.202836 1.687202 0.135182 -0.061278 2.115448 -0.667207 2.805857 -0.000000 80 H -5.161172 0.405956 15.683412 0.160893 1.621049 0.15025690E+02 0.17348744E+03 2.299557 2.269894 -1.604074 2.073821 0.995511 4.499237 13.867799 0.412538 1.285903 -0.704809 0.028056 -0.021220 -0.000706 0.035185 -0.006080 -0.000160 0.000431 0.005169 -0.052776 -0.017600 0.002193 0.015406 2.292175 2.753859 -0.442989 -0.040645 2.083312 0.024592 2.039353 -0.000001 81 H -1.315964 9.714102 0.949271 0.136372 1.382152 0.11436394E+02 0.12456491E+03 2.142421 2.032831 -1.674495 2.050803 0.993023 4.576991 14.153425 0.415006 1.355017 -0.688776 0.003908 0.016299 0.027294 0.032030 0.007878 0.001343 0.011463 0.004770 0.012693 -0.014763 0.000245 0.014518 2.226050 1.705081 0.148902 0.095216 2.075102 0.657584 2.897967 -0.000000 82 H 7.272958 8.400623 0.184729 0.162660 1.529394 0.13310839E+02 0.14786206E+03 2.154001 2.091783 -1.325139 2.202668 0.997889 4.107317 12.083555 0.447297 1.232705 -0.718263 -0.029890 -0.015442 0.004468 0.033939 0.002529 -0.002213 -0.002595 0.014419 -0.043232 -0.014969 -0.000111 0.015081 2.166628 2.700599 0.290879 -0.183592 1.890343 -0.093525 1.908941 -0.000001 83 H 3.436368 1.491283 14.712288 0.154800 1.634307 0.13531755E+02 0.14978079E+03 2.187463 2.057083 -1.373260 2.176651 0.997327 4.032845 11.549809 0.471871 1.172683 -0.732891 -0.003004 0.017931 -0.027042 0.032586 -0.008683 0.000441 -0.006772 -0.002130 0.002916 -0.010900 -0.000395 0.011296 2.253976 1.819555 -0.163263 0.130893 2.012929 -0.541071 2.929444 -0.000001 84 H 8.384796 9.749755 0.824599 0.159952 1.629029 0.13726331E+02 0.15143815E+03 2.143082 2.045309 -1.216253 2.253564 0.998523 3.817564 10.674154 0.485770 1.142864 -0.742690 0.003723 0.025097 0.021722 0.033400 -0.003142 0.002096 0.008263 -0.007459 -0.014662 -0.010520 -0.000340 0.010860 2.173670 1.768219 -0.058355 0.037552 2.230041 0.600557 2.522751 0.000000 85 H 6.498922 8.953443 5.905668 0.136620 1.433271 0.11847962E+02 0.13032314E+03 2.201185 2.073172 -1.744488 2.019384 0.992348 4.664113 14.541176 0.409327 1.360373 -0.687411 0.017825 -0.027299 0.000581 0.032608 -0.005653 0.005988 0.004058 -0.016701 -0.032662 -0.015454 -0.000260 0.015714 2.302722 2.326973 -0.758460 0.104605 2.901793 -0.067871 1.679401 -0.000000 86 H 5.688864 10.089326 4.673093 0.160366 1.612420 0.14838983E+02 0.17082283E+03 2.292885 2.256570 -1.587227 2.080902 0.995618 4.490440 13.826950 0.413466 1.286840 -0.704574 -0.002194 0.005400 -0.034086 0.034581 0.007475 0.001613 -0.001202 -0.009431 0.041131 -0.015828 0.001977 0.013851 2.292727 2.043798 -0.105432 0.301593 1.926861 -0.075879 2.907522 -0.000001 87 H 4.849184 9.723906 6.293835 0.136416 1.347019 0.11334034E+02 0.12298029E+03 2.092899 2.014682 -1.607920 2.077890 0.993719 4.522240 13.886340 0.420335 1.342950 -0.691399 -0.028593 -0.003556 0.010474 0.030658 0.005785 -0.003373 0.007531 0.015390 -0.010296 -0.014192 0.002791 0.011401 2.146703 2.933665 0.103068 -0.399952 1.779027 -0.006940 1.727418 -0.000000 88 H -1.137614 -1.257215 13.738649 0.162275 1.527276 0.13199922E+02 0.14643562E+03 2.158361 2.087511 -1.324741 2.203597 0.997710 4.115458 12.129781 0.445978 1.237991 -0.716946 0.006702 0.027591 0.017797 0.033510 0.004940 0.002692 0.006366 -0.017890 0.025284 -0.014483 0.000302 0.014181 2.178622 1.810435 -0.009557 0.067367 2.497391 0.507349 2.228041 -0.000001 89 H -0.564025 -3.017902 13.548260 0.152964 1.643698 0.13582365E+02 0.15085143E+03 2.212505 2.072841 -1.415067 2.156346 0.996809 4.111883 11.891165 0.464884 1.186282 -0.728989 0.020391 -0.022577 0.013018 0.033091 -0.007222 0.001285 -0.006203 0.000304 0.024486 -0.011986 0.000118 0.011868 2.289816 2.469633 -0.703406 0.309626 2.343455 -0.323784 2.056361 -0.000001 90 H -2.379431 -2.615403 13.458018 0.161802 1.635334 0.13922195E+02 0.15376377E+03 2.136973 2.052918 -1.151181 2.285029 0.998884 3.743386 10.388197 0.488532 1.135185 -0.745783 -0.029633 -0.013454 0.008613 0.033664 0.009582 -0.003698 -0.002960 0.009028 0.007405 -0.011847 0.000097 0.011750 2.152127 2.767653 0.188911 -0.322378 1.763319 -0.099013 1.925410 0.000000 91 H 1.747383 0.939177 9.803056 0.136715 1.430109 0.11815954E+02 0.12990954E+03 2.200045 2.071972 -1.745483 2.019300 0.992267 4.662725 14.543037 0.408887 1.362481 -0.687006 0.017745 -0.027779 -0.000440 0.032966 -0.005508 -0.006150 -0.003479 -0.016458 -0.032161 -0.015243 -0.000120 0.015363 2.301881 2.321139 -0.754533 -0.109744 2.904016 0.077165 1.680488 -0.000000 92 H 0.097951 1.721263 9.437686 0.135157 1.367549 0.11540420E+02 0.12587650E+03 2.118496 2.035920 -1.647720 2.059069 0.993086 4.580768 14.136117 0.416919 1.346887 -0.690395 -0.029135 -0.003944 -0.009585 0.030924 0.005754 0.003309 -0.007186 0.015914 -0.014802 -0.014105 0.001757 0.012348 2.176028 2.988976 0.098354 0.404345 1.794368 0.001027 1.744741 -0.000000 93 H 0.957197 2.071591 11.051510 0.160681 1.611164 0.14822896E+02 0.17061261E+03 2.292812 2.256202 -1.591018 2.079607 0.995599 4.491171 13.833811 0.413213 1.287817 -0.704352 -0.002077 0.005327 0.034083 0.034559 0.007841 -0.001537 0.001157 -0.009617 0.042206 -0.016352 0.002158 0.014194 2.292773 2.036929 -0.101338 -0.284461 1.924103 0.067979 2.917287 -0.000001 94 H 4.098140 4.912715 2.190807 0.153819 1.639846 0.13553022E+02 0.15012492E+03 2.194466 2.059921 -1.385262 2.170839 0.997215 4.049180 11.613379 0.470970 1.174076 -0.732431 0.017412 -0.025274 -0.012253 0.033047 -0.006600 -0.000877 0.006265 -0.004012 0.021332 -0.011026 -0.000347 0.011373 2.265844 2.342268 -0.690523 -0.267858 2.429964 0.336589 2.025300 -0.000001 95 H 3.720017 6.722997 1.978251 0.162517 1.528002 0.13262168E+02 0.14721241E+03 2.154334 2.089035 -1.327486 2.201770 0.997833 4.106905 12.084806 0.447165 1.233980 -0.717951 0.009661 0.026815 -0.018019 0.033721 0.006743 -0.003239 -0.006544 -0.016289 0.025229 -0.014812 0.000083 0.014729 2.169992 1.853761 0.083873 -0.134474 2.422680 -0.490287 2.233534 -0.000001 96 H 2.335513 5.508610 2.250864 0.160627 1.635772 0.13820536E+02 0.15262013E+03 2.145788 2.050425 -1.194077 2.264273 0.998615 3.794445 10.587643 0.486211 1.140760 -0.743608 -0.030656 -0.010375 -0.009293 0.033672 0.007342 0.004293 0.002758 0.010581 0.009320 -0.010623 -0.000214 0.010837 2.173661 2.858133 0.091428 0.346817 1.723061 0.069886 1.939790 0.000000 97 C 10.227235 -0.397419 5.093804 0.355709 26.818854 0.32952938E+03 0.73213238E+04 8.323116 6.442400 -0.192351 1.973647 0.999532 24.881272 72.489024 0.583684 0.472316 -1.018165 0.013681 0.025502 0.015214 0.032695 0.021583 -0.017811 0.014087 0.007838 0.008640 -0.036158 0.013329 0.022829 9.586771 6.704489 -0.301302 2.707988 12.248067 3.521172 9.807758 0.000000 98 C 10.587759 0.704956 6.021379 -0.437529 35.295489 0.59132132E+03 0.14893441E+05 8.871669 7.664118 0.149447 1.993626 0.997316 33.390684 96.793056 0.652834 0.372505 -1.103061 -0.001775 -0.015399 -0.023513 0.028162 0.003666 0.013153 0.038831 -0.020082 -0.027961 -0.040079 -0.005563 0.045642 9.564678 7.958272 0.106037 0.845923 10.162259 1.007071 10.573502 0.000000 99 C -2.355671 10.831527 3.046849 0.359822 26.128777 0.33118920E+03 0.73592981E+04 8.152324 6.443723 -0.220282 1.962425 0.999483 24.840549 72.114553 0.586296 0.470142 -1.020469 -0.030164 0.010400 -0.004028 0.032160 -0.011143 0.013613 0.014427 0.024239 0.064408 -0.033509 0.003791 0.029718 9.035477 13.521459 0.764347 1.119168 8.384647 -1.247141 5.200325 0.000000 100 C -3.781859 11.098314 2.708834 -0.445310 34.312668 0.57883625E+03 0.14487469E+05 8.691163 7.581845 0.287658 2.042649 0.997756 33.017132 95.110011 0.657119 0.372413 -1.104191 0.017288 -0.000440 -0.001046 0.017325 -0.004500 0.023629 0.005510 0.055634 -0.110569 -0.044310 -0.008324 0.052634 9.128873 11.155893 0.603165 -0.492513 7.873552 -0.538980 8.357174 -0.000000 101 C 8.263038 0.765800 10.627812 0.359215 26.730335 0.32837499E+03 0.72914423E+04 8.317669 6.441125 -0.219308 1.966099 0.999472 24.844654 72.431540 0.582208 0.473789 -1.017071 0.016071 0.027860 -0.012243 0.034415 0.010740 -0.019026 0.009935 -0.038132 0.012068 -0.035181 0.012754 0.022427 9.569458 11.212441 2.131207 -1.861014 7.735743 -4.120491 9.760191 0.000000 102 C 9.056447 1.611824 9.700237 -0.437556 35.336835 0.59196008E+03 0.14917020E+05 8.881440 7.668466 0.129231 1.987008 0.997114 33.445873 97.051017 0.652470 0.372525 -1.102790 -0.012086 -0.009136 0.025230 0.029430 0.010215 -0.025943 -0.032861 0.014311 -0.020597 -0.041412 -0.004937 0.046349 9.572379 9.575823 1.010662 -0.474879 8.609158 -1.228902 10.532155 0.000000 103 C 5.885706 -4.871115 12.674767 0.363980 26.007530 0.32902458E+03 0.73004756E+04 8.140005 6.432375 -0.224769 1.963442 0.999486 24.739825 71.809697 0.585380 0.471569 -1.019521 0.021051 -0.020822 0.010314 0.031354 -0.016410 -0.008268 -0.018419 0.005519 0.076731 -0.035657 0.002942 0.032715 9.025264 8.921496 -1.746436 1.660615 13.004719 -0.391354 5.149578 0.000000 104 C 6.805150 -5.993530 13.012782 -0.443801 34.236760 0.57653771E+03 0.14415546E+05 8.672694 7.559365 0.310585 2.050156 0.997915 32.978287 94.949723 0.659065 0.371684 -1.104735 -0.008731 0.015950 0.002477 0.018351 -0.025474 0.005853 -0.019915 -0.020901 -0.123466 -0.046295 -0.006040 0.052335 9.116719 8.099231 -1.028603 0.253438 10.877431 0.674025 8.373494 -0.000000 105 C 11.407677 -1.594374 9.002197 0.358072 26.770078 0.32882768E+03 0.73034635E+04 8.321498 6.441919 -0.211317 1.968030 0.999490 24.864815 72.482398 0.582710 0.473253 -1.017435 -0.026984 -0.021036 -0.000041 0.034215 0.006774 0.012850 -0.022437 -0.002955 -0.057819 -0.035960 0.012942 0.023018 9.580572 13.905855 2.451727 0.860943 6.404299 2.466943 8.431562 0.000000 106 C 10.032600 -2.095892 8.750651 -0.437043 35.321825 0.59150445E+03 0.14902533E+05 8.878235 7.664203 0.132996 1.988201 0.997096 33.434135 97.004281 0.652825 0.372398 -1.102894 0.028657 -0.001233 0.006308 0.029369 0.027024 0.010548 0.005468 0.066848 -0.004406 -0.042316 -0.004283 0.046599 9.572125 11.469291 0.265371 0.287347 8.802517 0.900679 8.444566 0.000000 107 C -2.014306 2.578026 8.175240 0.355459 26.356703 0.33419193E+03 0.74454826E+04 8.205948 6.474838 -0.242883 1.952812 0.999508 24.998878 72.754942 0.584408 0.470428 -1.019946 0.007637 0.003606 -0.029329 0.030521 -0.009800 -0.005081 -0.004084 0.053818 0.019554 -0.032518 0.006188 0.026330 9.106510 6.118685 2.021911 -2.732167 9.567084 -1.486929 11.633761 0.000000 108 C -1.470089 2.833606 6.812176 -0.446243 34.736797 0.58369163E+03 0.14652307E+05 8.765891 7.597342 0.242039 2.024220 0.997963 33.296690 96.331484 0.657980 0.370827 -1.104406 -0.000063 -0.009324 0.015030 0.017687 0.022082 -0.034145 -0.009699 -0.019931 0.113215 -0.050376 -0.006620 0.056996 9.250507 8.040930 0.067051 -0.667604 9.819232 -1.570313 9.891359 -0.000000 109 C 6.646076 1.225697 6.719419 0.359107 26.752908 0.32863194E+03 0.72987619E+04 8.322226 6.443890 -0.231609 1.961999 0.999517 24.855472 72.477154 0.582035 0.473825 -1.017026 -0.005684 -0.033605 0.000252 0.034083 0.004011 0.023677 -0.001641 -0.008754 -0.061961 -0.034750 0.013796 0.020955 9.574728 6.001716 -1.792464 -1.738640 14.281127 -1.923884 8.441342 0.000000 110 C 6.867219 -0.221183 6.970965 -0.437517 35.327767 0.59171428E+03 0.14905229E+05 8.883300 7.674015 0.144565 1.992769 0.997182 33.376176 96.744747 0.651501 0.373220 -1.102576 -0.011207 0.024193 -0.002955 0.026826 -0.010998 0.000083 -0.012669 -0.077493 -0.021959 -0.036718 -0.010132 0.046851 9.578580 9.186592 -0.929774 -0.650186 11.117196 -0.666897 8.431951 0.000000 111 C 7.973672 7.484278 7.546376 0.360774 26.078563 0.33051022E+03 0.73401762E+04 8.142230 6.438182 -0.215845 1.964440 0.999471 24.804971 71.982921 0.586424 0.470298 -1.020422 -0.001717 0.008664 0.030940 0.032176 -0.031638 -0.000697 0.006768 -0.009993 0.011562 -0.034354 0.003097 0.031257 9.019641 6.970090 2.520529 -0.049763 8.582689 3.056401 11.506145 0.000000 112 C 7.936199 8.084327 8.909440 -0.443030 34.214208 0.57661969E+03 0.14416994E+05 8.672371 7.565269 0.302858 2.048126 0.997812 32.951973 94.848011 0.658158 0.372212 -1.104429 -0.005296 -0.005824 -0.015998 0.017830 0.005931 -0.001538 0.027114 -0.045264 0.107299 -0.041679 -0.009844 0.051524 9.107884 9.220981 0.730100 0.978764 8.373088 1.404451 9.729582 0.000000 113 C -6.881249 9.237182 9.002197 0.355964 26.868858 0.33033021E+03 0.73474418E+04 8.346804 6.459633 -0.233477 1.959891 0.999522 24.951212 72.859312 0.581326 0.473695 -1.016887 -0.009632 -0.034304 0.001743 0.035673 0.003433 -0.023551 0.002053 -0.008768 -0.061392 -0.034535 0.014195 0.020341 9.606943 6.046121 -1.814777 1.730088 14.278302 1.955656 8.496406 0.000000 114 C -6.660102 7.790306 8.750651 -0.436908 35.349496 0.59301383E+03 0.14953805E+05 8.887203 7.677354 0.111573 1.980586 0.997194 33.502155 97.323824 0.651673 0.372726 -1.102377 -0.014377 0.023377 0.008066 0.028605 -0.015255 0.005387 0.013790 -0.078093 -0.007771 -0.042253 -0.004222 0.046475 9.569187 9.185675 -0.922622 0.644715 11.092334 0.676538 8.429550 0.000000 115 C 3.228880 -0.527234 8.175240 0.359132 26.158961 0.33136520E+03 0.73647640E+04 8.160917 6.447047 -0.211571 1.965161 0.999474 24.854345 72.180695 0.585879 0.470377 -1.020262 -0.003028 0.008698 -0.030826 0.032172 -0.032094 0.000119 -0.005416 -0.011746 0.014739 -0.035368 0.004502 0.030867 9.050195 7.039168 2.522627 0.073655 8.597728 -3.061866 11.513690 0.000000 116 C 3.191422 0.072841 6.812176 -0.443529 34.185004 0.57642304E+03 0.14410703E+05 8.662215 7.559061 0.302095 2.047666 0.997905 32.960464 94.864804 0.659078 0.371728 -1.104799 -0.005359 -0.006047 0.016479 0.018353 0.003555 0.000698 -0.027229 -0.044542 0.106269 -0.040401 -0.010904 0.051305 9.094195 9.188566 0.743931 -0.908390 8.383455 -1.398481 9.710563 0.000000 117 C -2.119622 6.417153 6.719419 0.352349 26.961892 0.33172344E+03 0.73836348E+04 8.350044 6.461195 -0.205431 1.967109 0.999509 25.000735 72.946890 0.583084 0.471934 -1.018188 -0.027061 -0.019724 -0.000791 0.033495 0.005669 -0.012382 0.021658 0.002975 -0.057201 -0.035064 0.014831 0.020233 9.620341 13.861664 2.443625 -0.863010 6.527057 -2.486730 8.472302 0.000000 118 C -3.494701 5.915630 6.970965 -0.438201 35.278761 0.59247579E+03 0.14932723E+05 8.863574 7.665691 0.134690 1.987957 0.997348 33.464250 97.101613 0.653393 0.371932 -1.103270 0.026986 0.001807 -0.008427 0.028329 0.025534 -0.010544 -0.006686 0.060995 -0.006236 -0.038942 -0.005103 0.044044 9.543342 11.444820 0.254147 -0.269098 8.762820 -0.901299 8.422387 0.000000 119 C 2.730486 10.589538 7.546376 0.356237 26.322751 0.33363053E+03 0.74286608E+04 8.194756 6.466838 -0.228330 1.957817 0.999520 24.964510 72.595809 0.585210 0.470056 -1.020311 0.007850 0.002451 0.029831 0.030944 -0.008941 0.006094 0.001960 0.056171 0.021907 -0.033331 0.005873 0.027458 9.097013 6.134539 2.023126 2.742611 9.580693 1.482827 11.575807 0.000000 120 C 3.274688 10.845092 8.909440 -0.448254 34.510911 0.58170825E+03 0.14582676E+05 8.725259 7.595315 0.263562 2.033231 0.997762 33.162069 95.717583 0.656987 0.371893 -1.104176 -0.002121 -0.010353 -0.014189 0.017692 0.029033 0.029918 0.009014 -0.005714 0.111630 -0.051161 -0.004466 0.055627 9.179142 7.999482 0.070163 0.733743 9.703262 1.570657 9.834683 -0.000000 121 C -3.300108 7.614035 10.627812 0.356521 26.848541 0.33013445E+03 0.73416478E+04 8.341470 6.457182 -0.228478 1.961511 0.999529 24.939300 72.805994 0.581536 0.473616 -1.016978 0.018558 0.028388 -0.009843 0.035315 0.021009 0.017672 -0.012843 0.002040 0.013797 -0.035061 0.013847 0.021214 9.601571 6.769571 -0.333472 -2.709435 12.251370 -3.589532 9.783773 0.000000 122 C -2.939573 8.716427 9.700237 -0.436254 35.266293 0.59154037E+03 0.14906012E+05 8.868390 7.663785 0.121528 1.984474 0.997110 33.455082 97.123412 0.652823 0.372335 -1.102767 -0.000417 -0.015827 0.024073 0.028813 -0.002720 -0.018074 -0.036756 -0.028580 -0.008851 -0.040886 -0.004897 0.045783 9.548417 7.969724 0.145631 -0.842003 10.222291 -0.992532 10.453235 0.000000 123 C -7.100513 2.819931 12.674767 0.357075 26.257370 0.33286222E+03 0.74065210E+04 8.178494 6.458558 -0.222568 1.960315 0.999532 24.924505 72.430527 0.585758 0.469935 -1.020482 -0.029363 0.010613 0.005470 0.031698 -0.011689 -0.014403 -0.015169 0.023545 0.058823 -0.033726 0.004695 0.029030 9.070020 13.569763 0.779762 -1.101466 8.399647 1.269851 5.240650 0.000000 124 C -8.526704 3.086711 13.012782 -0.446721 34.342721 0.57952014E+03 0.14510140E+05 8.694752 7.584561 0.280154 2.039787 0.997746 33.059168 95.276608 0.657173 0.372240 -1.104222 0.017519 -0.000299 0.002789 0.017742 -0.002792 -0.023350 -0.004413 0.056239 -0.118698 -0.046061 -0.007727 0.053789 9.130400 11.151429 0.594989 0.476005 7.895718 0.536364 8.344052 -0.000000 125 C -5.264243 8.777358 5.093804 0.357323 26.803702 0.32953126E+03 0.73247897E+04 8.332855 6.452048 -0.229004 1.961880 0.999525 24.912802 72.708489 0.581671 0.473729 -1.016931 0.016086 0.029928 0.009895 0.035389 0.010391 0.019933 -0.009823 -0.036286 0.016114 -0.035354 0.013781 0.021573 9.587133 11.257997 2.131494 1.846005 7.741541 4.100046 9.761863 0.000000 126 C -4.470844 9.623364 6.021379 -0.436341 35.250850 0.59186730E+03 0.14916467E+05 8.865563 7.666562 0.124082 1.984992 0.997129 33.470710 97.179330 0.652614 0.372399 -1.102708 -0.014376 -0.007897 -0.024120 0.029169 0.011002 0.022025 0.033795 0.021836 -0.011559 -0.041349 -0.003744 0.045094 9.537863 9.563508 1.032960 0.483132 8.594316 1.208849 10.455764 0.000000 127 C 10.630548 3.140482 3.046849 0.356966 26.300315 0.33324191E+03 0.74191185E+04 8.198177 6.468580 -0.236739 1.955742 0.999501 24.951445 72.594138 0.584284 0.470858 -1.019702 0.019752 -0.020374 -0.007968 0.029474 -0.017819 0.010998 0.017257 0.007043 0.052134 -0.034786 0.009167 0.025618 9.100162 8.942167 -1.784509 -1.696166 13.116044 0.356532 5.242274 0.000000 128 C 11.549996 2.018073 2.708834 -0.446602 34.700667 0.58308081E+03 0.14631904E+05 8.758378 7.593202 0.245404 2.025455 0.997977 33.276857 96.230804 0.658236 0.370811 -1.104512 -0.008129 0.014550 -0.004136 0.017173 -0.026866 -0.018935 0.013957 -0.029269 -0.127417 -0.049220 -0.007409 0.056630 9.240858 8.260711 -1.009969 -0.206962 11.002520 -0.728582 8.459342 -0.000000 129 C 8.450473 1.680814 0.000000 0.377608 27.639205 0.32364250E+03 0.71397590E+04 8.483710 6.374119 -0.144820 1.996500 0.999350 24.274290 69.879211 0.589769 0.470767 -1.021634 -0.011437 0.028628 -0.000024 0.030828 -0.004622 -0.000718 0.000096 0.037882 -0.137463 -0.045827 0.003414 0.042413 10.081711 4.295982 1.424360 -0.002907 15.771626 -0.008308 10.177523 0.000000 130 C 8.609853 3.190182 0.000000 -0.434442 36.540617 0.62651947E+03 0.15994828E+05 9.088057 7.871361 0.250737 2.033042 0.996661 33.295970 96.878362 0.646941 0.370848 -1.105319 -0.008989 -0.024755 -0.001175 0.026363 0.015572 0.007464 -0.002424 -0.070699 -0.051052 -0.033758 -0.013389 0.047147 9.933306 6.910405 1.022784 -0.072564 12.579831 -0.028658 10.309681 -0.000001 131 C 2.539750 12.087760 0.000000 0.398463 25.936210 0.30426644E+03 0.66105601E+04 8.101226 6.168547 -0.170414 1.990957 0.999445 23.832742 68.121499 0.601145 0.468968 -1.022449 0.029966 -0.009145 -0.000019 0.031330 0.023139 -0.000098 -0.000055 -0.041474 -0.127504 -0.042502 -0.009820 0.052322 9.182963 12.033176 -3.467770 0.002957 5.622452 0.000089 9.893259 -0.000000 132 C 3.910857 11.539773 0.000000 -0.454271 35.660067 0.57341375E+03 0.14304906E+05 8.891583 7.527725 0.365464 2.066001 0.998543 32.898695 94.331258 0.662519 0.370587 -1.106562 -0.016210 0.010917 0.000222 0.019545 -0.022744 -0.000472 -0.000490 0.054049 -0.078919 -0.026399 -0.022077 0.048476 9.496409 11.266708 -2.073681 -0.000121 7.689916 -0.000941 9.532603 -0.000002 133 C -2.587813 8.218203 0.000000 0.377968 27.530193 0.32222961E+03 0.70994219E+04 8.453939 6.354537 -0.132654 2.000839 0.999326 24.227963 69.656082 0.591582 0.469930 -1.022289 0.029629 0.004388 -0.000075 0.029952 -0.020296 0.000127 -0.000127 -0.020010 -0.140770 -0.046924 0.000834 0.046090 10.039345 11.851732 5.563158 -0.003685 8.099382 -0.000894 10.166923 0.000000 134 C -1.340837 9.083446 0.000000 -0.434900 37.044835 0.63683004E+03 0.16326692E+05 9.179962 7.942483 0.247330 2.027800 0.997309 33.497856 97.713483 0.643148 0.371467 -1.104713 -0.022900 -0.016570 -0.000033 0.028267 0.044585 0.000520 -0.000295 0.015553 -0.009028 -0.043761 -0.003003 0.046763 10.030677 10.518043 2.955243 -0.005439 9.254979 0.007571 10.319010 -0.000001 135 C 9.379159 8.037143 0.000000 0.398725 25.929342 0.30431421E+03 0.66123976E+04 8.101914 6.170782 -0.172651 1.990302 0.999444 23.836682 68.155070 0.600731 0.469234 -1.022221 -0.022686 0.021691 -0.000280 0.031388 0.029804 -0.000251 -0.000913 -0.016005 -0.126872 -0.042303 -0.009711 0.052013 9.176410 10.012729 -4.563159 0.009128 7.625233 -0.008024 9.891267 -0.000000 136 C 8.239597 8.976091 0.000000 -0.454950 35.662565 0.57408119E+03 0.14327250E+05 8.891333 7.531307 0.359461 2.064141 0.998519 32.918407 94.439423 0.662396 0.370509 -1.106503 0.017679 -0.009390 -0.000177 0.020019 -0.035058 0.000766 -0.002328 0.009599 -0.077177 -0.026209 -0.022098 0.048308 9.486525 10.249459 -2.620240 0.004476 8.679662 -0.021110 9.530454 -0.000002 137 C 6.558211 11.073443 6.414419 0.378012 27.555986 0.32251960E+03 0.71078621E+04 8.461595 6.358918 -0.134551 2.000121 0.999335 24.239200 69.712961 0.591128 0.470156 -1.022101 -0.009934 -0.016068 -0.023508 0.030158 0.025157 -0.009333 -0.014918 -0.027004 0.109066 -0.046731 0.001495 0.045236 10.051135 11.152035 1.666943 2.209062 12.996413 3.719039 6.004958 0.000000 138 C 5.855037 9.886144 5.782410 -0.435758 37.001555 0.63580898E+03 0.16294208E+05 9.171072 7.933656 0.246646 2.027989 0.997204 33.489471 97.674654 0.643796 0.371237 -1.104868 0.013523 0.022034 0.009911 0.027688 0.019217 0.009626 0.026324 -0.019763 -0.095731 -0.042207 -0.004977 0.047184 10.023921 10.776085 0.779814 1.051019 11.717114 1.675971 7.578562 -0.000001 139 C -1.214731 -2.051056 11.747191 0.398647 25.947533 0.30446493E+03 0.66173004E+04 8.109332 6.174586 -0.175227 1.989511 0.999454 23.847520 68.221677 0.600140 0.469580 -1.021908 -0.003030 -0.006147 0.030533 0.031293 0.039716 0.004631 0.006724 -0.046971 -0.025319 -0.041935 -0.009530 0.051465 9.187743 8.432144 -2.479466 -0.579444 5.715368 -0.989427 13.415717 -0.000001 140 C -1.330512 -2.246551 13.206157 -0.454620 35.773814 0.57613095E+03 0.14393258E+05 8.913642 7.545503 0.323095 2.052523 0.998499 32.959192 94.648962 0.661579 0.370584 -1.106290 0.001112 -0.000880 -0.019683 0.019734 0.000631 -0.002862 -0.012195 -0.006350 0.140820 -0.026762 -0.022435 0.049197 9.515145 8.833706 -1.224355 -0.283409 7.541208 -0.495655 12.170520 -0.000002 141 C 1.813406 3.061910 9.307197 0.375552 27.758522 0.32507960E+03 0.71824294E+04 8.516605 6.393185 -0.162065 1.989965 0.999345 24.366051 70.293458 0.587961 0.471494 -1.020810 -0.009141 -0.015390 0.025086 0.030817 0.024518 0.008208 0.013851 -0.027672 0.103785 -0.045450 0.002722 0.042728 10.125777 11.240824 1.705265 -2.228244 13.094734 -3.740946 6.041771 0.000000 142 C 1.110225 1.874599 9.939206 -0.434854 37.033651 0.63573023E+03 0.16294998E+05 9.180534 7.933505 0.234715 2.024328 0.997089 33.507752 97.801307 0.643630 0.371269 -1.104620 0.013309 0.021447 -0.009155 0.026850 0.019509 -0.011149 -0.025409 -0.019587 -0.104756 -0.044321 -0.004062 0.048383 10.041351 10.804628 0.791487 -1.030845 11.720557 -1.681700 7.598867 -0.000001 143 C 3.530101 5.960523 3.974425 0.398422 25.947994 0.30440897E+03 0.66150303E+04 8.106492 6.171832 -0.173368 1.990017 0.999453 23.840943 68.172183 0.600661 0.469248 -1.022204 -0.003325 -0.006242 -0.030483 0.031293 0.040318 -0.004057 -0.006206 -0.046632 -0.026111 -0.042228 -0.009604 0.051832 9.188115 8.432193 -2.476668 0.573785 5.712977 0.993112 13.419175 -0.000001 144 C 3.414336 5.765056 2.515459 -0.454282 35.691440 0.57400778E+03 0.14325092E+05 8.897234 7.530118 0.358589 2.063897 0.998509 32.918350 94.441045 0.662536 0.370439 -1.106544 0.000007 -0.001180 0.019510 0.019546 0.000964 0.004459 0.012588 -0.007265 0.140114 -0.027262 -0.022021 0.049283 9.502062 8.828206 -1.211210 0.279199 7.522434 0.499363 12.155545 -0.000002 145 N 9.264432 -0.329312 4.158367 -0.266497 37.765320 0.56767168E+03 0.14045585E+05 9.449540 7.763006 -0.022321 2.013490 0.995751 28.842729 80.838848 0.621827 0.398102 -1.093154 0.049409 -0.116719 -0.007419 0.126963 0.037380 -0.004478 0.051543 -0.042678 0.055069 -0.065635 -0.006566 0.072201 10.684170 8.991972 -2.136210 3.199813 12.871313 0.780126 10.189227 -0.000000 146 N 9.280613 -1.542248 3.564090 -0.042412 30.334742 0.41836405E+03 0.95618757E+04 8.081515 6.591372 0.371637 2.166568 0.998866 25.714124 68.584013 0.688159 0.389429 -1.102531 0.101440 0.080529 0.147832 0.196543 -0.023740 -0.054482 -0.017945 -0.058694 -0.127796 -0.088349 0.029276 0.059073 9.180050 7.280744 -0.765889 2.961389 10.934865 2.031070 9.324541 -0.000000 147 N 1.409098 13.742098 4.114347 -0.028799 29.539700 0.40132785E+03 0.90762741E+04 7.917931 6.435448 0.307563 2.147884 0.999221 25.406132 67.372357 0.699855 0.386981 -1.104441 -0.011967 0.180396 0.065227 0.192199 0.022682 0.012847 -0.021915 0.114365 0.126035 -0.086984 0.034620 0.052364 9.007879 6.956765 -1.378798 2.397582 11.745941 2.009758 8.320930 0.000000 148 N 10.803629 -1.602349 5.087515 -0.255627 37.099438 0.53445906E+03 0.13016030E+05 9.307573 7.505756 0.147696 2.069701 0.997277 28.387527 78.738117 0.636262 0.395281 -1.095939 -0.083436 0.003081 -0.107145 0.135834 0.047770 -0.026316 0.048049 -0.041298 -0.001282 -0.082258 0.015931 0.066327 10.661294 9.317115 -2.813227 3.551786 13.017241 0.990358 9.649526 -0.000000 149 N 8.187347 -0.327677 0.655591 -0.043724 31.483340 0.41875793E+03 0.95599582E+04 8.252499 6.558205 0.321270 2.144403 0.999420 25.713557 68.235788 0.696586 0.385157 -1.107099 0.008972 0.171747 -0.086953 0.192714 -0.002835 0.003604 0.063921 0.069167 -0.006283 -0.083808 0.035701 0.048107 9.682311 4.391544 0.727201 -0.156760 12.808819 -0.773667 11.846572 -0.000000 150 N 8.353121 0.933330 1.108374 -0.250698 37.281187 0.52788166E+03 0.12795798E+05 9.319941 7.437764 0.235471 2.103491 0.997032 28.064585 77.259042 0.642978 0.392988 -1.099276 -0.027744 -0.073176 -0.107492 0.132962 0.002366 -0.012713 -0.003800 -0.054403 -0.249347 -0.084825 0.015836 0.068989 10.955949 4.920142 0.804601 -0.350854 12.565326 -0.147797 15.382380 -0.000000 151 N -1.892001 9.652229 3.499632 -0.266001 35.284976 0.54886793E+03 0.13469816E+05 9.015146 7.627063 0.019928 2.024859 0.996296 28.808964 80.480684 0.627963 0.397446 -1.093332 0.103812 0.083612 -0.007154 0.133489 -0.041492 0.032930 0.030974 0.094230 0.006039 -0.083665 0.014658 0.069006 9.930937 11.492636 1.595206 0.739540 11.726724 -2.087955 6.573450 -0.000001 152 N -0.578811 9.833288 3.663137 -0.047011 30.156935 0.42682880E+03 0.98152853E+04 8.037127 6.655763 0.142049 2.081012 0.998928 26.156796 70.234783 0.684358 0.389200 -1.101461 -0.143290 0.112277 -0.057360 0.190862 0.054965 -0.035376 0.033820 0.018791 0.022589 -0.085135 0.032022 0.053113 8.967979 10.868588 0.288990 1.593989 10.077859 -2.019041 5.957491 -0.000000 153 N -0.243879 11.059052 3.329838 -0.055102 29.755996 0.43452118E+03 0.10024806E+05 7.978201 6.721391 0.207096 2.104512 0.998561 26.143583 70.037514 0.680930 0.389887 -1.102304 -0.193053 -0.048789 -0.016868 0.199836 -0.061148 -0.011585 -0.019938 -0.084635 0.075254 -0.090236 0.024466 0.065770 8.793377 10.704266 1.676578 1.053986 9.960350 -1.525968 5.715514 -0.000000 154 N -1.364484 11.718402 2.954092 -0.244465 35.529563 0.52108015E+03 0.12625501E+05 9.084648 7.420209 0.005142 2.026388 0.996904 28.320256 78.665426 0.637974 0.396241 -1.093933 0.049328 -0.094729 0.041051 0.114420 -0.025298 0.015609 -0.000743 0.127772 0.016072 -0.071455 0.001702 0.069753 10.329499 11.091174 2.853544 0.271942 13.557236 -2.389316 6.340087 -0.000001 155 N 1.815465 12.345721 1.081647 -0.248508 35.091288 0.50599364E+03 0.12153999E+05 8.974921 7.281071 0.153489 2.077922 0.997648 27.956422 76.981872 0.649016 0.392895 -1.097719 -0.074019 0.016961 -0.093099 0.120141 -0.019107 -0.003578 -0.014247 0.033146 -0.217599 -0.075012 0.013398 0.061614 10.318351 9.155860 -2.097103 -0.448400 6.188749 -0.312742 15.610443 -0.000001 156 N 0.625384 12.816801 0.650875 -0.046128 29.577046 0.42571090E+03 0.97625363E+04 7.916716 6.637171 0.311929 2.144421 0.999059 25.771741 68.630445 0.688297 0.388045 -1.104609 0.163879 -0.064717 -0.090133 0.197910 0.013120 0.061533 -0.028803 -0.046605 0.001120 -0.082040 0.024191 0.057849 8.816984 8.280331 -2.042864 -0.638186 6.253782 0.183688 11.916838 -0.000001 157 N 8.785524 -0.045774 11.563249 -0.268242 37.880290 0.57055651E+03 0.14135063E+05 9.465283 7.780924 -0.024118 2.012122 0.995819 28.893596 81.037049 0.621315 0.397919 -1.093264 -0.126451 -0.010467 0.008516 0.127169 0.038971 -0.046950 -0.023710 -0.042132 0.039919 -0.064526 -0.009439 0.073965 10.694173 13.815445 0.442930 0.860657 7.968171 -3.158689 10.298903 -0.000000 158 N 7.714102 -0.614597 12.157526 -0.044041 30.455434 0.42065500E+03 0.96289908E+04 8.105432 6.612444 0.363125 2.163023 0.998823 25.773380 68.832597 0.686471 0.389789 -1.102092 0.021561 0.126985 -0.148391 0.196494 0.011532 -0.010727 0.055039 0.071734 -0.130771 -0.087477 0.027937 0.059540 9.199228 10.772451 1.111636 -0.359546 7.453142 -3.562283 9.372092 -0.000000 159 N 6.628486 -0.170754 11.607269 -0.028829 29.540504 0.40163861E+03 0.90858614E+04 7.919466 6.439673 0.307245 2.147699 0.999225 25.415371 67.425775 0.699281 0.387189 -1.104195 0.163828 0.076367 -0.065165 0.192141 -0.035775 0.025439 -0.001067 -0.099657 0.125461 -0.086712 0.034222 0.052490 9.000667 11.806090 1.247627 -0.610387 6.877236 -3.060337 8.318676 0.000000 160 N 6.929376 0.692094 10.634101 -0.254402 36.883147 0.53143876E+03 0.12923586E+05 9.268881 7.483138 0.215074 2.092631 0.997414 28.326072 78.499087 0.637427 0.395135 -1.096088 0.042827 -0.071335 0.107312 0.135789 0.043901 -0.054013 0.000696 -0.058203 0.002121 -0.082311 0.016435 0.065876 10.601936 14.474440 -0.006495 0.800332 7.766071 -3.587709 9.565297 -0.000000 161 N 9.304622 -0.989563 15.066025 -0.044125 31.565710 0.41975140E+03 0.95891669E+04 8.271284 6.569249 0.315912 2.142681 0.999409 25.731683 68.326927 0.695419 0.385541 -1.106726 0.146825 0.089178 0.087034 0.192575 -0.030424 -0.054949 -0.032783 -0.032468 -0.007011 -0.083659 0.035652 0.048007 9.705707 10.247532 3.946433 0.593387 6.973420 0.494598 11.896168 -0.000000 162 N -7.941361 -0.238079 14.613242 -0.252160 37.477586 0.53085696E+03 0.12880595E+05 9.334200 7.445590 0.235846 2.101232 0.997488 28.101988 77.293866 0.644608 0.391608 -1.100706 -0.048882 -0.063578 0.108929 0.135267 0.022250 -0.003612 0.017341 0.027074 -0.249886 -0.086280 0.018391 0.067889 10.974838 10.093829 3.649981 -0.045970 7.386923 0.330149 15.443762 -0.000000 163 N 4.628707 -5.031341 12.221984 -0.267911 35.336539 0.55000932E+03 0.13503463E+05 9.017149 7.630179 0.027812 2.026349 0.996505 28.841824 80.562486 0.628493 0.396945 -1.093788 0.023803 0.131904 0.008024 0.134274 -0.060831 -0.006194 -0.044209 0.017205 0.011522 -0.080787 0.010673 0.070115 9.930659 10.372032 0.941459 2.116079 12.885488 0.363141 6.534457 -0.000001 164 N 4.156294 -3.792760 12.058479 -0.049912 30.267123 0.42831444E+03 0.98579896E+04 8.056425 6.665463 0.142408 2.080186 0.998947 26.209630 70.406720 0.684150 0.388982 -1.101618 0.168035 -0.071262 0.055091 0.190655 0.021195 -0.043454 0.015170 -0.103307 0.019859 -0.082518 0.028549 0.053970 8.995811 10.047512 -0.176902 2.503685 10.942702 -0.450711 5.997219 -0.000000 165 N 5.070191 -2.909896 12.391778 -0.053819 29.699028 0.43361206E+03 0.99982657E+04 7.967493 6.714480 0.209532 2.105991 0.998516 26.111631 69.924932 0.681284 0.389901 -1.102330 0.049683 -0.193039 0.017861 0.200129 0.002585 0.013397 0.018656 0.146796 0.080789 -0.089845 0.024641 0.065203 8.778027 8.732188 0.589511 1.819179 11.921756 -0.183083 5.680138 -0.000000 166 N 6.186999 -3.575655 12.767524 -0.241777 35.329298 0.51833027E+03 0.12541618E+05 9.050702 7.402740 0.002775 2.027915 0.996528 28.226791 78.338602 0.638483 0.396469 -1.093832 -0.109065 -0.003053 -0.036986 0.115206 -0.066621 0.006903 -0.015370 -0.025784 0.019285 -0.071333 0.002453 0.068880 10.281371 10.523897 2.532666 2.244998 14.028435 0.953097 6.291780 -0.000001 167 N 5.208632 -0.485635 14.639969 -0.247710 35.049453 0.50527967E+03 0.12131363E+05 8.962606 7.272315 0.170778 2.083257 0.997840 27.938540 76.890331 0.649955 0.392505 -1.098101 0.050989 -0.057288 0.092956 0.120509 -0.023147 0.010031 0.010487 0.012126 -0.217496 -0.074903 0.014708 0.060196 10.298065 8.626958 -2.375884 0.062372 6.689362 0.540008 15.577874 -0.000001 168 N 6.193738 -1.302813 15.070741 -0.046777 29.612892 0.42628792E+03 0.97798956E+04 7.926230 6.643820 0.308992 2.143200 0.999065 25.789780 68.711705 0.687561 0.388297 -1.104338 -0.135795 0.112339 0.089846 0.197819 0.026742 0.055247 -0.039435 0.003192 0.001505 -0.081909 0.023822 0.058087 8.827503 8.444936 -1.949300 -0.481109 6.094214 0.467616 11.943360 -0.000001 169 N 12.432715 -1.699317 8.139081 -0.268437 37.914864 0.57065953E+03 0.14138164E+05 9.471990 7.781613 -0.024123 2.012147 0.995788 28.894129 81.038450 0.621293 0.397918 -1.093272 0.044644 0.059612 0.103011 0.127114 0.030825 0.024904 -0.014381 0.066342 -0.153745 -0.064817 -0.008779 0.073596 10.711034 12.196524 0.926604 -0.627086 8.030397 3.583733 11.906181 -0.000000 170 N 13.471664 -1.111278 8.771090 -0.043676 30.452172 0.42028300E+03 0.96181408E+04 8.105515 6.608972 0.364462 2.163615 0.998831 25.763032 68.791775 0.686751 0.389724 -1.102161 -0.188881 -0.027974 0.046102 0.196428 0.005100 0.051065 0.012729 -0.102147 0.085639 -0.087768 0.028457 0.059311 9.207753 12.221857 1.536569 -0.295569 6.478673 2.477765 8.922729 -0.000000 171 N -5.186594 -0.683475 9.931345 -0.028988 29.562265 0.40177617E+03 0.90897644E+04 7.923599 6.440671 0.306263 2.147321 0.999223 25.420733 67.443248 0.699243 0.387177 -1.104202 -0.132210 -0.095269 -0.102131 0.192318 -0.036434 -0.050482 -0.041146 0.012323 -0.039494 -0.086834 0.034382 0.052452 9.009623 11.168085 1.824167 0.512252 6.439286 2.904706 9.421498 0.000000 172 N 11.791715 -0.958271 10.112143 -0.255143 37.018821 0.53365511E+03 0.12991704E+05 9.292872 7.499884 0.151568 2.071265 0.997297 28.370881 78.680405 0.636533 0.395257 -1.095943 0.113023 -0.021641 -0.072579 0.136052 0.036829 0.037598 -0.027549 0.021653 -0.156104 -0.081890 0.015502 0.066388 10.634544 11.955876 1.239799 -0.672976 7.202607 3.823679 12.745148 -0.000000 173 N -2.546502 -3.013195 7.211505 -0.043745 31.526054 0.41922308E+03 0.95735825E+04 8.262496 6.563340 0.318665 2.143598 0.999415 25.720657 68.273461 0.696051 0.385333 -1.106933 -0.002325 -0.174997 -0.080541 0.192656 0.020623 0.011229 -0.040248 0.106269 0.060637 -0.083781 0.035850 0.047931 9.696971 11.075969 -0.625626 1.471752 12.079563 3.001858 5.935382 -0.000000 174 N 5.957546 12.234308 6.711558 -0.251646 37.368747 0.52904379E+03 0.12827195E+05 9.322781 7.437046 0.231880 2.101093 0.997256 28.074899 77.221916 0.644355 0.392049 -1.100262 0.133287 0.011817 0.010888 0.134252 0.055839 0.021584 0.013840 -0.087858 0.084528 -0.086737 0.017716 0.069021 10.964020 14.098482 -1.959809 1.681404 12.605986 2.426714 6.187591 -0.000000 175 N -2.007233 3.478510 9.175135 -0.264168 35.219236 0.54732588E+03 0.13421830E+05 9.000321 7.614726 0.026176 2.027441 0.996371 28.766739 80.318717 0.628704 0.397277 -1.093504 -0.052221 -0.113996 0.049066 0.134647 -0.006203 -0.023240 -0.010746 0.111600 0.165231 -0.084749 0.015993 0.068756 9.908705 6.955771 2.185306 -1.795846 12.568139 0.276276 10.202205 -0.000000 176 N -2.568311 2.852000 10.212762 -0.045352 30.095863 0.42587695E+03 0.97886290E+04 8.030220 6.652128 0.138454 2.081198 0.998806 26.115147 70.122187 0.683912 0.389644 -1.101069 0.039591 -0.050503 -0.180593 0.191656 0.018795 0.023181 -0.054030 0.007016 -0.146292 -0.085812 0.033810 0.052002 8.954953 6.282715 1.572906 -2.294453 10.144585 0.789421 10.437560 -0.000000 177 N -2.905945 1.627845 9.876319 -0.053471 29.674500 0.43338678E+03 0.99924640E+04 7.964180 6.713728 0.210336 2.106555 0.998510 26.105314 69.921687 0.681124 0.390017 -1.102172 0.087466 0.112150 -0.141110 0.200350 -0.042152 0.034249 0.057351 -0.004633 0.059964 -0.090541 0.025376 0.065164 8.772433 6.526014 2.192790 -2.029099 10.751634 -0.130176 9.039652 -0.000000 178 N -2.580737 1.439587 8.576142 -0.245510 35.727660 0.52463405E+03 0.12738392E+05 9.130674 7.454371 -0.024251 2.015963 0.996761 28.417916 79.124527 0.635113 0.397189 -1.092836 -0.003868 0.068568 0.092160 0.114934 -0.023370 -0.036494 -0.028919 0.043231 0.142525 -0.070667 0.001735 0.068932 10.386822 7.030517 3.055883 -1.410233 14.846467 0.449800 9.283481 -0.000001 179 N -2.070438 -1.373276 10.992554 -0.249284 35.167547 0.50755368E+03 0.12203660E+05 8.997054 7.299103 0.130843 2.070902 0.997414 27.987344 77.163405 0.647157 0.393630 -1.096954 0.091513 -0.028171 -0.071271 0.119364 0.029423 -0.007817 -0.002655 -0.063628 0.188202 -0.074991 0.011420 0.063571 10.345410 12.494295 -4.863025 0.065712 8.313154 -0.373132 10.228780 -0.000001 180 N -1.597296 -1.419730 9.728536 -0.046127 29.584833 0.42596691E+03 0.97696213E+04 7.915903 6.637306 0.310091 2.143517 0.999049 25.778583 68.647093 0.688597 0.387828 -1.104792 0.063752 -0.070143 0.173778 0.197947 0.012854 -0.050942 0.046786 0.001353 -0.067401 -0.081960 0.023944 0.058016 8.815276 9.972460 -3.120299 0.598676 6.943251 -0.248951 9.530117 -0.000001 181 N 6.061354 2.074108 7.582535 -0.266059 37.751605 0.56774776E+03 0.14048446E+05 9.446063 7.763156 -0.023722 2.013169 0.995705 28.842942 80.851825 0.621843 0.398064 -1.093141 0.029800 0.067228 -0.103656 0.127091 -0.010871 0.025204 -0.014821 -0.088295 -0.152440 -0.065113 -0.008417 0.073530 10.673105 8.141620 -1.288946 -3.453980 11.962441 -1.188555 11.915253 -0.000000 182 N 6.077646 3.267828 6.950526 -0.043936 30.444019 0.42062242E+03 0.96284278E+04 8.104297 6.613365 0.366763 2.164286 0.998843 25.772006 68.838199 0.686214 0.389928 -1.101951 0.066348 -0.179291 -0.046355 0.196713 0.046121 0.013224 -0.050520 0.044655 0.087351 -0.087463 0.027877 0.059586 9.195922 6.502269 -1.612061 -2.311154 12.138484 -0.939487 8.947014 -0.000000 183 N 6.638412 3.134848 5.790271 -0.029192 29.560563 0.40189688E+03 0.90936265E+04 7.923810 6.442451 0.309012 2.148207 0.999228 25.424589 67.468535 0.698980 0.387274 -1.104078 -0.020035 -0.161508 0.102204 0.192177 -0.024487 0.011890 0.063907 0.054360 -0.040903 -0.086600 0.034439 0.052161 9.005687 5.980813 -1.015261 -2.293801 11.598706 -1.842527 9.437540 -0.000000 184 N 7.019305 1.868230 5.609473 -0.256076 36.979726 0.53342092E+03 0.12984641E+05 9.285013 7.497855 0.154511 2.072296 0.997246 28.375154 78.689369 0.636665 0.395217 -1.095966 -0.071751 0.089105 0.073622 0.136044 0.007817 0.042090 -0.020484 -0.072923 -0.156893 -0.081560 0.015402 0.066157 10.618972 7.218366 -1.312850 -3.660732 11.898217 -1.235828 12.740332 -0.000000 185 N 3.326457 4.330139 8.510111 -0.045822 31.737510 0.42197604E+03 0.96553728E+04 8.310369 6.592538 0.308471 2.139706 0.999395 25.790801 68.599706 0.693068 0.386232 -1.105928 -0.151659 -0.086159 0.081429 0.192495 -0.034295 0.040978 0.008413 -0.089968 0.060425 -0.083327 0.034854 0.048473 9.760841 12.424189 0.113557 -1.942717 10.888941 -2.757066 5.969392 -0.000000 186 N 3.120096 3.093158 9.010058 -0.254145 37.778067 0.53521154E+03 0.13014677E+05 9.383615 7.475371 0.242778 2.101595 0.997731 28.198302 77.680137 0.643320 0.391536 -1.100598 -0.051893 0.125861 -0.008475 0.136403 0.065778 -0.002036 -0.024902 -0.040847 0.084758 -0.084575 0.017751 0.066825 11.042439 14.657049 -1.671334 -1.329171 12.240102 -2.653644 6.230165 -0.000000 187 N 8.759929 7.923318 6.546481 -0.267151 35.328803 0.55005105E+03 0.13506963E+05 9.023932 7.636545 0.013472 2.022352 0.996286 28.841266 80.611557 0.627378 0.397578 -1.093173 -0.068939 -0.104083 -0.046035 0.133060 -0.047102 -0.001337 0.026257 -0.045468 0.173562 -0.082444 0.012254 0.070191 9.934447 9.511250 3.508783 -1.107563 10.126317 1.412075 10.165773 -0.000001 188 N 8.480230 7.130188 5.508854 -0.047862 30.181804 0.42725743E+03 0.98272342E+04 8.039231 6.656897 0.142963 2.080821 0.998956 26.175981 70.285058 0.684667 0.388942 -1.101686 -0.060166 0.007877 0.180633 0.190553 0.009975 0.058382 0.005926 -0.033999 -0.140464 -0.084369 0.030454 0.053915 8.968106 7.957068 2.420866 -1.825618 8.544851 1.639714 10.402399 -0.000000 189 N 7.569035 6.245715 5.845297 -0.054906 29.751205 0.43447564E+03 0.10023559E+05 7.977729 6.721634 0.205657 2.104187 0.998558 26.139541 70.027522 0.680823 0.389956 -1.102248 0.056965 0.128792 0.141138 0.199380 -0.020010 -0.034274 -0.056566 0.075439 0.061735 -0.090094 0.024370 0.065724 8.787945 7.910663 2.955388 -0.870460 9.412025 1.822878 9.041147 -0.000000 190 N 7.247623 6.440382 7.145474 -0.243007 35.416139 0.51947449E+03 0.12575590E+05 9.061184 7.406835 0.012660 2.029369 0.996939 28.274489 78.477461 0.638866 0.396034 -1.094188 0.063400 0.028195 -0.091366 0.114726 -0.031201 0.011112 0.044665 0.015362 0.146967 -0.071797 0.002963 0.068834 10.293498 10.345791 4.891041 -1.099680 11.318293 0.986509 9.216411 -0.000001 191 N 4.535743 5.535906 4.729062 -0.247745 35.072920 0.50535947E+03 0.12133958E+05 8.967768 7.273215 0.174986 2.084612 0.997862 27.939988 76.900632 0.649861 0.392540 -1.098058 -0.067988 0.067297 0.073304 0.120519 0.044159 0.000363 0.006740 -0.016489 0.177537 -0.074633 0.014676 0.059957 10.309286 13.308258 -4.348673 0.331466 7.388301 0.142519 10.231299 -0.000001 192 N 4.267575 5.928458 5.993080 -0.046577 29.623366 0.42637620E+03 0.97827264E+04 7.929713 6.645900 0.310992 2.144109 0.999063 25.785590 68.710226 0.687216 0.388460 -1.104188 -0.091192 0.022261 -0.174086 0.197781 0.006611 -0.065377 0.022493 -0.021149 -0.068801 -0.081950 0.023849 0.058100 8.832506 10.279446 -2.963781 0.507629 6.654215 -0.412297 9.563858 -0.000001 193 N -7.465961 10.085608 8.139081 -0.266642 37.852311 0.56937780E+03 0.14100900E+05 9.466956 7.776311 -0.025599 2.011795 0.995816 28.887863 81.050457 0.620986 0.398270 -1.092843 0.027148 0.067405 0.104460 0.127249 -0.007771 -0.024295 0.012731 -0.091275 -0.151956 -0.064534 -0.008919 0.073453 10.702572 8.213299 -1.336630 3.450984 11.987650 1.221448 11.906769 -0.000000 194 N -7.449676 11.279317 8.771090 -0.042739 30.433099 0.42015621E+03 0.96158334E+04 8.106062 6.611390 0.360886 2.162886 0.998801 25.757960 68.811193 0.686000 0.390127 -1.101725 0.066209 -0.179042 0.046006 0.196357 0.046422 -0.013357 0.050607 0.044923 0.088123 -0.087907 0.028133 0.059775 9.202701 6.514479 -1.628626 2.315698 12.160516 0.940724 8.933109 -0.000000 195 N 1.893601 -4.876697 9.931345 -0.028329 29.595581 0.40204976E+03 0.90988745E+04 7.934416 6.445408 0.305946 2.147486 0.999215 25.424982 67.498599 0.698467 0.387483 -1.103818 -0.020727 -0.161483 -0.101454 0.191831 -0.023968 -0.011768 -0.064202 0.054126 -0.040037 -0.086590 0.034494 0.052096 9.025727 5.998560 -1.040613 2.289673 11.623992 1.861844 9.454629 0.000000 196 N -6.508032 9.879694 10.112143 -0.257015 37.254272 0.53705508E+03 0.13098454E+05 9.340019 7.528103 0.134918 2.065026 0.997237 28.451739 79.040080 0.634631 0.395716 -1.095358 -0.076671 0.088060 -0.071257 0.136787 0.011498 -0.040999 0.019456 -0.077201 -0.156202 -0.081322 0.013184 0.068138 10.697692 7.296612 -1.368880 3.671509 11.939636 1.265899 12.856828 -0.000000 197 N -1.418324 -3.681355 7.211505 -0.045165 31.667066 0.42105010E+03 0.96276119E+04 8.293777 6.582725 0.308962 2.140063 0.999397 25.766471 68.481754 0.694084 0.385930 -1.106292 -0.151805 -0.086024 -0.081403 0.192540 -0.033981 -0.041157 -0.008641 -0.090460 0.059917 -0.083461 0.035104 0.048358 9.736340 12.400535 0.091957 1.930447 10.853872 2.747670 5.954614 -0.000000 198 N 7.864897 11.104685 6.711558 -0.253713 37.647183 0.53334165E+03 0.12955056E+05 9.356086 7.458656 0.252192 2.104973 0.997775 28.154070 77.461095 0.644652 0.391153 -1.101106 -0.052253 0.125684 0.009294 0.136430 0.066283 0.001142 0.024468 -0.040111 0.086019 -0.085269 0.018990 0.066279 11.002995 14.599027 -1.681323 1.327956 12.199462 2.649898 6.210497 -0.000000 199 N 4.015126 -0.088213 9.175135 -0.270486 35.673794 0.55535715E+03 0.13669812E+05 9.082428 7.670809 0.005403 2.017908 0.996511 28.939679 80.978925 0.626289 0.397321 -1.093367 -0.071236 -0.102565 0.047668 0.133665 -0.046231 0.003796 -0.026658 -0.047312 0.173868 -0.081760 0.010424 0.071336 10.017611 9.615210 3.525957 1.066012 10.162983 -1.421770 10.274641 -0.000001 200 N 3.735416 -0.881362 10.212762 -0.047118 30.235503 0.42733455E+03 0.98304527E+04 8.053649 6.659289 0.138366 2.079545 0.998936 26.177999 70.319026 0.684198 0.389152 -1.101425 -0.060487 0.008190 -0.180037 0.190103 0.009589 -0.057756 -0.006282 -0.034453 -0.142475 -0.084244 0.030602 0.053642 8.997142 7.973248 2.432275 1.816912 8.554509 -1.653003 10.463670 -0.000000 201 N 2.824224 -1.765829 9.876319 -0.053858 29.749909 0.43402536E+03 0.10010892E+05 7.980725 6.719475 0.205342 2.104554 0.998556 26.120834 69.976666 0.680709 0.390110 -1.102104 0.056664 0.128782 -0.140758 0.199019 -0.020359 0.034717 0.056659 0.074960 0.061143 -0.090302 0.024400 0.065901 8.799775 7.920653 2.962788 0.863824 9.423917 -1.837209 9.054754 -0.000000 202 N 2.502827 -1.571137 8.576142 -0.242061 35.414989 0.51892534E+03 0.12558924E+05 9.060889 7.402415 0.018889 2.031419 0.997036 28.261612 78.430158 0.639124 0.395980 -1.094230 0.063176 0.028193 0.091350 0.114590 -0.031665 -0.011835 -0.044050 0.014482 0.145850 -0.071830 0.003687 0.068143 10.299889 10.357961 4.895984 1.105728 11.322645 -0.990864 9.219060 -0.000001 203 N -0.209080 -2.475659 10.992554 -0.247542 35.062609 0.50517899E+03 0.12128113E+05 8.963818 7.270419 0.182284 2.086797 0.997941 27.936802 76.878183 0.650209 0.392378 -1.098210 -0.068220 0.066836 -0.073596 0.120571 0.044347 -0.000723 -0.006782 -0.017295 0.175673 -0.074568 0.015160 0.059408 10.303037 13.298040 -4.350787 -0.336814 7.387575 -0.139283 10.223495 -0.000001 204 N -0.477234 -2.083083 9.728536 -0.046709 29.620853 0.42635005E+03 0.97819188E+04 7.929050 6.645584 0.311455 2.144282 0.999066 25.785238 68.707243 0.687254 0.388446 -1.104204 -0.091261 0.022341 0.173893 0.197652 0.006594 0.065478 -0.022550 -0.021491 -0.068679 -0.082101 0.023948 0.058153 8.831221 10.281424 -2.966700 -0.511623 6.655688 0.413927 9.556551 -0.000001 205 N -1.094594 6.312194 7.582535 -0.267632 37.917820 0.57005019E+03 0.14122565E+05 9.481715 7.783155 -0.031333 2.009609 0.995760 28.913876 81.153727 0.620406 0.398501 -1.092619 0.046811 0.058041 -0.102993 0.127152 0.029545 -0.024261 0.014849 0.063188 -0.154649 -0.064678 -0.006851 0.071529 10.728809 12.247817 0.970909 0.596898 8.056116 -3.546410 11.882493 -0.000000 206 N -0.055637 6.900245 6.950526 -0.041257 30.351777 0.41823689E+03 0.95599017E+04 8.091195 6.594140 0.363104 2.164261 0.998817 25.710892 68.617615 0.687305 0.389875 -1.102025 -0.188599 -0.029138 -0.045916 0.196283 0.004781 -0.051221 -0.012397 -0.104824 0.085141 -0.088964 0.029807 0.059157 9.197763 12.235339 1.544607 0.291996 6.458737 -2.469327 8.899212 -0.000000 207 N -0.441783 7.328070 5.790271 -0.028330 29.605041 0.40200382E+03 0.90968335E+04 7.935070 6.443605 0.304018 2.146802 0.999207 25.421052 67.466489 0.698855 0.387310 -1.104030 -0.131771 -0.095793 0.101689 0.192043 -0.036352 0.050659 0.041339 0.011274 -0.039884 -0.087068 0.034846 0.052222 9.034206 11.209456 1.835610 -0.531613 6.456722 -2.911551 9.436439 0.000000 208 N -1.735571 7.053277 5.609473 -0.256715 37.391621 0.53835056E+03 0.13138752E+05 9.368507 7.540090 0.123652 2.061267 0.997137 28.470377 79.133634 0.633721 0.396022 -1.095080 0.113262 -0.023953 0.071734 0.136191 0.038680 -0.037346 0.028004 0.023399 -0.154624 -0.082316 0.014281 0.068035 10.746893 12.050230 1.216773 0.679874 7.314080 -3.888291 12.876371 -0.000000 209 N 2.198280 4.998298 8.510111 -0.043305 31.496650 0.41875827E+03 0.95606597E+04 8.258303 6.560071 0.319990 2.144233 0.999416 25.709719 68.244205 0.696140 0.385376 -1.106862 -0.002790 -0.175133 0.080218 0.192651 0.020412 -0.010660 0.040031 0.107551 0.060862 -0.084025 0.035841 0.048184 9.692809 11.046946 -0.615213 -1.479787 12.092546 -3.008197 5.938935 -0.000000 210 N 1.212745 4.222780 9.010058 -0.250245 37.312701 0.52802131E+03 0.12800572E+05 9.325228 7.438317 0.240740 2.104938 0.997144 28.071376 77.292636 0.642982 0.392943 -1.099261 0.132493 0.012542 -0.011564 0.133586 0.055310 -0.019573 -0.015664 -0.084117 0.086565 -0.084928 0.016552 0.068376 10.966544 14.071505 -1.939285 -1.707569 12.642528 -2.425708 6.185600 -0.000000 211 N 2.737570 11.490040 6.546481 -0.265842 35.320111 0.54893428E+03 0.13469569E+05 9.012723 7.621266 0.035514 2.029181 0.996676 28.804095 80.416952 0.629082 0.396794 -1.093966 -0.053354 -0.113688 -0.050103 0.135211 -0.007369 0.021828 0.010323 0.108403 0.164905 -0.083218 0.016164 0.067053 9.930788 6.980457 2.194771 1.810174 12.592905 -0.259545 10.219003 -0.000001 212 N 2.176503 10.863550 5.508854 -0.045395 30.122417 0.42604822E+03 0.97940365E+04 8.037208 6.654741 0.136130 2.080455 0.998790 26.122060 70.157395 0.683547 0.389794 -1.100909 0.039753 -0.050251 0.180569 0.191600 0.018654 -0.022756 0.053933 0.006601 -0.147319 -0.085687 0.033495 0.052192 8.968207 6.287705 1.582148 2.296698 10.165282 -0.784608 10.451634 -0.000000 213 N 1.838866 9.639389 5.845297 -0.053818 29.700849 0.43374176E+03 0.10002605E+05 7.968821 6.716011 0.211762 2.106750 0.998518 26.115864 69.954711 0.681085 0.389962 -1.102221 0.087505 0.112387 0.141078 0.200477 -0.041735 -0.034021 -0.057272 -0.004142 0.060444 -0.090090 0.025021 0.065069 8.782676 6.533213 2.201242 2.030114 10.772199 0.130820 9.042617 -0.000000 214 N 2.164060 9.451106 7.145474 -0.245335 35.679875 0.52330265E+03 0.12697075E+05 9.123021 7.444529 -0.019517 2.018334 0.996667 28.379591 78.971128 0.635627 0.397148 -1.092943 -0.005670 0.069431 -0.090491 0.114199 -0.022412 0.035169 0.029260 0.041750 0.154565 -0.070706 -0.000319 0.071024 10.383842 7.042053 3.058812 1.416041 14.854268 -0.461490 9.255204 -0.000001 215 N 2.674385 6.638289 4.729062 -0.248848 35.141821 0.50697671E+03 0.12185594E+05 8.990454 7.293321 0.136182 2.072581 0.997480 27.976135 77.104207 0.647670 0.393454 -1.097143 0.091775 -0.027841 0.071506 0.119628 0.029633 0.007247 0.002433 -0.064268 0.186841 -0.075103 0.012096 0.063007 10.338780 12.485126 -4.854588 -0.065405 8.300981 0.378227 10.230233 -0.000001 216 N 3.147514 6.591811 5.993080 -0.046341 29.591550 0.42601616E+03 0.97709643E+04 7.917210 6.637738 0.309268 2.143186 0.999047 25.781334 68.653593 0.688572 0.387834 -1.104796 0.063524 -0.070193 -0.174018 0.198102 0.012718 0.050883 -0.046812 0.001580 -0.067719 -0.081913 0.023851 0.058063 8.818272 9.972561 -3.119410 -0.601458 6.942360 0.251019 9.539895 -0.000001 217 N -4.262920 7.682124 11.563249 -0.267212 37.920761 0.57047485E+03 0.14134638E+05 9.477768 7.782976 -0.027775 2.010870 0.995836 28.902571 81.106239 0.620829 0.398186 -1.092918 0.052486 -0.115341 0.010329 0.127142 0.040093 0.001444 -0.051692 -0.041759 0.033821 -0.064491 -0.008906 0.073398 10.721543 8.928795 -2.240829 -3.182605 12.865542 -0.763164 10.370293 -0.000000 218 N -4.246746 6.469177 12.157526 -0.043250 30.470958 0.42047500E+03 0.96248521E+04 8.112901 6.613305 0.359616 2.162228 0.998800 25.768030 68.841866 0.686000 0.390057 -1.101786 0.100730 0.080078 -0.148378 0.196405 -0.023828 0.053589 0.017487 -0.057810 -0.132566 -0.087949 0.028350 0.059599 9.216820 7.284168 -0.798248 -2.965071 10.953854 -2.033219 9.412437 -0.000000 219 N -3.335732 5.730521 11.607269 -0.029085 29.619095 0.40241085E+03 0.91090016E+04 7.938081 6.447940 0.305671 2.147092 0.999213 25.438744 67.540227 0.698396 0.387439 -1.103859 -0.011583 0.180538 -0.064826 0.192173 0.023316 -0.013074 0.021915 0.114742 0.122383 -0.086863 0.034747 0.052117 9.031625 6.973594 -1.411757 -2.393107 11.750989 -2.026090 8.370293 0.000000 220 N -2.723714 6.409105 10.634101 -0.257215 37.226907 0.53678625E+03 0.13089654E+05 9.333483 7.525394 0.137886 2.065943 0.997250 28.447669 79.010092 0.634879 0.395629 -1.095468 -0.080550 0.004691 0.110512 0.136833 0.048854 0.024673 -0.047474 -0.043210 -0.007728 -0.081512 0.013591 0.067920 10.688813 9.388384 -2.867624 -3.541506 12.983994 -1.025246 9.694060 -0.000000 221 N -5.340045 7.683694 15.066025 -0.046305 31.696673 0.42151096E+03 0.96408155E+04 8.299219 6.586718 0.310707 2.140331 0.999400 25.782555 68.534658 0.693810 0.385976 -1.106256 0.007855 0.171998 0.086544 0.192704 -0.003066 -0.002176 -0.063878 0.068362 -0.004618 -0.083431 0.035067 0.048363 9.743919 4.418043 0.743800 0.139913 12.900402 0.755033 11.913311 -0.000000 222 N 3.608258 -7.078303 14.613242 -0.253128 37.550574 0.53134445E+03 0.12893571E+05 9.335615 7.441264 0.269917 2.110721 0.997901 28.129189 77.336636 0.645893 0.390795 -1.101433 -0.030924 -0.075786 0.108621 0.136008 0.002386 0.015699 0.006826 -0.046205 -0.247207 -0.085071 0.020236 0.064835 10.980165 4.933691 0.813206 0.311299 12.608433 0.099232 15.398370 -0.000000 223 N -6.636838 1.640641 12.221984 -0.267318 35.406710 0.55102013E+03 0.13535001E+05 9.030400 7.637960 0.025677 2.025180 0.996698 28.858548 80.639141 0.628054 0.397026 -1.093691 0.105663 0.082289 0.009409 0.134256 -0.040903 -0.034468 -0.029909 0.090938 0.008941 -0.082395 0.014030 0.068365 9.945750 11.557387 1.577597 -0.725480 11.709427 2.077123 6.570434 -0.000001 224 N -5.323646 1.821703 12.058479 -0.046186 30.147120 0.42653951E+03 0.98076856E+04 8.038209 6.655813 0.138210 2.080240 0.998889 26.145753 70.218468 0.683950 0.389470 -1.101190 -0.143421 0.111872 0.058053 0.190933 0.055309 0.035174 -0.033849 0.018090 0.024850 -0.085411 0.032505 0.052907 8.967233 10.893405 0.274145 -1.587118 10.068032 2.019192 5.940260 -0.000000 225 N -4.988718 3.047460 12.391778 -0.054510 29.735050 0.43427581E+03 0.10017958E+05 7.974583 6.719825 0.209582 2.105582 0.998560 26.133509 70.011574 0.680943 0.389925 -1.102252 -0.193079 -0.048859 0.017009 0.199890 -0.061066 0.011520 0.019502 -0.085082 0.075646 -0.090262 0.024679 0.065583 8.786246 10.707402 1.672387 -1.048408 9.939919 1.531972 5.711417 -0.000000 226 N -6.109327 3.706804 12.767524 -0.244383 35.591860 0.52180896E+03 0.12649882E+05 9.102217 7.430181 -0.004520 2.023439 0.996796 28.340235 78.788695 0.636814 0.396751 -1.093381 0.048913 -0.094575 -0.041046 0.114113 -0.025815 -0.016280 0.000680 0.127651 0.014335 -0.071318 0.000902 0.070415 10.351974 11.115707 2.872281 -0.261280 13.578727 2.409385 6.361489 -0.000001 227 N -2.929399 4.334087 14.639969 -0.248572 35.122151 0.50634341E+03 0.12164743E+05 8.980801 7.283859 0.158091 2.079236 0.997702 27.963394 77.013484 0.648842 0.392925 -1.097677 -0.074240 0.016889 0.093086 0.120258 -0.018789 0.003925 0.014353 0.033077 -0.217039 -0.074896 0.013650 0.061246 10.327190 9.164748 -2.100252 0.456563 6.195252 0.314795 15.621570 -0.000001 228 N -4.119484 4.805159 15.070741 -0.046413 29.613927 0.42627013E+03 0.97789656E+04 7.924993 6.642690 0.309421 2.143418 0.999055 25.783929 68.684651 0.687803 0.388181 -1.104467 0.163955 -0.064859 0.090212 0.198055 0.012902 -0.061532 0.029038 -0.046305 0.002103 -0.081932 0.023713 0.058218 8.827732 8.289038 -2.044358 0.642536 6.263434 -0.184878 11.930723 -0.000001 229 N -4.741746 7.965801 4.158367 -0.267875 37.893793 0.57035822E+03 0.14129393E+05 9.467504 7.778591 -0.019481 2.013279 0.995908 28.901549 81.065993 0.621505 0.397819 -1.093297 -0.126823 -0.008792 -0.010831 0.127588 0.039168 0.045664 0.023722 -0.046272 0.033188 -0.064517 -0.008818 0.073335 10.702597 13.827465 0.440879 -0.853562 7.928094 3.162490 10.352233 -0.000000 230 N -5.813161 7.396990 3.564090 -0.043475 30.474926 0.42078980E+03 0.96342426E+04 8.114252 6.616953 0.358215 2.161711 0.998796 25.775961 68.879792 0.685601 0.390195 -1.101645 0.021780 0.127096 0.148124 0.196389 0.011536 0.010683 -0.055078 0.071103 -0.132623 -0.087663 0.028121 0.059542 9.213549 10.768126 1.106127 0.353695 7.449204 3.577688 9.423317 -0.000000 231 N 11.373316 7.840822 4.114347 -0.028758 29.602016 0.40234385E+03 0.91070345E+04 7.933708 6.447047 0.304775 2.146771 0.999217 25.436545 67.530995 0.698507 0.387396 -1.103898 0.163861 0.077023 0.064510 0.192209 -0.035797 -0.025580 0.001112 -0.100562 0.122386 -0.086671 0.034417 0.052253 9.020397 11.814428 1.240198 0.620201 6.875953 3.070914 8.370810 -0.000000 232 N -6.597905 8.703652 5.087515 -0.256907 37.234598 0.53703813E+03 0.13097974E+05 9.337182 7.528921 0.132026 2.064316 0.997201 28.445565 79.023467 0.634476 0.395814 -1.095286 0.042821 -0.067580 -0.110765 0.136637 0.044611 0.053612 0.001684 -0.059231 -0.008585 -0.081515 0.013065 0.068450 10.689774 14.570415 -0.033915 -0.805698 7.792591 3.596217 9.706315 -0.000000 233 N -4.222609 7.022079 0.655591 -0.044733 31.618036 0.42032866E+03 0.96061294E+04 8.282573 6.574807 0.314603 2.142090 0.999406 25.747503 68.393422 0.694926 0.385663 -1.106583 0.146910 0.088983 -0.086958 0.192515 -0.030356 0.055096 0.032679 -0.032108 -0.006965 -0.083640 0.035492 0.048148 9.723714 10.267649 3.958608 -0.599349 6.988946 -0.493204 11.914547 -0.000000 234 N -3.196497 7.773554 1.108374 -0.253288 37.579443 0.53229890E+03 0.12923927E+05 9.348935 7.453722 0.239674 2.101687 0.997585 28.133211 77.396597 0.644533 0.391401 -1.100887 -0.048927 -0.064429 -0.109202 0.135904 0.022068 0.003441 -0.017718 0.027271 -0.248553 -0.085957 0.018372 0.067585 10.996912 10.117128 3.662835 0.041442 7.407664 -0.329618 15.465944 -0.000000 235 N 9.373544 2.980247 3.499632 -0.263781 35.208529 0.54669819E+03 0.13400534E+05 8.995382 7.607797 0.030329 2.029805 0.996159 28.721031 80.133244 0.629405 0.397010 -1.093856 0.020072 0.133899 -0.017858 0.136568 -0.059476 0.009111 0.046651 0.017633 0.023029 -0.083501 0.015494 0.068007 9.902602 10.364436 0.887043 -2.134291 12.910588 -0.353119 6.432783 -0.000001 236 N 8.901129 4.218825 3.663137 -0.045438 30.107117 0.42597141E+03 0.97917817E+04 8.034645 6.654731 0.137705 2.081542 0.998698 26.111352 70.125774 0.683460 0.389863 -1.100865 0.167724 -0.072138 -0.061173 0.192555 0.021753 0.044252 -0.012611 -0.104327 0.032585 -0.084121 0.032427 0.051694 8.959512 10.055563 -0.203502 -2.493026 10.953040 0.382553 5.869933 -0.000000 237 N 9.815030 5.101696 3.329838 -0.052353 29.620528 0.43262421E+03 0.99708260E+04 7.956190 6.710019 0.220141 2.110820 0.998427 26.074810 69.833454 0.680954 0.390272 -1.101955 0.049029 -0.194072 -0.019820 0.201148 0.003707 -0.011027 -0.017400 0.147380 0.080839 -0.089785 0.025740 0.064046 8.759492 8.698515 0.551173 -1.854212 11.905874 0.137133 5.674086 -0.000000 238 N 10.931842 4.435943 2.954092 -0.245304 35.657976 0.52380954E+03 0.12712505E+05 9.116238 7.447617 -0.023945 2.016595 0.996656 28.389954 79.010820 0.635559 0.397093 -1.092976 -0.109748 -0.002346 0.037001 0.115841 -0.065024 -0.008659 0.015690 -0.025275 0.016426 -0.069128 0.000692 0.068437 10.364781 10.554324 2.530624 -2.269832 14.162639 -0.978205 6.377380 -0.000001 239 N 9.953496 7.525999 1.081647 -0.248870 35.148070 0.50711100E+03 0.12189419E+05 8.990499 7.293357 0.138567 2.073212 0.997510 27.979196 77.110191 0.647803 0.393354 -1.097231 0.049878 -0.056351 -0.093117 0.119724 -0.025552 -0.011346 -0.009587 0.014735 -0.217009 -0.074899 0.012055 0.062844 10.337163 8.640317 -2.372533 -0.043395 6.708707 -0.560470 15.662466 -0.000001 240 N 10.938607 6.708829 0.650875 -0.047096 29.643380 0.42689123E+03 0.97965884E+04 7.928155 6.645491 0.302581 2.140580 0.999028 25.805064 68.748412 0.687987 0.387943 -1.104658 -0.135363 0.112988 -0.090264 0.198084 0.026284 -0.054877 0.039955 0.004592 0.002681 -0.081606 0.023198 0.058408 8.830879 8.436716 -1.945539 0.466827 6.105232 -0.476018 11.950688 -0.000001 241 Cl 6.068195 -0.778349 3.347918 -0.466605 129.930108 0.38753266E+04 0.14733594E+06 17.439466 16.906622 1.294534 2.067090 0.999166 73.834413 217.408026 0.582464 0.276590 -1.259551 -0.150707 0.009128 0.001988 0.150996 0.007248 -0.056392 0.073845 -0.030937 -0.161362 -0.116227 0.027080 0.089147 17.844602 15.510311 0.545435 -3.387823 20.409330 4.065312 17.614165 0.000003 242 Cl 5.948871 2.922974 2.536683 -0.441015 124.855318 0.37214634E+04 0.14003564E+06 16.952823 16.545126 1.283414 2.071771 0.998370 72.634566 212.652750 0.590097 0.275840 -1.260630 -0.107866 -0.036411 -0.108112 0.157000 -0.034416 0.069889 0.056573 -0.085399 -0.024293 -0.118785 0.035741 0.083044 17.316314 15.244097 -4.274195 -0.805078 19.849107 2.374618 16.855738 0.000000 243 Cl 9.928027 -3.064437 12.373698 -0.468664 130.351403 0.39055899E+04 0.14877959E+06 17.475259 16.978392 1.282463 2.062913 0.999203 73.974650 218.055076 0.580914 0.276782 -1.259299 0.080042 -0.124170 -0.006298 0.147867 0.016840 -0.096096 0.012461 0.007835 -0.152600 -0.117684 0.023596 0.094087 17.846653 18.875604 2.365128 -5.168927 17.157364 1.059775 17.506990 0.000003 244 Cl -5.040996 -1.390040 13.184933 -0.445381 126.254894 0.38105659E+04 0.14426710E+06 17.091067 16.772054 1.274710 2.067388 0.998593 73.011341 214.545368 0.584405 0.276831 -1.259257 0.022239 -0.099181 0.113924 0.152676 0.023034 -0.019886 -0.085892 0.113613 -0.037592 -0.119677 0.029732 0.089944 17.388247 22.401662 -0.279331 -2.512920 12.745246 -0.567404 17.017835 0.000001 245 Cl 14.156929 -0.378436 5.617805 -0.468838 130.780895 0.39125010E+04 0.14909559E+06 17.518136 16.991936 1.282936 2.063032 0.999212 73.968103 218.011485 0.580809 0.276734 -1.259464 0.024372 0.057987 -0.134912 0.148855 0.047845 0.083509 -0.038271 0.023838 0.049271 -0.113652 0.019621 0.094031 17.919512 19.703895 1.892552 5.255667 17.725431 -0.834631 16.329210 0.000003 246 Cl 4.480549 12.543340 3.629021 -0.444032 125.723779 0.37676710E+04 0.14222094E+06 17.037196 16.661033 1.289886 2.072514 0.998539 72.831032 213.605160 0.587291 0.276288 -1.260043 0.135869 0.011854 -0.068742 0.152729 0.045414 0.003658 0.062386 0.144274 0.041788 -0.118806 0.032368 0.086438 17.383857 17.936237 -0.044226 3.728189 13.997429 2.601090 20.217906 0.000001 247 Cl 6.390874 4.220927 10.103811 -0.467695 130.177206 0.38937616E+04 0.14822105E+06 17.461926 16.951431 1.286160 2.064194 0.999201 73.930053 217.865817 0.581421 0.276742 -1.259306 0.039638 0.054097 0.133041 0.148988 0.023384 0.070411 -0.054634 -0.108669 0.039124 -0.118084 0.025704 0.092380 17.845029 16.559201 0.101472 3.336186 20.620532 -4.181644 16.355355 0.000003 248 Cl 4.100977 1.946442 12.092595 -0.442548 125.617007 0.37643914E+04 0.14208880E+06 17.036368 16.660297 1.258351 2.064065 0.998279 72.832986 213.715594 0.586866 0.276504 -1.259596 -0.059465 0.124527 0.068712 0.154157 -0.036980 -0.050650 -0.032366 -0.148392 0.046483 -0.115585 0.032384 0.083202 17.378037 14.773853 -1.652371 -0.581101 17.014497 -4.565391 20.345760 0.000000 249 Cl -7.136412 12.232475 5.617805 -0.469209 130.679941 0.39171267E+04 0.14934139E+06 17.511311 17.008011 1.257641 2.055819 0.999086 74.044607 218.409216 0.580127 0.276930 -1.259027 0.039220 0.053412 -0.129419 0.145397 0.024755 -0.069201 0.053363 -0.115632 0.039064 -0.119185 0.026954 0.092231 17.889170 16.571993 0.120248 -3.378066 20.662327 4.241153 16.433189 0.000003 250 Cl 8.845813 9.958027 3.629021 -0.444290 126.134435 0.37997688E+04 0.14376080E+06 17.082493 16.747310 1.257800 2.063101 0.998390 72.968451 214.368485 0.584869 0.276799 -1.259254 -0.063023 0.122534 -0.068117 0.153708 -0.035876 0.053036 0.038198 -0.149435 0.035630 -0.117555 0.029060 0.088495 17.389564 14.837765 -1.695127 0.540368 17.068452 4.498655 20.262476 0.000001 251 Cl 0.629592 7.633027 10.103811 -0.469816 131.036483 0.39265393E+04 0.14979134E+06 17.549780 17.032152 1.253091 2.054373 0.999080 74.083119 218.595191 0.579521 0.277051 -1.258879 0.027543 0.058771 0.131404 0.146560 0.059045 -0.080814 0.035571 0.026791 0.046070 -0.117827 0.023894 0.093933 17.945781 19.679916 1.820421 -5.325073 17.718776 0.913513 16.438650 0.000003 252 Cl -0.264286 4.531755 12.092595 -0.443678 125.645382 0.37623422E+04 0.14196604E+06 17.028765 16.647478 1.290061 2.072732 0.998515 72.801518 213.460929 0.587638 0.276229 -1.260141 0.135969 0.012709 0.068988 0.152999 0.045085 -0.002707 -0.061284 0.144256 0.042664 -0.118114 0.032850 0.085264 17.375983 17.930137 -0.041020 -3.707858 13.975576 -2.611154 20.222236 0.000001 253 Cl -7.459167 7.233072 12.373698 -0.468783 130.713341 0.39153887E+04 0.14925966E+06 17.516904 17.005136 1.259019 2.056350 0.999080 74.029558 218.358747 0.580125 0.276960 -1.258984 -0.145820 0.011003 -0.006190 0.146365 0.006295 0.055121 -0.078289 -0.031355 -0.164182 -0.118646 0.025534 0.093111 17.903740 15.599725 0.525984 3.469169 20.562911 -4.064099 17.548583 0.000003 254 Cl 1.204023 -5.088632 13.184933 -0.440889 124.988830 0.37380203E+04 0.14085193E+06 16.977176 16.596471 1.280771 2.070433 0.998512 72.752417 213.327471 0.588253 0.276326 -1.259744 -0.104426 -0.031911 0.117661 0.160522 -0.035862 -0.067013 -0.055271 -0.089458 -0.015471 -0.117017 0.034374 0.082643 17.323391 15.244880 -4.360877 0.662410 20.033295 -2.429707 16.691997 0.000001 255 Cl -3.599234 4.947154 3.347918 -0.469745 131.097714 0.39304932E+04 0.14996558E+06 17.550299 17.037111 1.259901 2.056291 0.999131 74.063876 218.487301 0.579676 0.276934 -1.259133 0.083004 -0.119936 0.010341 0.146223 0.010048 0.097212 -0.015424 0.010509 -0.136923 -0.115296 0.020112 0.095184 17.940929 19.045754 2.499516 5.194983 17.268546 -1.028617 17.508486 0.000003 256 Cl -0.296148 6.621566 2.536683 -0.444540 126.184153 0.38002959E+04 0.14377451E+06 17.084321 16.745683 1.273420 2.067416 0.998520 72.952647 214.262770 0.585089 0.276707 -1.259457 0.020854 -0.098395 -0.115555 0.153197 0.022650 0.020059 0.085809 0.110063 -0.035010 -0.118417 0.029338 0.089079 17.401789 22.498182 -0.278152 2.490170 12.731322 0.578292 16.975863 0.000001 257 Cl -2.729412 13.129576 0.000000 -0.451196 131.125950 0.38186178E+04 0.14459738E+06 17.614363 16.794522 1.199686 2.054712 0.996980 72.755358 213.566379 0.583971 0.276988 -1.259521 -0.102379 0.012167 -0.001590 0.103112 0.063024 0.001011 -0.000077 0.088106 0.260028 -0.120233 0.033542 0.086691 18.382609 14.357599 3.703761 -0.015554 16.702942 -0.007256 24.087285 0.000002 258 Cl 12.825373 3.917306 0.000000 -0.455839 131.825636 0.38765278E+04 0.14740217E+06 17.689908 16.944133 1.129546 2.032594 0.997070 73.175549 215.526638 0.579987 0.277733 -1.258176 0.070709 -0.086536 0.006011 0.111913 -0.010432 0.001287 -0.001315 -0.153297 0.289462 -0.125605 0.029082 0.096523 18.402822 13.241791 3.002297 0.064577 18.065970 0.259018 23.900705 0.000002 259 Cl -0.303229 -0.511998 6.682630 -0.455365 131.418722 0.38659887E+04 0.14688840E+06 17.645280 16.915370 1.205737 2.053674 0.997290 73.112375 215.195488 0.580825 0.277545 -1.258500 0.016038 0.043967 -0.098478 0.109033 -0.048305 -0.034110 -0.060849 0.049317 -0.226867 -0.121776 0.029672 0.092104 18.347444 22.980060 -1.934412 -0.440900 20.257803 -0.600350 11.804468 0.000002 260 Cl 4.441546 7.499486 9.038986 -0.452311 131.331854 0.38337439E+04 0.14532647E+06 17.636600 16.833774 1.201443 2.054560 0.997055 72.852159 214.027095 0.582926 0.277186 -1.259185 0.018472 0.036944 0.096581 0.105043 -0.043737 0.033342 0.061448 0.048993 -0.231400 -0.121548 0.032806 0.088742 18.394012 22.883386 -2.021460 0.416993 20.547513 0.611226 11.751137 0.000002 261 Cl 2.609083 9.276339 2.482129 -0.438219 137.560857 0.42108215E+04 0.16276461E+06 18.000440 17.580565 1.375496 2.099494 0.998976 72.430152 212.119875 0.575682 0.275252 -1.266381 0.073956 -0.042119 -0.088018 0.122436 0.022683 -0.082070 -0.012359 -0.135961 -0.102299 -0.125369 0.029397 0.095972 18.430197 15.833129 -1.181790 -1.672486 21.276656 -2.341938 18.180805 -0.000002 262 Cl 2.135618 -1.264981 13.239487 -0.433831 135.677166 0.41569205E+04 0.16023870E+06 17.840785 17.479002 1.328684 2.086951 0.998796 72.365503 211.959297 0.576524 0.275609 -1.265384 -0.082649 0.049352 0.094787 0.135097 0.070187 -0.032007 0.081477 0.050761 -0.099867 -0.132428 0.036023 0.096406 18.225941 20.675892 1.672753 1.299843 15.997853 2.563867 18.004079 -0.000002 263 Cl -2.135766 1.264732 13.239487 -0.438072 137.636667 0.42099942E+04 0.16272535E+06 18.009263 17.578951 1.371269 2.098466 0.998922 72.421341 212.092366 0.575701 0.275255 -1.266371 0.074962 -0.040105 0.087978 0.122344 0.022289 0.083031 0.013389 -0.131595 -0.099206 -0.124868 0.030409 0.094460 18.442643 15.822786 -1.220397 1.657057 21.370359 2.318943 18.134783 -0.000002 264 Cl 6.880467 6.746626 2.482129 -0.436279 136.764608 0.41862569E+04 0.16161303E+06 17.934646 17.534272 1.352442 2.093312 0.998861 72.403238 212.056249 0.576069 0.275411 -1.265928 -0.080997 0.048182 -0.086937 0.128219 0.070919 0.032254 -0.076212 0.050072 -0.106222 -0.128665 0.032253 0.096412 18.346437 20.698649 1.661298 -1.311925 16.106368 -2.647254 18.234293 -0.000002 ****************************************************** Auxiliary information for the entire system The total spin magnetic moment of the unit cell is -0.000023 The total net atomic charge of the unit cell is 0.000000 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= 182901 The rms potential error without charges in kcal/mol is= 10.27248 The rms potential error with partial charges in kcal/mol is= 2.81739 The RRMSE value at monopole order= 0.27427 The rms potential error with partial charges and cloud penetration in kcal/mol is= 2.82732 The RRMSE value at monopole order with cloud penetration is= 0.27523 The rms potential error with partial charges and atomic dipoles in kcal/mol is= 0.58036 The RRMSE value at dipole order= 0.05650 The rms potential error with partial charges, atomic dipoles and cloud penetration in kcal/mol is= 0.56735 The RRMSE value at dipole order with cloud penetration= 0.05523 ****************************************************** 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.