198 jmolscript: load "" {1 1 1} spacegroup "x,y,z" unitcell [{ 18.822600 0.000000 0.000000 }, { 8.575095 16.755835 0.000000 }, { 8.575095 5.244342 15.913984 }] Er 28.391155 12.341640 9.011771 2.049025 Er 23.992106 19.614704 8.901010 2.049020 Er 23.920783 14.709551 15.843326 2.049021 Er 7.581635 9.658537 6.902213 2.049025 Er 11.980684 2.385473 7.012974 2.049020 Er 12.052007 7.290626 0.070658 2.049021 H 10.700707 9.918338 3.754109 0.128355 H 14.134695 11.492416 2.469850 0.122156 H 12.413261 12.898479 5.821335 0.146259 H 15.956487 12.372901 3.631571 0.097545 H 15.333216 13.451379 2.668775 0.090330 H 16.379818 15.602918 2.638539 0.113484 H 17.744861 17.182541 3.598152 0.114869 H 18.331998 14.826061 6.702970 0.111081 H 17.031035 13.199290 5.701980 0.112946 H 10.812404 6.487156 8.245035 0.128352 H 11.729605 9.875319 10.141982 0.122153 H 14.170708 6.692276 10.428434 0.146257 H 13.787090 10.868868 10.614627 0.097543 H 12.989611 10.576843 11.940262 0.090333 H 14.040313 11.214824 13.993166 0.113487 H 15.913632 11.789535 15.193081 0.114866 H 18.149592 11.304801 11.983230 0.111084 H 16.257348 10.811759 10.751488 0.112945 H 13.704250 5.132678 3.580646 0.128355 H 16.669927 4.645275 6.204862 0.122154 H 17.137360 7.148260 3.092087 0.146261 H 18.283695 6.130668 7.000562 0.097545 H 18.959808 4.888811 6.308303 0.090330 H 21.351908 4.844913 6.271701 0.113485 H 23.379964 5.911404 6.441981 0.114866 H 21.549715 9.359824 6.986239 0.111082 H 19.508881 8.278611 6.903486 0.112944 H 25.272083 12.081839 12.159875 0.128355 H 21.838095 10.507761 13.444134 0.122156 H 23.559529 9.101698 10.092649 0.146259 H 20.016303 9.627276 12.282413 0.097545 H 20.639574 8.548798 13.245209 0.090330 H 19.592972 6.397259 13.275445 0.113483 H 18.227929 4.817636 12.315832 0.114869 H 17.640792 7.174116 9.211014 0.111082 H 18.941755 8.800887 10.212004 0.112947 H 25.160386 15.513021 7.668949 0.128352 H 24.243185 12.124858 5.772002 0.122153 H 21.802082 15.307901 5.485550 0.146257 H 22.185700 11.131309 5.299357 0.097543 H 22.983179 11.423334 3.973722 0.090333 H 21.932477 10.785353 1.920818 0.113487 H 20.059158 10.210642 0.720903 0.114866 H 17.823198 10.695376 3.930754 0.111085 H 19.715442 11.188418 5.162496 0.112946 H 22.268540 16.867499 12.333338 0.128355 H 19.302863 17.354902 9.709122 0.122154 H 18.835430 14.851917 12.821897 0.146260 H 17.689095 15.869509 8.913422 0.097545 H 17.012982 17.111366 9.605681 0.090330 H 14.620882 17.155264 9.642283 0.113485 H 12.592826 16.088773 9.472003 0.114865 H 14.423075 12.640353 8.927745 0.111083 H 16.463909 13.721566 9.010498 0.112945 C 10.277748 11.366821 5.970290 0.690080 C 11.379215 11.436101 4.936836 -0.009406 C 11.392669 10.529165 3.862642 -0.150135 C 12.443489 10.554807 2.973369 0.002697 C 13.445918 11.464868 3.093519 -0.245643 C 13.429063 12.358212 4.171214 0.273283 C 12.403153 12.319025 5.093111 -0.209587 C 15.553471 13.254552 3.591786 -0.069895 C 16.488357 14.274104 4.128087 0.124694 C 16.758664 15.440918 3.474023 -0.155756 C 17.588769 16.382576 4.048518 -0.089213 C 18.174425 16.178990 5.229653 -0.012278 C 19.039749 17.208953 5.869236 0.598409 C 17.944431 14.988482 5.873851 -0.103349 C 17.131747 14.026397 5.288217 -0.151963 C 12.436767 9.580277 1.868461 0.674810 C 12.897010 4.945194 8.927108 0.690084 C 12.544357 6.362999 9.316365 -0.009405 C 11.389595 6.969082 8.791203 -0.150128 C 11.123610 8.285639 9.093887 0.002701 C 11.935435 8.996247 9.920618 -0.245642 C 13.087821 8.387560 10.431776 0.273283 C 13.388962 7.080993 10.106016 -0.209581 C 13.815494 10.401606 11.464434 -0.069896 C 14.978899 10.856412 12.264907 0.124694 C 14.874148 11.213669 13.577811 -0.155756 C 16.000406 11.569782 14.292349 -0.089217 C 17.209110 11.609101 13.729312 -0.012277 C 18.431047 11.955811 14.507347 0.598411 C 17.317284 11.295378 12.396994 -0.103350 C 16.183852 10.962506 11.666542 -0.151969 C 9.914856 8.896689 8.514141 0.674809 C 14.800997 6.913133 1.902676 0.690079 C 15.364470 6.228613 3.127416 -0.009406 C 14.563247 5.341456 3.867416 -0.150140 C 15.064800 4.785984 5.023090 0.002699 C 16.331615 5.049630 5.439241 -0.245645 C 17.119189 5.941103 4.701150 0.273285 C 16.616927 6.536431 3.562186 -0.209587 C 18.884935 5.854880 6.290798 -0.069895 C 20.218449 6.479337 6.472217 0.124691 C 21.380289 5.767073 6.400604 -0.155750 C 22.596725 6.409718 6.515185 -0.089215 C 22.682303 7.723715 6.728751 -0.012279 C 23.993393 8.425399 6.814527 0.598405 C 21.517736 8.441219 6.847787 -0.103348 C 20.291052 7.795760 6.760260 -0.151967 C 14.194214 3.873673 5.784892 0.674809 C 25.695042 10.633356 9.943694 0.690081 C 24.593575 10.564076 10.977148 -0.009407 C 24.580121 11.471012 12.051342 -0.150135 C 23.529301 11.445370 12.940615 0.002697 C 22.526872 10.535309 12.820465 -0.245644 C 22.543727 9.641965 11.742770 0.273283 C 23.569637 9.681152 10.820873 -0.209586 C 20.419319 8.745625 12.322198 -0.069895 C 19.484433 7.726073 11.785897 0.124693 C 19.214126 6.559259 12.439961 -0.155756 C 18.384021 5.617601 11.865466 -0.089214 C 17.798365 5.821187 10.684331 -0.012278 C 16.933041 4.791224 10.044748 0.598409 C 18.028359 7.011695 10.040133 -0.103349 C 18.841043 7.973780 10.625767 -0.151963 C 23.536023 12.419900 14.045523 0.674810 C 23.075780 17.054983 6.986876 0.690084 C 23.428433 15.637178 6.597619 -0.009406 C 24.583195 15.031095 7.122781 -0.150128 C 24.849180 13.714538 6.820097 0.002701 C 24.037355 13.003930 5.993366 -0.245642 C 22.884969 13.612617 5.482208 0.273283 C 22.583828 14.919184 5.807968 -0.209580 C 22.157296 11.598571 4.449550 -0.069896 C 20.993891 11.143765 3.649077 0.124694 C 21.098642 10.786508 2.336173 -0.155757 C 19.972384 10.430395 1.621635 -0.089216 C 18.763680 10.391076 2.184672 -0.012277 C 17.541743 10.044366 1.406637 0.598411 C 18.655506 10.704799 3.516990 -0.103350 C 19.788938 11.037671 4.247442 -0.151969 C 26.057934 13.103488 7.399843 0.674809 C 21.171793 15.087044 14.011308 0.690079 C 20.608320 15.771564 12.786568 -0.009405 C 21.409543 16.658721 12.046568 -0.150140 C 20.907990 17.214193 10.890894 0.002699 C 19.641175 16.950547 10.474743 -0.245646 C 18.853601 16.059074 11.212834 0.273285 C 19.355863 15.463746 12.351798 -0.209587 C 17.087855 16.145297 9.623186 -0.069895 C 15.754341 15.520840 9.441767 0.124691 C 14.592501 16.233104 9.513380 -0.155750 C 13.376065 15.590459 9.398799 -0.089216 C 13.290487 14.276462 9.185233 -0.012279 C 11.979397 13.574778 9.099457 0.598405 C 14.455054 13.558958 9.066197 -0.103348 C 15.681738 14.204417 9.153724 -0.151968 C 21.778576 18.126504 10.129092 0.674809 O 10.274601 12.229409 6.846355 -0.632616 O 9.468651 10.410384 5.861439 -0.718662 O 19.455930 18.169135 5.172363 -0.656333 O 19.312681 17.123770 7.076630 -0.661226 O 11.468902 8.805320 1.704229 -0.621347 O 13.447218 9.536337 1.114297 -0.763516 O 14.385563 13.296589 4.393055 -0.199098 O 13.876599 4.440337 9.472162 -0.632610 O 12.169894 4.408413 8.052794 -0.718668 O 18.298987 12.490911 15.637399 -0.656326 O 19.552472 11.688498 14.048547 -0.661232 O 9.119149 8.216659 7.829521 -0.621351 O 9.725325 10.128772 8.708450 -0.763516 O 13.972588 9.009245 11.253574 -0.199096 O 15.567437 7.621310 1.252590 -0.632610 O 13.580975 6.720697 1.666512 -0.718662 O 25.037746 7.742584 6.969052 -0.656327 O 24.041904 9.660321 6.704243 -0.661224 O 13.063414 3.558527 5.353305 -0.621348 O 14.615434 3.445197 6.894256 -0.763517 O 18.390288 6.284496 5.034389 -0.199096 O 25.698189 9.770768 9.067629 -0.632616 O 26.504139 11.589793 10.052545 -0.718662 O 16.516860 3.831042 10.741621 -0.656333 O 16.660109 4.876407 8.837354 -0.661226 O 24.503888 13.194857 14.209755 -0.621347 O 22.525572 12.463840 14.799687 -0.763515 O 21.587227 8.703588 11.520929 -0.199098 O 22.096191 17.559840 6.441822 -0.632610 O 23.802896 17.591764 7.861190 -0.718668 O 17.673803 9.509266 0.276585 -0.656326 O 16.420318 10.311679 1.865437 -0.661232 O 26.853641 13.783518 8.084463 -0.621351 O 26.247465 11.871405 7.205534 -0.763516 O 22.000202 12.990932 4.660410 -0.199095 O 20.405353 14.378867 14.661394 -0.632610 O 22.391815 15.279480 14.247472 -0.718662 O 10.935044 14.257593 8.944932 -0.656327 O 11.930886 12.339856 9.209741 -0.661224 O 22.909376 18.441650 10.560679 -0.621348 O 21.357356 18.554980 9.019728 -0.763517 O 17.582502 15.715681 10.879595 -0.199096 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 Er 28.391155 12.341640 9.011771 2.049025 98.993985 0.19296364E+04 0.58537591E+05 14.337576 11.844364 2.242149 2.492972 0.999916 67.596965 150.305153 0.740572 0.272634 -1.330801 -0.008856 -0.001498 0.017928 0.020052 -0.050457 -0.017587 0.039993 -0.099918 0.460157 -0.147701 -0.016892 0.164594 18.482512 28.909349 2.481217 -1.875316 13.891232 -0.705169 12.646956 -0.000012 2 Er 23.992106 19.614704 8.901010 2.049020 98.994949 0.19296580E+04 0.58538414E+05 14.337677 11.844439 2.242152 2.492973 0.999916 67.597100 150.305704 0.740569 0.272634 -1.330800 0.010711 -0.015430 -0.007025 0.020054 -0.135062 -0.038372 -0.028021 0.114660 -0.098576 -0.147707 -0.016881 0.164588 18.482656 14.971907 6.128380 1.165510 26.287377 2.710128 14.188685 -0.000007 3 Er 23.920783 14.709551 15.843326 2.049021 98.993592 0.19296270E+04 0.58537218E+05 14.337521 11.844319 2.242184 2.492984 0.999916 67.596945 150.304879 0.740575 0.272633 -1.330802 -0.005366 0.014775 -0.012456 0.020057 0.004278 -0.075154 -0.092152 -0.200260 -0.070362 -0.147708 -0.016887 0.164594 18.482441 19.020628 0.952869 7.626801 12.935997 2.225354 23.490699 -0.000006 4 Er 7.581635 9.658537 6.902213 2.049025 98.993970 0.19296363E+04 0.58537585E+05 14.337573 11.844362 2.242149 2.492972 0.999916 67.596979 150.305179 0.740572 0.272633 -1.330801 0.008855 0.001499 -0.017929 0.020053 -0.050458 -0.017586 0.039994 -0.099918 0.460159 -0.147702 -0.016892 0.164594 18.482506 28.909334 2.481213 -1.875316 13.891228 -0.705168 12.646956 -0.000010 5 Er 11.980684 2.385473 7.012974 2.049020 98.994912 0.19296572E+04 0.58538381E+05 14.337673 11.844435 2.242152 2.492973 0.999916 67.597097 150.305683 0.740569 0.272634 -1.330800 -0.010711 0.015430 0.007026 0.020054 -0.135061 -0.038372 -0.028021 0.114659 -0.098578 -0.147706 -0.016881 0.164588 18.482650 14.971902 6.128376 1.165507 26.287368 2.710124 14.188680 -0.000011 6 Er 12.052007 7.290626 0.070658 2.049021 98.993562 0.19296266E+04 0.58537203E+05 14.337517 11.844317 2.242185 2.492984 0.999916 67.596951 150.304886 0.740575 0.272633 -1.330802 0.005366 -0.014777 0.012457 0.020058 0.004278 -0.075154 -0.092152 -0.200261 -0.070363 -0.147708 -0.016887 0.164595 18.482432 19.020622 0.952869 7.626794 12.935990 2.225352 23.490685 -0.000008 7 H 10.700707 9.918338 3.754109 0.128355 1.167382 0.87974475E+01 0.87785388E+02 1.776773 1.692460 -1.292396 2.274510 0.995568 3.474783 9.571234 0.502723 1.220988 -0.722677 -0.029884 -0.026692 -0.004844 0.040361 0.010113 0.002479 0.003073 0.002476 -0.019636 -0.007767 -0.006425 0.014193 1.809135 1.996915 0.346109 -0.102165 1.729542 0.169932 1.700949 -0.000002 8 H 14.134695 11.492416 2.469850 0.122156 1.264536 0.95222444E+01 0.98240359E+02 1.957522 1.819307 -1.572478 2.131516 0.992071 3.931835 11.511068 0.455461 1.303478 -0.701385 0.023230 -0.003445 -0.020729 0.031324 0.004595 -0.003755 -0.000365 0.003742 -0.000706 -0.005588 -0.001139 0.006728 2.045713 2.324928 0.155592 -0.451969 1.731992 0.213347 2.080219 -0.000001 9 H 12.413261 12.898479 5.821335 0.146259 1.072379 0.77815364E+01 0.75865975E+02 1.739902 1.638971 -1.029899 2.415300 0.997754 3.342825 9.325926 0.485306 1.294519 -0.706896 -0.001771 0.023161 0.029091 0.037227 0.001279 0.000263 0.009555 -0.010935 0.011929 -0.007786 -0.005557 0.013342 1.785633 1.580146 0.062590 -0.133262 1.679990 0.455335 2.096762 -0.000000 10 H 15.956487 12.372901 3.631571 0.097545 1.164616 0.89807166E+01 0.90981992E+02 1.846870 1.758597 -1.121864 2.333456 0.994579 3.781759 10.844289 0.468176 1.291376 -0.705535 0.015252 -0.032931 0.004744 0.036600 -0.003549 -0.004442 -0.008268 -0.005440 -0.003926 -0.011126 0.001498 0.009629 1.898793 1.862644 -0.280085 0.039853 2.351888 0.137238 1.481847 -0.000001 11 H 15.333216 13.451379 2.668775 0.090330 1.407885 0.11427230E+02 0.12088073E+03 1.998497 1.915309 -0.837014 2.466113 0.998351 3.557509 9.860829 0.480974 1.203838 -0.730341 -0.008923 0.011185 -0.028732 0.032097 -0.003700 0.000781 -0.004585 0.012405 0.002622 -0.009424 0.001926 0.007498 2.045609 1.820162 0.148786 0.277708 1.823125 -0.110517 2.493538 -0.000002 12 H 16.379818 15.602918 2.638539 0.113484 1.149164 0.82155255E+01 0.79192774E+02 1.653684 1.557182 -0.845323 2.472271 0.999442 3.159908 8.080362 0.574092 1.106814 -0.753682 -0.012173 0.008869 -0.031379 0.034807 0.009659 0.009551 -0.008262 -0.010923 0.018616 -0.020099 0.007135 0.012964 1.689927 1.488156 0.030399 0.364404 1.479356 -0.160448 2.102269 -0.000002 13 H 17.744861 17.182541 3.598152 0.114869 1.194438 0.85417765E+01 0.83502478E+02 1.728070 1.610637 -0.882958 2.460196 0.998952 3.230037 8.435903 0.550144 1.138881 -0.745100 0.007718 0.032798 -0.019092 0.038727 0.004763 0.007704 -0.010767 -0.016127 0.018553 -0.017532 0.000946 0.016585 1.788053 1.456215 0.244772 0.006573 2.219017 -0.401350 1.688927 -0.000001 14 H 18.331998 14.826061 6.702970 0.111081 1.154876 0.84513208E+01 0.83217486E+02 1.751406 1.650159 -0.897653 2.450395 0.998823 3.359325 9.094403 0.514823 1.208254 -0.726942 0.016113 -0.006327 0.033840 0.038011 0.003361 0.010444 -0.009813 -0.010490 0.018600 -0.017047 0.001105 0.015942 1.792740 1.622884 0.049740 0.328132 1.514120 -0.022008 2.241217 -0.000001 15 H 17.031035 13.199290 5.701980 0.112946 1.097867 0.81315610E+01 0.79005782E+02 1.669571 1.602309 -0.766529 2.513125 0.999722 3.257496 8.654070 0.532441 1.183995 -0.733364 -0.002420 -0.031627 0.014680 0.034952 0.006812 0.011895 -0.008015 -0.021358 -0.001475 -0.021533 0.006454 0.015080 1.687974 1.439313 0.132745 -0.000580 2.057258 -0.215319 1.567351 -0.000001 16 H 10.812404 6.487156 8.245035 0.128352 1.167403 0.87976222E+01 0.87787457E+02 1.776781 1.692467 -1.292291 2.274551 0.995572 3.474818 9.571309 0.502728 1.220973 -0.722680 -0.025147 -0.020700 -0.023835 0.040360 0.006631 0.008491 0.005571 0.004047 -0.001896 -0.007766 -0.006425 0.014191 1.809144 1.853827 0.084531 0.293530 1.947885 0.254973 1.625720 -0.000002 17 H 11.729605 9.875319 10.141982 0.122153 1.264542 0.95222784E+01 0.98240524E+02 1.957504 1.819291 -1.572496 2.131504 0.992071 3.931829 11.510935 0.455472 1.303451 -0.701391 -0.007903 0.030139 0.003215 0.031323 -0.000195 0.001861 0.005270 -0.004967 -0.004161 -0.005588 -0.001140 0.006727 2.045693 1.895795 -0.160954 0.192328 2.602032 0.226479 1.639250 -0.000000 18 H 14.170708 6.692276 10.428434 0.146257 1.072378 0.77815290E+01 0.75865854E+02 1.739897 1.638968 -1.029871 2.415311 0.997754 3.342828 9.325919 0.485308 1.294515 -0.706897 0.030242 -0.017467 0.012892 0.037227 -0.006540 0.007223 -0.002426 0.011038 -0.006457 -0.007785 -0.005557 0.013342 1.785628 2.084934 -0.365311 0.261721 1.821842 -0.020309 1.450108 -0.000000 19 H 13.787090 10.868868 10.614627 0.097543 1.164600 0.89805735E+01 0.90980342E+02 1.846869 1.758596 -1.121813 2.333481 0.994580 3.781744 10.844297 0.468170 1.291396 -0.705531 0.001784 0.016221 -0.032762 0.036601 -0.001617 -0.005581 0.000632 -0.010810 0.023494 -0.011126 0.001498 0.009629 1.898792 1.652675 0.057642 0.201596 1.858634 -0.416004 2.185066 -0.000001 20 H 12.989611 10.576843 11.940262 0.090333 1.407851 0.11426855E+02 0.12087540E+03 1.998436 1.915254 -0.836990 2.466131 0.998350 3.557465 9.860553 0.480992 1.203808 -0.730347 -0.025241 0.002894 0.019616 0.032098 0.003144 -0.006984 -0.000649 -0.005561 -0.009532 -0.009425 0.001927 0.007499 2.045544 2.501287 -0.038297 -0.231724 1.680901 0.179684 1.954445 -0.000002 21 H 14.040313 11.214824 13.993166 0.113487 1.149169 0.82155771E+01 0.79193492E+02 1.653703 1.557198 -0.845257 2.472307 0.999443 3.159886 8.080349 0.574082 1.106830 -0.753679 -0.029605 0.001477 0.018245 0.034806 0.003229 -0.004114 0.009053 0.025165 0.022939 -0.020099 0.007136 0.012963 1.689948 2.139331 0.022375 -0.318497 1.294727 0.067306 1.635784 -0.000002 22 H 15.913632 11.789535 15.193081 0.114866 1.194432 0.85417264E+01 0.83501793E+02 1.728057 1.610626 -0.882915 2.460211 0.998953 3.230038 8.435872 0.550150 1.138872 -0.745102 -0.003487 0.010455 0.037125 0.038727 0.000764 -0.007065 0.005990 0.020616 0.034473 -0.017532 0.000947 0.016585 1.788038 1.559882 0.029794 -0.042037 1.398558 0.280346 2.405675 -0.000000 23 H 18.149592 11.304801 11.983230 0.111084 1.154879 0.84513592E+01 0.83218057E+02 1.751420 1.650170 -0.897700 2.450377 0.998823 3.359327 9.094454 0.514817 1.208265 -0.726940 0.034188 0.000604 -0.016601 0.038010 0.003045 -0.008132 0.004076 0.022660 0.025128 -0.017047 0.001105 0.015942 1.792754 2.311495 -0.025186 -0.233429 1.468325 0.057159 1.598443 -0.000001 24 H 16.257348 10.811759 10.751488 0.112945 1.097870 0.81315930E+01 0.79006154E+02 1.669572 1.602311 -0.766490 2.513140 0.999722 3.257503 8.654086 0.532441 1.183993 -0.733364 0.002497 -0.003995 -0.034632 0.034951 0.005302 -0.001465 0.003835 0.025468 0.043715 -0.021534 0.006454 0.015079 1.687975 1.510618 0.004505 0.033035 1.416028 0.124924 2.137279 -0.000001 25 H 13.704250 5.132678 3.580646 0.128355 1.167386 0.87974845E+01 0.87785867E+02 1.776777 1.692463 -1.292341 2.274534 0.995570 3.474799 9.571290 0.502723 1.220988 -0.722677 -0.037376 -0.009121 -0.012199 0.040360 0.005836 0.005362 0.001344 0.016588 -0.014745 -0.007768 -0.006425 0.014192 1.809139 2.065769 0.196768 0.262477 1.596913 -0.147345 1.764735 -0.000002 26 H 16.669927 4.645275 6.204862 0.122154 1.264544 0.95222990E+01 0.98240842E+02 1.957511 1.819296 -1.572509 2.131500 0.992071 3.931835 11.510979 0.455470 1.303456 -0.701390 0.007515 -0.012725 0.027618 0.031324 -0.000617 0.004631 -0.003233 0.005098 -0.001213 -0.005589 -0.001138 0.006728 2.045700 1.981241 0.088563 0.319819 1.782777 -0.403019 2.373082 -0.000001 27 H 17.137360 7.148260 3.092087 0.146261 1.072367 0.77814329E+01 0.75864804E+02 1.739898 1.638968 -1.029857 2.415320 0.997755 3.342812 9.325916 0.485303 1.294532 -0.706894 0.019811 0.023833 -0.020623 0.037226 0.007039 -0.006201 -0.006344 0.001718 -0.008328 -0.007785 -0.005557 0.013343 1.785629 1.710031 0.326096 -0.111550 1.849352 -0.424683 1.797502 -0.000001 28 H 18.283695 6.130668 7.000562 0.097545 1.164608 0.89806504E+01 0.90981280E+02 1.846873 1.758600 -1.121858 2.333461 0.994579 3.781755 10.844324 0.468171 1.291390 -0.705532 -0.022366 0.013451 0.025659 0.036600 -0.010253 -0.001130 0.000815 0.000468 0.005206 -0.011126 0.001498 0.009628 1.898796 2.023174 0.019902 -0.387956 1.535273 0.189163 2.137940 -0.000001 29 H 18.959808 4.888811 6.308303 0.090330 1.407838 0.11426715E+02 0.12087336E+03 1.998407 1.915228 -0.837035 2.466103 0.998350 3.557469 9.860492 0.481001 1.203791 -0.730351 0.005892 -0.031371 -0.003390 0.032099 -0.002642 0.003889 0.003818 -0.010120 0.012046 -0.009425 0.001928 0.007497 2.045514 1.943102 0.053575 0.072699 2.592588 0.003407 1.600851 -0.000002 30 H 21.351908 4.844913 6.271701 0.113485 1.149192 0.82157816E+01 0.79196051E+02 1.653736 1.557227 -0.845309 2.472281 0.999442 3.159904 8.080457 0.574071 1.106843 -0.753675 0.002350 -0.034460 -0.004308 0.034808 -0.002470 0.002098 0.003816 -0.003579 -0.058294 -0.020098 0.007136 0.012963 1.689983 1.505882 0.028702 0.013022 2.275923 0.129194 1.288144 -0.000002 31 H 23.379964 5.911404 6.441981 0.114866 1.194420 0.85416150E+01 0.83500302E+02 1.728031 1.610604 -0.882966 2.460186 0.998952 3.230032 8.435793 0.550160 1.138856 -0.745106 0.032713 -0.020659 -0.001690 0.038727 -0.006945 -0.001664 0.004150 -0.005940 -0.050748 -0.017532 0.000947 0.016585 1.788010 2.259171 -0.388483 -0.046949 1.774333 0.070593 1.330527 -0.000000 32 H 21.549715 9.359824 6.986239 0.111082 1.154876 0.84513241E+01 0.83217553E+02 1.751410 1.650161 -0.897694 2.450378 0.998823 3.359323 9.094409 0.514821 1.208257 -0.726941 0.001708 0.037532 0.005770 0.038011 -0.004493 -0.000929 0.006583 -0.010212 -0.046801 -0.017047 0.001105 0.015942 1.792744 1.577040 0.146282 0.028869 2.354109 0.040427 1.447082 -0.000001 33 H 19.508881 8.278611 6.903486 0.112944 1.097866 0.81315464E+01 0.79005553E+02 1.669563 1.602303 -0.766523 2.513122 0.999722 3.257500 8.654057 0.532444 1.183988 -0.733365 -0.029257 0.017777 0.007044 0.034952 -0.003093 -0.003906 0.008171 0.005124 -0.056734 -0.021534 0.006454 0.015080 1.687966 2.036663 -0.236431 -0.104199 1.614830 0.046517 1.412406 -0.000001 34 H 25.272083 12.081839 12.159875 0.128355 1.167384 0.87974645E+01 0.87785619E+02 1.776776 1.692463 -1.292397 2.274510 0.995568 3.474787 9.571255 0.502722 1.220990 -0.722676 0.029884 0.026692 0.004844 0.040360 0.010113 0.002479 0.003072 0.002476 -0.019636 -0.007767 -0.006425 0.014193 1.809139 1.996919 0.346110 -0.102165 1.729545 0.169933 1.700952 -0.000002 35 H 21.838095 10.507761 13.444134 0.122156 1.264537 0.95222546E+01 0.98240489E+02 1.957523 1.819308 -1.572478 2.131515 0.992071 3.931837 11.511075 0.455461 1.303478 -0.701385 -0.023230 0.003445 0.020729 0.031324 0.004596 -0.003755 -0.000364 0.003742 -0.000706 -0.005589 -0.001139 0.006728 2.045714 2.324929 0.155592 -0.451969 1.731993 0.213348 2.080220 -0.000001 36 H 23.559529 9.101698 10.092649 0.146259 1.072382 0.77815609E+01 0.75866294E+02 1.739906 1.638975 -1.029901 2.415299 0.997754 3.342830 9.325953 0.485305 1.294522 -0.706896 0.001771 -0.023161 -0.029091 0.037227 0.001279 0.000263 0.009555 -0.010935 0.011929 -0.007786 -0.005557 0.013342 1.785638 1.580150 0.062591 -0.133262 1.679995 0.455337 2.096769 -0.000000 37 H 20.016303 9.627276 12.282413 0.097545 1.164616 0.89807216E+01 0.90982045E+02 1.846869 1.758596 -1.121865 2.333456 0.994579 3.781759 10.844285 0.468176 1.291375 -0.705535 -0.015252 0.032931 -0.004744 0.036600 -0.003549 -0.004442 -0.008268 -0.005440 -0.003926 -0.011126 0.001498 0.009629 1.898793 1.862643 -0.280084 0.039853 2.351888 0.137238 1.481846 -0.000001 38 H 20.639574 8.548798 13.245209 0.090330 1.407882 0.11427203E+02 0.12088035E+03 1.998493 1.915306 -0.837013 2.466114 0.998351 3.557506 9.860812 0.480975 1.203836 -0.730341 0.008923 -0.011185 0.028732 0.032097 -0.003700 0.000781 -0.004585 0.012405 0.002622 -0.009424 0.001926 0.007498 2.045605 1.820159 0.148785 0.277707 1.823122 -0.110517 2.493533 -0.000002 39 H 19.592972 6.397259 13.275445 0.113483 1.149162 0.82155126E+01 0.79192607E+02 1.653681 1.557180 -0.845324 2.472271 0.999442 3.159907 8.080353 0.574093 1.106813 -0.753682 0.012173 -0.008869 0.031379 0.034807 0.009659 0.009551 -0.008262 -0.010922 0.018616 -0.020099 0.007135 0.012964 1.689924 1.488154 0.030399 0.364403 1.479354 -0.160447 2.102266 -0.000002 40 H 18.227929 4.817636 12.315832 0.114869 1.194439 0.85417841E+01 0.83502576E+02 1.728072 1.610638 -0.882958 2.460197 0.998952 3.230038 8.435909 0.550144 1.138881 -0.745100 -0.007718 -0.032798 0.019092 0.038727 0.004763 0.007704 -0.010767 -0.016127 0.018553 -0.017532 0.000946 0.016586 1.788055 1.456217 0.244772 0.006573 2.219019 -0.401351 1.688929 -0.000001 41 H 17.640792 7.174116 9.211014 0.111082 1.154873 0.84512915E+01 0.83217111E+02 1.751402 1.650155 -0.897650 2.450397 0.998823 3.359320 9.094380 0.514824 1.208252 -0.726943 -0.016113 0.006327 -0.033840 0.038010 0.003361 0.010444 -0.009813 -0.010490 0.018599 -0.017047 0.001105 0.015942 1.792735 1.622879 0.049739 0.328130 1.514116 -0.022008 2.241210 -0.000001 42 H 18.941755 8.800887 10.212004 0.112947 1.097865 0.81315432E+01 0.79005554E+02 1.669568 1.602306 -0.766528 2.513125 0.999722 3.257493 8.654055 0.532442 1.183994 -0.733364 0.002419 0.031627 -0.014680 0.034952 0.006812 0.011895 -0.008015 -0.021358 -0.001476 -0.021533 0.006454 0.015079 1.687971 1.439310 0.132745 -0.000580 2.057254 -0.215319 1.567348 -0.000001 43 H 25.160386 15.513021 7.668949 0.128352 1.167404 0.87976307E+01 0.87787571E+02 1.776783 1.692468 -1.292292 2.274551 0.995572 3.474820 9.571319 0.502727 1.220974 -0.722680 0.025147 0.020700 0.023835 0.040360 0.006631 0.008491 0.005571 0.004047 -0.001897 -0.007766 -0.006425 0.014191 1.809145 1.853829 0.084531 0.293530 1.947886 0.254973 1.625721 -0.000002 44 H 24.243185 12.124858 5.772002 0.122153 1.264543 0.95222850E+01 0.98240605E+02 1.957504 1.819291 -1.572496 2.131504 0.992071 3.931830 11.510937 0.455472 1.303450 -0.701391 0.007902 -0.030139 -0.003215 0.031323 -0.000195 0.001861 0.005270 -0.004967 -0.004161 -0.005588 -0.001140 0.006727 2.045693 1.895796 -0.160954 0.192328 2.602033 0.226479 1.639250 -0.000000 45 H 21.802082 15.307901 5.485550 0.146257 1.072376 0.77815098E+01 0.75865615E+02 1.739895 1.638965 -1.029870 2.415312 0.997754 3.342824 9.325903 0.485309 1.294515 -0.706897 -0.030242 0.017467 -0.012892 0.037227 -0.006540 0.007223 -0.002426 0.011038 -0.006456 -0.007785 -0.005557 0.013342 1.785625 2.084931 -0.365310 0.261720 1.821839 -0.020309 1.450106 -0.000000 46 H 22.185700 11.131309 5.299357 0.097543 1.164598 0.89805619E+01 0.90980201E+02 1.846868 1.758595 -1.121812 2.333482 0.994580 3.781742 10.844292 0.468170 1.291396 -0.705531 -0.001784 -0.016221 0.032762 0.036601 -0.001617 -0.005581 0.000632 -0.010810 0.023494 -0.011126 0.001498 0.009629 1.898791 1.652675 0.057642 0.201596 1.858633 -0.416004 2.185065 -0.000001 47 H 22.983179 11.423334 3.973722 0.090333 1.407848 0.11426822E+02 0.12087494E+03 1.998431 1.915250 -0.836990 2.466131 0.998350 3.557462 9.860533 0.480993 1.203806 -0.730348 0.025241 -0.002894 -0.019616 0.032098 0.003144 -0.006984 -0.000649 -0.005561 -0.009532 -0.009425 0.001927 0.007499 2.045539 2.501280 -0.038296 -0.231723 1.680897 0.179684 1.954440 -0.000002 48 H 21.932477 10.785353 1.920818 0.113487 1.149169 0.82155745E+01 0.79193457E+02 1.653702 1.557197 -0.845258 2.472306 0.999443 3.159887 8.080350 0.574082 1.106829 -0.753679 0.029605 -0.001477 -0.018245 0.034806 0.003229 -0.004113 0.009053 0.025165 0.022939 -0.020099 0.007136 0.012963 1.689947 2.139330 0.022375 -0.318496 1.294727 0.067305 1.635783 -0.000002 49 H 20.059158 10.210642 0.720903 0.114866 1.194438 0.85417768E+01 0.83502454E+02 1.728066 1.610634 -0.882915 2.460211 0.998953 3.230044 8.435911 0.550146 1.138877 -0.745101 0.003487 -0.010455 -0.037125 0.038727 0.000764 -0.007065 0.005990 0.020616 0.034474 -0.017532 0.000947 0.016585 1.788049 1.559891 0.029794 -0.042037 1.398564 0.280349 2.405691 -0.000000 50 H 17.823198 10.695376 3.930754 0.111085 1.154882 0.84513905E+01 0.83218460E+02 1.751424 1.650174 -0.897703 2.450376 0.998823 3.359333 9.094482 0.514816 1.208267 -0.726939 -0.034188 -0.000604 0.016601 0.038010 0.003045 -0.008132 0.004076 0.022660 0.025128 -0.017047 0.001105 0.015942 1.792759 2.311502 -0.025186 -0.233429 1.468328 0.057159 1.598447 -0.000001 51 H 19.715442 11.188418 5.162496 0.112946 1.097872 0.81316094E+01 0.79006357E+02 1.669573 1.602312 -0.766491 2.513139 0.999722 3.257507 8.654100 0.532441 1.183993 -0.733364 -0.002497 0.003995 0.034632 0.034951 0.005302 -0.001465 0.003835 0.025468 0.043715 -0.021534 0.006454 0.015079 1.687977 1.510619 0.004505 0.033036 1.416029 0.124924 2.137281 -0.000001 52 H 22.268540 16.867499 12.333338 0.128355 1.167385 0.87974706E+01 0.87785694E+02 1.776776 1.692462 -1.292340 2.274534 0.995570 3.474796 9.571280 0.502723 1.220988 -0.722677 0.037376 0.009121 0.012199 0.040360 0.005836 0.005362 0.001344 0.016588 -0.014745 -0.007768 -0.006425 0.014192 1.809138 2.065768 0.196768 0.262477 1.596912 -0.147345 1.764734 -0.000002 53 H 19.302863 17.354902 9.709122 0.122154 1.264545 0.95223118E+01 0.98241033E+02 1.957514 1.819299 -1.572510 2.131500 0.992071 3.931839 11.511004 0.455469 1.303458 -0.701389 -0.007515 0.012725 -0.027619 0.031324 -0.000617 0.004631 -0.003233 0.005098 -0.001213 -0.005589 -0.001138 0.006728 2.045704 1.981245 0.088564 0.319820 1.782780 -0.403020 2.373086 -0.000001 54 H 18.835430 14.851917 12.821897 0.146260 1.072366 0.77814226E+01 0.75864656E+02 1.739895 1.638965 -1.029855 2.415321 0.997755 3.342808 9.325893 0.485304 1.294529 -0.706894 -0.019811 -0.023833 0.020623 0.037226 0.007039 -0.006201 -0.006343 0.001718 -0.008328 -0.007785 -0.005557 0.013343 1.785626 1.710029 0.326095 -0.111550 1.849349 -0.424683 1.797499 -0.000001 55 H 17.689095 15.869509 8.913422 0.097545 1.164607 0.89806451E+01 0.90981212E+02 1.846872 1.758599 -1.121858 2.333461 0.994579 3.781754 10.844320 0.468171 1.291390 -0.705532 0.022366 -0.013451 -0.025659 0.036600 -0.010253 -0.001130 0.000815 0.000468 0.005205 -0.011126 0.001498 0.009629 1.898795 2.023173 0.019902 -0.387956 1.535273 0.189163 2.137940 -0.000001 56 H 17.012982 17.111366 9.605681 0.090330 1.407843 0.11426769E+02 0.12087412E+03 1.998415 1.915235 -0.837036 2.466103 0.998350 3.557475 9.860526 0.480999 1.203794 -0.730350 -0.005892 0.031371 0.003390 0.032099 -0.002642 0.003889 0.003818 -0.010120 0.012046 -0.009425 0.001928 0.007497 2.045522 1.943110 0.053576 0.072700 2.592599 0.003407 1.600856 -0.000002 57 H 14.620882 17.155264 9.642283 0.113485 1.149193 0.82157890E+01 0.79196157E+02 1.653739 1.557229 -0.845308 2.472282 0.999442 3.159904 8.080464 0.574070 1.106845 -0.753675 -0.002350 0.034460 0.004308 0.034808 -0.002470 0.002098 0.003816 -0.003579 -0.058294 -0.020098 0.007136 0.012963 1.689985 1.505884 0.028702 0.013022 2.275927 0.129194 1.288145 -0.000002 58 H 12.592826 16.088773 9.472003 0.114865 1.194423 0.85416401E+01 0.83500613E+02 1.728034 1.610607 -0.882968 2.460184 0.998952 3.230037 8.435811 0.550159 1.138857 -0.745106 -0.032713 0.020659 0.001690 0.038727 -0.006945 -0.001664 0.004150 -0.005940 -0.050749 -0.017532 0.000947 0.016585 1.788013 2.259175 -0.388484 -0.046949 1.774336 0.070593 1.330529 -0.000000 59 H 14.423075 12.640353 8.927745 0.111083 1.154875 0.84513185E+01 0.83217480E+02 1.751408 1.650160 -0.897695 2.450377 0.998823 3.359322 9.094404 0.514822 1.208257 -0.726942 -0.001708 -0.037532 -0.005770 0.038011 -0.004493 -0.000929 0.006583 -0.010212 -0.046801 -0.017047 0.001105 0.015942 1.792742 1.577039 0.146282 0.028868 2.354107 0.040427 1.447081 -0.000001 60 H 16.463909 13.721566 9.010498 0.112945 1.097862 0.81315122E+01 0.79005131E+02 1.669559 1.602299 -0.766520 2.513124 0.999722 3.257494 8.654034 0.532445 1.183988 -0.733365 0.029257 -0.017777 -0.007045 0.034952 -0.003093 -0.003906 0.008171 0.005124 -0.056734 -0.021534 0.006454 0.015080 1.687962 2.036657 -0.236430 -0.104199 1.614826 0.046517 1.412403 -0.000001 61 C 10.277748 11.366821 5.970290 0.690080 21.794880 0.22426165E+03 0.45345882E+04 7.364441 5.396164 -0.185832 2.018755 0.999002 21.256002 59.466697 0.622124 0.486908 -1.008423 -0.056314 -0.008952 0.047174 0.074006 -0.062367 0.084330 -0.049119 -0.041930 -0.078835 -0.102143 -0.029838 0.131981 9.433940 11.302436 1.247562 -5.222497 6.525647 1.243875 10.473737 0.000008 62 C 11.379215 11.436101 4.936836 -0.009406 39.607097 0.41491318E+03 0.95407260E+04 9.995258 6.680352 0.113356 2.044049 0.999265 26.580730 73.026736 0.660403 0.403341 -1.084040 0.043200 0.003892 -0.033213 0.054631 0.002761 0.009845 0.007869 -0.030041 -0.016827 -0.019459 -0.001746 0.021205 13.908267 16.775938 1.920412 -8.299572 8.651534 2.762000 16.297328 -0.000000 63 C 11.392669 10.529165 3.862642 -0.150135 38.039632 0.44915419E+03 0.10679785E+05 9.956549 7.151965 -0.130271 1.921915 0.999388 30.225183 88.295052 0.603188 0.427058 -1.054165 0.016210 0.012088 0.006549 0.021256 0.011136 0.024676 -0.019852 -0.007930 -0.057449 -0.043455 0.020477 0.022978 12.807718 12.284449 -0.244795 -6.501815 8.880717 5.028063 17.257989 -0.000006 64 C 12.443489 10.554807 2.973369 0.002697 38.538210 0.39280243E+03 0.89318751E+04 9.829740 6.519848 0.088731 2.044059 0.999268 26.242574 72.285996 0.663752 0.405819 -1.079668 0.018302 0.039592 0.038504 0.058182 -0.006694 -0.001912 -0.010538 0.022674 -0.013796 -0.018862 0.003342 0.015520 13.419625 11.176630 1.358302 -3.618761 11.953934 7.378575 17.128312 -0.000002 65 C 13.445918 11.464868 3.093519 -0.245643 38.465478 0.48523512E+03 0.11790550E+05 10.014644 7.435745 -0.183917 1.896476 0.999041 31.700144 94.337874 0.589924 0.427295 -1.051532 -0.013950 -0.036916 -0.010710 0.040891 -0.020271 -0.003383 -0.025654 0.021163 -0.025908 -0.038468 0.007461 0.031007 12.077076 11.844517 4.014500 -0.771182 12.237460 5.412298 12.149252 -0.000001 66 C 13.429063 12.358212 4.171214 0.273283 33.911067 0.34012849E+03 0.74919594E+04 9.196488 6.225128 0.059976 2.043420 0.999530 24.456127 67.214291 0.650832 0.427253 -1.061415 0.033965 0.034934 0.007892 0.049359 0.022117 -0.008618 0.002864 0.022950 -0.056673 -0.024681 -0.010333 0.035014 12.023055 15.675685 5.380369 -3.011275 10.260672 2.399934 10.132808 0.000004 67 C 12.403153 12.319025 5.093111 -0.209587 37.255966 0.44427022E+03 0.10526282E+05 9.735342 7.061806 -0.058458 1.947371 0.999537 30.275369 88.051515 0.614133 0.420936 -1.058835 -0.025983 -0.005007 0.010998 0.028656 -0.027868 0.028893 0.001746 -0.066217 0.019814 -0.058522 0.016042 0.042480 12.042252 16.135474 3.715123 -5.418291 8.409041 1.271099 11.582241 -0.000004 68 C 15.553471 13.254552 3.591786 -0.069895 28.779579 0.35772853E+03 0.80717682E+04 8.387426 6.334148 -0.198508 1.944542 0.998079 27.952061 80.724005 0.645412 0.420585 -1.053436 -0.059728 0.024302 0.060803 0.088628 -0.001626 -0.022815 -0.018099 0.044468 -0.005970 -0.035511 -0.002302 0.037813 10.609671 13.517857 5.298805 1.180090 11.020166 1.746488 7.290991 0.000003 69 C 16.488357 14.274104 4.128087 0.124694 34.230046 0.37885161E+03 0.85871940E+04 9.378091 6.587390 -0.186659 1.963823 0.999312 25.644849 71.887157 0.629122 0.429525 -1.058245 -0.026224 -0.011273 -0.000582 0.028550 0.019956 0.006297 0.029098 -0.001468 -0.034766 -0.034383 -0.005151 0.039535 12.229585 12.657514 7.457021 3.983978 14.729682 1.418378 9.301558 0.000009 70 C 16.758664 15.440918 3.474023 -0.155756 33.065830 0.40746520E+03 0.94178068E+04 8.901213 6.709049 0.270712 2.059125 0.999849 29.056781 82.604722 0.639712 0.414250 -1.066463 0.022759 0.024157 0.014960 0.036405 0.001418 0.019523 -0.012839 0.016211 0.063544 -0.025382 -0.008920 0.034302 10.524492 9.105849 5.097977 2.737792 13.138592 0.110848 9.329035 -0.000005 71 C 17.588769 16.382576 4.048518 -0.089213 32.366595 0.38721975E+03 0.88670468E+04 8.878306 6.612246 0.003492 1.979983 0.999711 28.576849 81.778258 0.631703 0.423420 -1.056996 -0.007208 -0.030523 0.002708 0.031480 0.004133 -0.011340 -0.019713 -0.019645 -0.018730 -0.022528 -0.005450 0.027979 10.533319 9.470599 4.448753 4.126250 11.571739 0.925760 10.557619 -0.000000 72 C 18.174425 16.178990 5.229653 -0.012278 35.838340 0.39597802E+03 0.90354031E+04 9.442784 6.612282 0.062767 2.040902 0.999309 26.295985 72.905669 0.648286 0.414060 -1.072689 -0.015543 -0.027982 -0.018147 0.036795 0.004794 -0.011804 -0.003944 0.008777 0.008896 -0.009096 -0.007354 0.016450 12.253744 11.371850 6.523625 4.952293 14.214884 2.256107 11.174499 0.000002 73 C 19.039749 17.208953 5.869236 0.598409 24.891266 0.25197467E+03 0.52299526E+04 7.906505 5.632436 -0.108392 2.013720 0.999559 22.551285 63.302486 0.625026 0.472136 -1.019248 0.043940 0.011127 0.010070 0.046432 -0.093833 -0.041568 -0.026787 0.088813 -0.065045 -0.114988 -0.002985 0.117973 10.097084 9.334117 5.527188 2.896379 11.441932 1.727161 9.515203 0.000012 74 C 17.944431 14.988482 5.873851 -0.103349 32.700783 0.41901981E+03 0.97808232E+04 8.941509 6.874212 0.112614 2.010171 0.999757 29.067951 83.826492 0.620473 0.422905 -1.057926 -0.014198 -0.000062 -0.024237 0.028090 -0.010142 0.014377 -0.005008 0.015560 0.055145 -0.022084 -0.005775 0.027859 10.609904 9.318292 5.020921 3.057983 12.820865 1.213656 9.690555 0.000001 75 C 17.131747 14.026397 5.288217 -0.151963 32.779423 0.42918952E+03 0.10080822E+05 8.949658 6.958462 0.068948 1.995839 0.999478 29.523453 85.471504 0.616383 0.423067 -1.057576 0.013567 0.022938 0.012019 0.029235 0.007163 -0.004191 -0.018019 -0.040370 -0.053973 -0.024320 -0.012338 0.036658 10.509105 9.947982 4.345360 4.240171 11.540722 1.864664 10.038610 -0.000004 76 C 12.436767 9.580277 1.868461 0.674810 22.613215 0.22768179E+03 0.46224483E+04 7.534173 5.428092 -0.190588 2.013383 0.999268 21.445444 60.171637 0.621677 0.485286 -1.008991 0.006728 -0.036020 -0.056401 0.067260 -0.044572 0.041766 -0.106493 0.016037 -0.016797 -0.111937 -0.019940 0.131877 9.677161 7.456008 0.445348 -1.396820 8.973762 5.659123 12.601713 0.000010 77 C 12.897010 4.945194 8.927108 0.690084 21.794624 0.22425925E+03 0.45345226E+04 7.364350 5.396113 -0.185852 2.018749 0.999003 21.255858 59.465965 0.622131 0.486904 -1.008426 0.011735 -0.069267 -0.023269 0.074008 0.052359 -0.058193 -0.066413 0.073854 0.172176 -0.102148 -0.029839 0.131987 9.433793 7.218738 -2.479712 1.130071 14.909817 2.588835 6.172824 0.000009 78 C 12.544357 6.362999 9.316365 -0.009405 39.606506 0.41490783E+03 0.95405623E+04 9.995127 6.680290 0.113380 2.044057 0.999266 26.580549 73.025836 0.660410 0.403339 -1.084042 -0.007317 0.052272 0.014093 0.054630 0.000469 0.011623 -0.006468 0.024516 0.032560 -0.019463 -0.001742 0.021205 13.908035 11.198177 -4.426957 1.968121 22.767571 3.959668 7.758356 -0.000002 79 C 11.389595 6.969082 8.791203 -0.150128 38.038910 0.44914533E+03 0.10679509E+05 9.956381 7.151865 -0.130234 1.921928 0.999389 30.224891 88.293590 0.603196 0.427054 -1.054168 0.016287 0.009873 0.009431 0.021253 0.029275 -0.004266 0.005380 0.024161 0.066431 -0.043455 0.020471 0.022985 12.807464 12.873227 -6.553018 2.203368 18.837201 0.897179 6.711963 -0.000004 80 C 11.123610 8.285639 9.093887 0.002701 38.537745 0.39279792E+03 0.89317412E+04 9.829649 6.519805 0.088770 2.044073 0.999268 26.242392 72.285218 0.663755 0.405818 -1.079669 0.051923 -0.006014 0.025551 0.058181 0.007826 -0.011343 -0.000666 -0.020929 -0.007008 -0.018864 0.003342 0.015521 13.419470 16.524556 -5.748709 5.015912 15.659837 0.154506 8.074017 0.000000 81 C 11.935435 8.996247 9.920618 -0.245642 38.465260 0.48523204E+03 0.11790448E+05 10.014586 7.435710 -0.183890 1.896485 0.999042 31.700056 94.337287 0.589927 0.427294 -1.051534 -0.025695 -0.002520 -0.031710 0.040892 0.010047 -0.026028 -0.007124 -0.038052 0.026273 -0.038469 0.007456 0.031013 12.076995 15.067717 -1.125524 5.744344 12.152236 1.614424 9.011031 -0.000006 82 C 13.087821 8.387560 10.431776 0.273283 33.910856 0.34012687E+03 0.74919109E+04 9.196441 6.225109 0.059929 2.043406 0.999531 24.456028 67.213851 0.650834 0.427252 -1.061416 0.031880 0.021840 0.030708 0.049359 0.014047 0.017307 0.017765 -0.023374 -0.016139 -0.024676 -0.010334 0.035011 12.022977 11.469911 0.976330 4.509031 15.777742 4.491450 8.821276 0.000007 83 C 13.388962 7.080993 10.106016 -0.209581 37.255812 0.44426840E+03 0.10526231E+05 9.735335 7.061809 -0.058378 1.947397 0.999538 30.275248 88.051190 0.614131 0.420938 -1.058834 -0.003933 -0.027175 -0.008198 0.028656 -0.007837 -0.008791 -0.035398 0.057460 0.079491 -0.058524 0.016038 0.042486 12.042230 9.648922 -0.663674 2.450208 18.513584 4.614760 7.964183 -0.000007 84 C 13.815494 10.401606 11.464434 -0.069896 28.779607 0.35772944E+03 0.80717881E+04 8.387424 6.334155 -0.198508 1.944542 0.998079 27.951993 80.723616 0.645412 0.420585 -1.053437 0.030968 -0.082942 0.004049 0.088627 0.002381 -0.015501 0.014219 -0.058123 -0.025776 -0.035512 -0.002300 0.037812 10.609659 11.949921 3.581655 4.361394 10.262528 3.006387 9.616527 0.000003 85 C 14.978899 10.856412 12.264907 0.124694 34.230036 0.37885194E+03 0.85872032E+04 9.378085 6.587392 -0.186649 1.963826 0.999312 25.644869 71.887216 0.629122 0.429525 -1.058245 -0.015578 -0.021486 -0.010526 0.028550 0.006168 0.033359 0.002004 0.021252 -0.037636 -0.034383 -0.005151 0.039534 12.229556 16.049777 4.381649 5.110095 7.284219 3.939995 13.354673 0.000008 86 C 14.874148 11.213669 13.577811 -0.155756 33.065658 0.40746296E+03 0.94177390E+04 8.901159 6.709010 0.270720 2.059127 0.999850 29.056748 82.604472 0.639717 0.414248 -1.066465 0.029747 0.010344 0.018262 0.036406 0.006185 -0.021914 0.005866 0.037894 -0.021474 -0.025384 -0.008919 0.034303 10.524415 13.033845 2.185542 2.902806 5.840005 2.990844 12.699397 -0.000003 87 C 16.000406 11.569782 14.292349 -0.089217 32.366984 0.38722559E+03 0.88672196E+04 8.878404 6.612319 0.003522 1.979991 0.999711 28.577035 81.779140 0.631696 0.423423 -1.056993 -0.009498 -0.003237 -0.029839 0.031481 -0.001738 -0.005629 0.011279 -0.020857 0.068358 -0.022527 -0.005454 0.027981 10.533431 15.155113 2.402308 2.267578 5.523074 2.135198 10.922106 -0.000002 88 C 17.209110 11.609101 13.729312 -0.012277 35.838287 0.39597788E+03 0.90353995E+04 9.442773 6.612281 0.062798 2.040912 0.999308 26.295988 72.905685 0.648286 0.414060 -1.072689 -0.030223 -0.001995 -0.020895 0.036796 -0.004402 -0.001404 0.009983 -0.017593 -0.007980 -0.009096 -0.007354 0.016450 12.253711 17.985461 3.360599 4.535940 6.199962 2.897528 12.575710 0.000004 89 C 18.431047 11.955811 14.507347 0.598411 24.891142 0.25197351E+03 0.52299185E+04 7.906462 5.632412 -0.108316 2.013745 0.999558 22.551189 63.302002 0.625030 0.472134 -1.019250 0.031634 0.033172 0.007415 0.046434 -0.002140 -0.056992 -0.056329 -0.166678 -0.049428 -0.114989 -0.002985 0.117974 10.097016 14.075189 2.054386 3.724635 5.989578 2.972456 10.226281 0.000012 90 C 17.317284 11.295378 12.396994 -0.103350 32.700705 0.41901880E+03 0.97807937E+04 8.941486 6.874196 0.112605 2.010167 0.999758 29.067946 83.826450 0.620474 0.422904 -1.057927 -0.026976 -0.002143 0.007526 0.028088 0.000715 -0.019379 -0.005957 0.024814 -0.031590 -0.022083 -0.005777 0.027861 10.609866 14.058390 2.049950 3.433467 5.978583 2.524516 11.792625 0.000001 91 C 16.183852 10.962506 11.666542 -0.151969 32.779685 0.42919390E+03 0.10080951E+05 8.949699 6.958495 0.068952 1.995837 0.999478 29.523625 85.472111 0.616382 0.423066 -1.057576 0.022732 0.003608 0.018025 0.029235 0.004213 0.003281 0.007435 -0.010356 0.105821 -0.024319 -0.012340 0.036659 10.509148 15.384530 2.604968 3.007777 5.857889 1.606008 10.285024 -0.000004 92 C 9.914856 8.896689 8.514141 0.674809 22.613149 0.22768135E+03 0.46224365E+04 7.534157 5.428087 -0.190641 2.013366 0.999269 21.445413 60.171518 0.621678 0.485286 -1.008991 -0.054659 0.035528 -0.016557 0.067260 0.047362 -0.101370 -0.010363 -0.004896 0.174173 -0.111941 -0.019940 0.131881 9.677126 12.955248 -4.001576 3.482561 10.111460 -0.816007 5.964670 0.000008 93 C 14.800997 6.913133 1.902676 0.690079 21.794859 0.22426163E+03 0.45345864E+04 7.364420 5.396153 -0.185784 2.018769 0.999002 21.256016 59.466667 0.622126 0.486906 -1.008424 -0.033626 0.030392 -0.058505 0.074008 -0.021780 -0.049136 0.101465 -0.064459 -0.042264 -0.102143 -0.029838 0.131982 9.433906 8.528931 -0.373317 2.931026 7.257784 -4.543008 12.515004 0.000009 94 C 15.364470 6.228613 3.127416 -0.009406 39.607004 0.41491244E+03 0.95407014E+04 9.995227 6.680336 0.113343 2.044044 0.999265 26.580717 73.026591 0.660406 0.403340 -1.084041 0.023144 -0.020064 0.045238 0.054632 0.007603 -0.013633 0.003389 0.016613 -0.033138 -0.019460 -0.001744 0.021204 13.908213 11.895352 0.126915 4.609984 10.885848 -7.774483 18.943440 -0.000003 95 C 14.563247 5.341456 3.867416 -0.150140 38.039618 0.44915401E+03 0.10679776E+05 9.956527 7.151950 -0.130284 1.921910 0.999389 30.225195 88.294955 0.603190 0.427056 -1.054166 0.018145 0.009016 0.006428 0.021257 -0.005078 0.005141 0.030096 0.019941 -0.065752 -0.043453 0.020472 0.022981 12.807688 9.388582 1.825083 0.701202 11.918132 -8.125195 17.116351 -0.000003 96 C 15.064800 4.785984 5.023090 0.002699 38.538133 0.39280147E+03 0.89318479E+04 9.829733 6.519846 0.088727 2.044059 0.999268 26.242529 72.285855 0.663751 0.405819 -1.079668 0.043581 0.036023 -0.013708 0.058180 -0.008084 0.008223 0.008127 -0.008863 0.031976 -0.018861 0.003343 0.015518 13.419612 12.894307 4.822590 -1.084665 12.539482 -7.341920 14.825048 -0.000001 97 C 16.331615 5.049630 5.439241 -0.245645 38.465279 0.48523243E+03 0.11790460E+05 10.014582 7.435706 -0.183910 1.896479 0.999041 31.700105 94.337451 0.589928 0.427293 -1.051534 -0.039219 -0.008793 0.007530 0.040892 -0.024178 0.004520 0.017551 -0.018324 0.054914 -0.038466 0.007461 0.031005 12.076991 15.411945 4.927269 0.680756 9.934299 -3.568881 10.884731 -0.000003 98 C 17.119189 5.941103 4.701150 0.273285 33.910984 0.34012801E+03 0.74919451E+04 9.196474 6.225125 0.059946 2.043411 0.999530 24.456083 67.214128 0.650832 0.427253 -1.061416 0.046571 0.011976 0.011132 0.049358 0.005652 0.021556 -0.002131 0.043225 0.005636 -0.024678 -0.010335 0.035014 12.023030 15.748530 2.398447 4.835300 7.894476 -3.018235 12.426083 0.000006 99 C 16.616927 6.536431 3.562186 -0.209587 37.256119 0.44427267E+03 0.10526361E+05 9.735395 7.061846 -0.058415 1.947385 0.999538 30.275410 88.051884 0.614129 0.420938 -1.058833 -0.016295 0.003920 -0.023243 0.028655 0.000472 -0.045594 0.018061 -0.027313 -0.042689 -0.058524 0.016043 0.042481 12.042315 13.026060 0.391114 5.458307 8.364183 -4.362947 14.736702 -0.000003 100 C 18.884935 5.854880 6.290798 -0.069895 28.779668 0.35773034E+03 0.80718148E+04 8.387451 6.334175 -0.198526 1.944537 0.998079 27.952032 80.723806 0.645409 0.420587 -1.053435 -0.005576 0.037639 -0.080042 0.088626 -0.019827 0.024521 -0.004557 -0.005864 0.062385 -0.035511 -0.002302 0.037813 10.609698 15.836501 3.274292 3.250763 7.580670 0.624244 8.411923 0.000003 101 C 20.218449 6.479337 6.472217 0.124691 34.230015 0.37885189E+03 0.85872007E+04 9.378076 6.587388 -0.186631 1.963832 0.999312 25.644861 71.887153 0.629123 0.429525 -1.058245 -0.021985 -0.006251 -0.017111 0.028552 0.030792 0.001515 -0.005924 0.038472 -0.019045 -0.034382 -0.005151 0.039533 12.229544 20.347942 4.025036 2.381078 10.804224 1.659583 5.536466 0.000009 102 C 21.380289 5.767073 6.400604 -0.155750 33.065406 0.40745876E+03 0.94176180E+04 8.901107 6.708967 0.270684 2.059118 0.999849 29.056643 82.604079 0.639720 0.414247 -1.066466 0.031874 0.017104 0.004109 0.036406 -0.000090 0.007826 0.010298 -0.046415 -0.054148 -0.025382 -0.008920 0.034302 10.524354 16.436268 1.699666 0.857420 10.402990 0.872367 4.733803 -0.000005 103 C 22.596725 6.409718 6.515185 -0.089215 32.367002 0.38722586E+03 0.88672260E+04 8.878412 6.612327 0.003511 1.979988 0.999711 28.577017 81.779053 0.631695 0.423424 -1.056993 -0.030457 0.004915 0.006265 0.031481 -0.023311 0.001839 -0.000817 0.019098 -0.016029 -0.022526 -0.005454 0.027980 10.533443 14.744190 3.115884 0.815781 12.073590 1.348298 4.782550 -0.000002 104 C 22.682303 7.723715 6.728751 -0.012279 35.838401 0.39597912E+03 0.90354336E+04 9.442786 6.612286 0.062778 2.040905 0.999308 26.296035 72.905810 0.648287 0.414059 -1.072690 -0.031988 -0.017577 0.004644 0.036793 -0.006451 0.008825 -0.008720 0.002616 0.008814 -0.009096 -0.007354 0.016450 12.253738 18.916132 4.883642 1.194185 12.743184 1.379510 5.101897 0.000004 105 C 23.993393 8.425399 6.814527 0.598405 24.891248 0.25197452E+03 0.52299454E+04 7.906485 5.632424 -0.108381 2.013723 0.999559 22.551254 63.302246 0.625029 0.472134 -1.019250 0.029919 0.020220 0.029185 0.046430 -0.046539 -0.004526 0.020071 -0.068002 0.343442 -0.114990 -0.002984 0.117974 10.097052 15.487517 3.457767 1.364354 10.166211 0.184064 4.637429 0.000012 106 C 21.517736 8.441219 6.847787 -0.103348 32.700703 0.41901892E+03 0.97807952E+04 8.941481 6.874194 0.112563 2.010154 0.999757 29.067935 83.826361 0.620475 0.422903 -1.057927 -0.006525 -0.026965 -0.004392 0.028089 0.002105 -0.000295 0.007728 -0.047868 -0.011794 -0.022084 -0.005777 0.027861 10.609860 16.166300 2.823809 0.665923 10.616030 0.639135 5.047249 -0.000001 107 C 20.291052 7.795760 6.760260 -0.151967 32.779741 0.42919488E+03 0.10080983E+05 8.949726 6.958517 0.068984 1.995849 0.999478 29.523637 85.472275 0.616379 0.423068 -1.057575 0.026601 0.011923 -0.002215 0.029235 -0.020859 -0.005953 0.006388 0.041022 -0.036609 -0.024318 -0.012339 0.036658 10.509182 14.734785 4.004539 0.676321 11.455976 1.375642 5.336785 -0.000002 108 C 14.194214 3.873673 5.784892 0.674809 22.613158 0.22768113E+03 0.46224305E+04 7.534154 5.428079 -0.190636 2.013368 0.999268 21.445416 60.171491 0.621679 0.485285 -1.008992 -0.028998 -0.046557 0.038923 0.067257 -0.078091 0.005132 0.083543 -0.088216 -0.036390 -0.111938 -0.019940 0.131878 9.677133 9.019951 4.069108 -1.714765 9.821056 -4.616209 10.190391 0.000010 109 C 25.695042 10.633356 9.943694 0.690081 21.794881 0.22426165E+03 0.45345882E+04 7.364441 5.396163 -0.185831 2.018755 0.999002 21.256004 59.466707 0.622124 0.486907 -1.008423 0.056314 0.008952 -0.047174 0.074006 -0.062367 0.084330 -0.049119 -0.041929 -0.078835 -0.102143 -0.029838 0.131981 9.433941 11.302438 1.247562 -5.222498 6.525647 1.243874 10.473739 0.000009 110 C 24.593575 10.564076 10.977148 -0.009407 39.607150 0.41491370E+03 0.95407416E+04 9.995268 6.680358 0.113355 2.044049 0.999265 26.580748 73.026819 0.660403 0.403342 -1.084040 -0.043200 -0.003892 0.033213 0.054631 0.002761 0.009845 0.007869 -0.030040 -0.016827 -0.019459 -0.001746 0.021205 13.908284 16.775958 1.920415 -8.299583 8.651544 2.762005 16.297351 -0.000001 111 C 24.580121 11.471012 12.051342 -0.150135 38.039643 0.44915424E+03 0.10679788E+05 9.956554 7.151967 -0.130271 1.921915 0.999388 30.225185 88.295091 0.603187 0.427058 -1.054164 -0.016211 -0.012088 -0.006549 0.021255 0.011136 0.024676 -0.019852 -0.007931 -0.057449 -0.043455 0.020476 0.022979 12.807726 12.284454 -0.244794 -6.501817 8.880723 5.028068 17.258002 -0.000005 112 C 23.529301 11.445370 12.940615 0.002697 38.538223 0.39280249E+03 0.89318772E+04 9.829744 6.519850 0.088731 2.044059 0.999268 26.242576 72.286015 0.663751 0.405819 -1.079668 -0.018302 -0.039592 -0.038504 0.058182 -0.006694 -0.001912 -0.010538 0.022673 -0.013796 -0.018862 0.003342 0.015520 13.419633 11.176633 1.358303 -3.618762 11.953941 7.378581 17.128325 -0.000001 113 C 22.526872 10.535309 12.820465 -0.245644 38.465506 0.48523548E+03 0.11790561E+05 10.014649 7.435748 -0.183917 1.896476 0.999041 31.700160 94.337935 0.589924 0.427295 -1.051532 0.013950 0.036916 0.010709 0.040891 -0.020271 -0.003384 -0.025654 0.021163 -0.025908 -0.038467 0.007461 0.031007 12.077084 11.844523 4.014502 -0.771182 12.237466 5.412303 12.149262 -0.000003 114 C 22.543727 9.641965 11.742770 0.273283 33.911081 0.34012859E+03 0.74919626E+04 9.196492 6.225130 0.059975 2.043420 0.999530 24.456131 67.214319 0.650832 0.427253 -1.061415 -0.033965 -0.034934 -0.007892 0.049359 0.022117 -0.008618 0.002864 0.022949 -0.056674 -0.024681 -0.010333 0.035014 12.023062 15.675694 5.380372 -3.011277 10.260677 2.399936 10.132815 0.000005 115 C 23.569637 9.681152 10.820873 -0.209586 37.256010 0.44427075E+03 0.10526300E+05 9.735353 7.061812 -0.058462 1.947370 0.999537 30.275390 88.051633 0.614133 0.420936 -1.058835 0.025983 0.005007 -0.010998 0.028656 -0.027867 0.028893 0.001746 -0.066216 0.019815 -0.058522 0.016042 0.042479 12.042267 16.135491 3.715128 -5.418297 8.409051 1.271102 11.582258 -0.000006 116 C 20.419319 8.745625 12.322198 -0.069895 28.779576 0.35772846E+03 0.80717658E+04 8.387425 6.334148 -0.198508 1.944542 0.998079 27.952053 80.723966 0.645412 0.420585 -1.053436 0.059728 -0.024302 -0.060803 0.088628 -0.001626 -0.022815 -0.018099 0.044468 -0.005970 -0.035511 -0.002302 0.037813 10.609672 13.517859 5.298808 1.180089 11.020167 1.746488 7.290989 0.000003 117 C 19.484433 7.726073 11.785897 0.124693 34.230042 0.37885156E+03 0.85871924E+04 9.378090 6.587389 -0.186659 1.963823 0.999312 25.644847 71.887145 0.629122 0.429525 -1.058245 0.026224 0.011273 0.000581 0.028550 0.019956 0.006298 0.029098 -0.001468 -0.034766 -0.034383 -0.005151 0.039535 12.229584 12.657514 7.457022 3.983977 14.729683 1.418377 9.301555 0.000009 118 C 19.214126 6.559259 12.439961 -0.155756 33.065826 0.40746513E+03 0.94178043E+04 8.901212 6.709048 0.270712 2.059125 0.999849 29.056777 82.604698 0.639712 0.414250 -1.066464 -0.022759 -0.024157 -0.014960 0.036406 0.001418 0.019523 -0.012839 0.016212 0.063545 -0.025382 -0.008920 0.034302 10.524491 9.105849 5.097978 2.737790 13.138593 0.110849 9.329031 -0.000004 119 C 18.384021 5.617601 11.865466 -0.089214 32.366616 0.38722004E+03 0.88670551E+04 8.878310 6.612248 0.003491 1.979983 0.999711 28.576862 81.778308 0.631703 0.423420 -1.056996 0.007208 0.030524 -0.002708 0.031480 0.004133 -0.011341 -0.019713 -0.019646 -0.018730 -0.022528 -0.005451 0.027979 10.533324 9.470604 4.448756 4.126252 11.571746 0.925761 10.557623 -0.000002 120 C 17.798365 5.821187 10.684331 -0.012278 35.838341 0.39597801E+03 0.90354028E+04 9.442784 6.612282 0.062767 2.040902 0.999309 26.295985 72.905667 0.648286 0.414060 -1.072689 0.015543 0.027981 0.018147 0.036795 0.004794 -0.011804 -0.003944 0.008777 0.008896 -0.009096 -0.007354 0.016450 12.253744 11.371851 6.523625 4.952293 14.214884 2.256107 11.174498 0.000003 121 C 16.933041 4.791224 10.044748 0.598409 24.891269 0.25197470E+03 0.52299535E+04 7.906507 5.632437 -0.108394 2.013719 0.999559 22.551289 63.302507 0.625026 0.472136 -1.019248 -0.043940 -0.011127 -0.010070 0.046432 -0.093833 -0.041568 -0.026787 0.088813 -0.065045 -0.114988 -0.002985 0.117974 10.097086 9.334119 5.527189 2.896380 11.441933 1.727162 9.515205 0.000012 122 C 18.028359 7.011695 10.040133 -0.103349 32.700760 0.41901949E+03 0.97808132E+04 8.941504 6.874209 0.112617 2.010172 0.999757 29.067934 83.826414 0.620473 0.422905 -1.057926 0.014198 0.000062 0.024237 0.028089 -0.010143 0.014377 -0.005008 0.015559 0.055144 -0.022084 -0.005775 0.027859 10.609897 9.318287 5.020918 3.057979 12.820858 1.213654 9.690547 0.000001 123 C 18.841043 7.973780 10.625767 -0.151963 32.779421 0.42918955E+03 0.10080823E+05 8.949657 6.958463 0.068950 1.995840 0.999478 29.523450 85.471483 0.616383 0.423067 -1.057576 -0.013567 -0.022938 -0.012019 0.029235 0.007163 -0.004191 -0.018019 -0.040369 -0.053975 -0.024320 -0.012337 0.036657 10.509103 9.947982 4.345359 4.240170 11.540719 1.864663 10.038608 -0.000005 124 C 23.536023 12.419900 14.045523 0.674810 22.613214 0.22768176E+03 0.46224478E+04 7.534176 5.428093 -0.190590 2.013383 0.999268 21.445448 60.171668 0.621677 0.485286 -1.008991 -0.006728 0.036020 0.056401 0.067260 -0.044572 0.041766 -0.106493 0.016037 -0.016796 -0.111937 -0.019940 0.131877 9.677165 7.456009 0.445348 -1.396820 8.973765 5.659127 12.601721 0.000010 125 C 23.075780 17.054983 6.986876 0.690084 21.794625 0.22425924E+03 0.45345224E+04 7.364351 5.396114 -0.185854 2.018748 0.999003 21.255859 59.465978 0.622131 0.486904 -1.008426 -0.011735 0.069267 0.023269 0.074008 0.052359 -0.058193 -0.066413 0.073854 0.172176 -0.102148 -0.029839 0.131987 9.433796 7.218740 -2.479714 1.130071 14.909822 2.588836 6.172825 0.000008 126 C 23.428433 15.637178 6.597619 -0.009406 39.606589 0.41490872E+03 0.95405888E+04 9.995143 6.680299 0.113375 2.044055 0.999266 26.580580 73.025966 0.660409 0.403339 -1.084042 0.007316 -0.052272 -0.014092 0.054630 0.000469 0.011623 -0.006468 0.024516 0.032559 -0.019462 -0.001743 0.021205 13.908060 11.198196 -4.426969 1.968124 22.767616 3.959675 7.758367 -0.000002 127 C 24.583195 15.031095 7.122781 -0.150128 38.038921 0.44914543E+03 0.10679513E+05 9.956384 7.151867 -0.130235 1.921928 0.999389 30.224897 88.293625 0.603196 0.427054 -1.054168 -0.016287 -0.009873 -0.009430 0.021253 0.029275 -0.004266 0.005380 0.024161 0.066429 -0.043455 0.020471 0.022984 12.807469 12.873233 -6.553022 2.203370 18.837208 0.897178 6.711965 -0.000005 128 C 24.849180 13.714538 6.820097 0.002701 38.537751 0.39279795E+03 0.89317422E+04 9.829651 6.519805 0.088770 2.044073 0.999268 26.242393 72.285225 0.663755 0.405818 -1.079669 -0.051923 0.006014 -0.025551 0.058181 0.007826 -0.011343 -0.000666 -0.020929 -0.007008 -0.018864 0.003342 0.015521 13.419474 16.524561 -5.748711 5.015914 15.659841 0.154505 8.074019 -0.000001 129 C 24.037355 13.003930 5.993366 -0.245642 38.465258 0.48523198E+03 0.11790446E+05 10.014586 7.435710 -0.183890 1.896485 0.999042 31.700055 94.337285 0.589927 0.427294 -1.051533 0.025695 0.002520 0.031710 0.040892 0.010047 -0.026028 -0.007124 -0.038052 0.026275 -0.038469 0.007456 0.031014 12.076995 15.067716 -1.125523 5.744345 12.152238 1.614425 9.011032 -0.000002 130 C 22.884969 13.612617 5.482208 0.273283 33.910852 0.34012686E+03 0.74919103E+04 9.196439 6.225108 0.059929 2.043406 0.999531 24.456026 67.213834 0.650834 0.427252 -1.061417 -0.031880 -0.021840 -0.030708 0.049359 0.014047 0.017307 0.017765 -0.023374 -0.016139 -0.024677 -0.010334 0.035011 12.022975 11.469910 0.976332 4.509031 15.777738 4.491450 8.821276 0.000004 131 C 22.583828 14.919184 5.807968 -0.209580 37.255803 0.44426833E+03 0.10526229E+05 9.735334 7.061809 -0.058379 1.947397 0.999538 30.275244 88.051175 0.614131 0.420938 -1.058834 0.003933 0.027175 0.008198 0.028656 -0.007837 -0.008791 -0.035398 0.057460 0.079493 -0.058525 0.016038 0.042486 12.042227 9.648921 -0.663672 2.450208 18.513578 4.614759 7.964183 -0.000004 132 C 22.157296 11.598571 4.449550 -0.069896 28.779612 0.35772949E+03 0.80717888E+04 8.387424 6.334155 -0.198507 1.944543 0.998079 27.951985 80.723570 0.645412 0.420585 -1.053437 -0.030968 0.082942 -0.004049 0.088627 0.002382 -0.015501 0.014219 -0.058124 -0.025776 -0.035512 -0.002300 0.037812 10.609661 11.949925 3.581658 4.361400 10.262528 3.006389 9.616531 0.000004 133 C 20.993891 11.143765 3.649077 0.124694 34.230045 0.37885199E+03 0.85872050E+04 9.378087 6.587393 -0.186650 1.963826 0.999312 25.644874 71.887242 0.629122 0.429525 -1.058245 0.015578 0.021486 0.010526 0.028550 0.006168 0.033359 0.002005 0.021252 -0.037637 -0.034383 -0.005151 0.039534 12.229561 16.049782 4.381651 5.110099 7.284221 3.939998 13.354680 0.000008 134 C 21.098642 10.786508 2.336173 -0.155757 33.065734 0.40746400E+03 0.94177698E+04 8.901174 6.709020 0.270715 2.059125 0.999850 29.056787 82.604635 0.639716 0.414248 -1.066465 -0.029747 -0.010344 -0.018262 0.036406 0.006186 -0.021914 0.005866 0.037895 -0.021473 -0.025384 -0.008919 0.034304 10.524436 13.033869 2.185549 2.902818 5.840015 2.990853 12.699424 -0.000004 135 C 19.972384 10.430395 1.621635 -0.089216 32.367030 0.38722611E+03 0.88672364E+04 8.878417 6.612326 0.003517 1.979989 0.999711 28.577062 81.779296 0.631695 0.423424 -1.056993 0.009498 0.003236 0.029839 0.031481 -0.001738 -0.005629 0.011278 -0.020856 0.068360 -0.022527 -0.005454 0.027981 10.533448 15.155132 2.402312 2.267582 5.523082 2.135204 10.922130 -0.000002 136 C 18.763680 10.391076 2.184672 -0.012277 35.838326 0.39597826E+03 0.90354113E+04 9.442782 6.612285 0.062796 2.040911 0.999308 26.296003 72.905764 0.648286 0.414060 -1.072689 0.030223 0.001995 0.020895 0.036796 -0.004402 -0.001404 0.009984 -0.017593 -0.007980 -0.009096 -0.007354 0.016450 12.253725 17.985481 3.360604 4.535944 6.199968 2.897533 12.575726 0.000003 137 C 17.541743 10.044366 1.406637 0.598411 24.891137 0.25197343E+03 0.52299166E+04 7.906462 5.632412 -0.108316 2.013745 0.999558 22.551190 63.302018 0.625030 0.472134 -1.019250 -0.031634 -0.033172 -0.007415 0.046433 -0.002140 -0.056992 -0.056329 -0.166678 -0.049428 -0.114989 -0.002985 0.117974 10.097017 14.075191 2.054388 3.724637 5.989578 2.972457 10.226282 0.000012 138 C 18.655506 10.704799 3.516990 -0.103350 32.700744 0.41901932E+03 0.97808106E+04 8.941497 6.874203 0.112601 2.010165 0.999758 29.067971 83.826588 0.620474 0.422904 -1.057927 0.026976 0.002144 -0.007526 0.028089 0.000714 -0.019379 -0.005956 0.024813 -0.031591 -0.022083 -0.005777 0.027860 10.609880 14.058410 2.049953 3.433471 5.978590 2.524520 11.792642 0.000001 139 C 19.788938 11.037671 4.247442 -0.151969 32.779713 0.42919429E+03 0.10080963E+05 8.949708 6.958501 0.068948 1.995836 0.999478 29.523643 85.472216 0.616381 0.423067 -1.057576 -0.022732 -0.003608 -0.018025 0.029235 0.004212 0.003281 0.007434 -0.010357 0.105821 -0.024319 -0.012340 0.036659 10.509160 15.384547 2.604972 3.007783 5.857895 1.606012 10.285038 -0.000004 140 C 26.057934 13.103488 7.399843 0.674809 22.613150 0.22768135E+03 0.46224368E+04 7.534157 5.428087 -0.190640 2.013366 0.999269 21.445416 60.171528 0.621678 0.485286 -1.008991 0.054659 -0.035528 0.016557 0.067260 0.047362 -0.101370 -0.010363 -0.004895 0.174172 -0.111941 -0.019940 0.131881 9.677126 12.955248 -4.001576 3.482562 10.111460 -0.816007 5.964670 0.000009 141 C 21.171793 15.087044 14.011308 0.690079 21.794855 0.22426162E+03 0.45345858E+04 7.364417 5.396151 -0.185784 2.018769 0.999002 21.256012 59.466639 0.622127 0.486905 -1.008424 0.033626 -0.030392 0.058505 0.074008 -0.021780 -0.049136 0.101465 -0.064459 -0.042264 -0.102143 -0.029839 0.131982 9.433901 8.528928 -0.373316 2.931023 7.257781 -4.543005 12.514996 0.000009 142 C 20.608320 15.771564 12.786568 -0.009405 39.606917 0.41491157E+03 0.95406750E+04 9.995208 6.680326 0.113347 2.044046 0.999265 26.580687 73.026448 0.660407 0.403340 -1.084041 -0.023145 0.020064 -0.045238 0.054633 0.007603 -0.013634 0.003390 0.016612 -0.033137 -0.019460 -0.001744 0.021204 13.908184 11.895330 0.126914 4.609975 10.885825 -7.774463 18.943396 -0.000001 143 C 21.409543 16.658721 12.046568 -0.150140 38.039628 0.44915419E+03 0.10679781E+05 9.956527 7.151950 -0.130285 1.921910 0.999389 30.225200 88.294957 0.603190 0.427056 -1.054166 -0.018145 -0.009015 -0.006428 0.021257 -0.005077 0.005141 0.030096 0.019940 -0.065752 -0.043453 0.020472 0.022981 12.807688 9.388581 1.825079 0.701206 11.918130 -8.125195 17.116353 -0.000004 144 C 20.907990 17.214193 10.890894 0.002699 38.538144 0.39280160E+03 0.89318515E+04 9.829734 6.519846 0.088725 2.044058 0.999268 26.242535 72.285875 0.663751 0.405819 -1.079668 -0.043581 -0.036024 0.013708 0.058180 -0.008084 0.008223 0.008127 -0.008863 0.031977 -0.018860 0.003342 0.015518 13.419613 12.894311 4.822588 -1.084661 12.539480 -7.341917 14.825048 -0.000002 145 C 19.641175 16.950547 10.474743 -0.245646 38.465304 0.48523280E+03 0.11790472E+05 10.014586 7.435708 -0.183911 1.896478 0.999041 31.700120 94.337513 0.589928 0.427293 -1.051534 0.039219 0.008793 -0.007530 0.040892 -0.024178 0.004520 0.017550 -0.018324 0.054914 -0.038466 0.007462 0.031004 12.076997 15.411956 4.927272 0.680759 9.934301 -3.568880 10.884734 -0.000002 146 C 18.853601 16.059074 11.212834 0.273285 33.910956 0.34012775E+03 0.74919375E+04 9.196469 6.225122 0.059947 2.043411 0.999530 24.456071 67.214078 0.650832 0.427253 -1.061416 -0.046571 -0.011976 -0.011132 0.049358 0.005651 0.021556 -0.002130 0.043225 0.005635 -0.024678 -0.010335 0.035013 12.023022 15.748521 2.398447 4.835294 7.894471 -3.018233 12.426072 0.000007 147 C 19.355863 15.463746 12.351798 -0.209587 37.256037 0.44427163E+03 0.10526328E+05 9.735375 7.061834 -0.058409 1.947387 0.999538 30.275374 88.051694 0.614130 0.420938 -1.058834 0.016295 -0.003921 0.023242 0.028655 0.000472 -0.045594 0.018061 -0.027313 -0.042688 -0.058524 0.016042 0.042482 12.042288 13.026032 0.391114 5.458293 8.364166 -4.362936 14.736667 -0.000007 148 C 17.087855 16.145297 9.623186 -0.069895 28.779662 0.35773023E+03 0.80718124E+04 8.387451 6.334174 -0.198527 1.944537 0.998079 27.952035 80.723835 0.645409 0.420587 -1.053435 0.005576 -0.037640 0.080042 0.088626 -0.019827 0.024521 -0.004557 -0.005864 0.062385 -0.035511 -0.002302 0.037813 10.609699 15.836502 3.274294 3.250761 7.580674 0.624244 8.411920 0.000004 149 C 15.754341 15.520840 9.441767 0.124691 34.230016 0.37885185E+03 0.85871997E+04 9.378077 6.587388 -0.186632 1.963832 0.999312 25.644861 71.887160 0.629123 0.429525 -1.058245 0.021985 0.006251 0.017112 0.028552 0.030792 0.001514 -0.005924 0.038472 -0.019045 -0.034382 -0.005151 0.039533 12.229547 20.347950 4.025042 2.381077 10.804225 1.659583 5.536466 0.000009 150 C 14.592501 16.233104 9.513380 -0.155750 33.065422 0.40745891E+03 0.94176234E+04 8.901114 6.708971 0.270685 2.059118 0.999849 29.056646 82.604127 0.639719 0.414247 -1.066466 -0.031874 -0.017104 -0.004109 0.036406 -0.000090 0.007826 0.010299 -0.046415 -0.054148 -0.025382 -0.008921 0.034302 10.524364 16.436286 1.699672 0.857420 10.402999 0.872368 4.733806 -0.000004 151 C 13.376065 15.590459 9.398799 -0.089216 32.367043 0.38722635E+03 0.88672412E+04 8.878424 6.612334 0.003509 1.979987 0.999711 28.577037 81.779165 0.631694 0.423424 -1.056992 0.030457 -0.004915 -0.006265 0.031481 -0.023311 0.001840 -0.000817 0.019097 -0.016029 -0.022526 -0.005454 0.027980 10.533460 14.744216 3.115893 0.815783 12.073607 1.348300 4.782555 -0.000001 152 C 13.290487 14.276462 9.185233 -0.012279 35.838418 0.39597923E+03 0.90354376E+04 9.442792 6.612289 0.062778 2.040905 0.999308 26.296039 72.905848 0.648286 0.414059 -1.072689 0.031988 0.017577 -0.004644 0.036793 -0.006450 0.008825 -0.008720 0.002616 0.008815 -0.009096 -0.007354 0.016450 12.253749 18.916152 4.883650 1.194186 12.743194 1.379511 5.101900 0.000003 153 C 11.979397 13.574778 9.099457 0.598405 24.891249 0.25197449E+03 0.52299450E+04 7.906488 5.632425 -0.108381 2.013723 0.999559 22.551258 63.302279 0.625029 0.472134 -1.019249 -0.029919 -0.020220 -0.029185 0.046430 -0.046539 -0.004526 0.020071 -0.068002 0.343442 -0.114989 -0.002984 0.117974 10.097057 15.487526 3.457771 1.364354 10.166216 0.184064 4.637430 0.000012 154 C 14.455054 13.558958 9.066197 -0.103348 32.700709 0.41901900E+03 0.97807979E+04 8.941482 6.874195 0.112562 2.010154 0.999757 29.067939 83.826379 0.620475 0.422904 -1.057927 0.006526 0.026965 0.004392 0.028089 0.002105 -0.000295 0.007728 -0.047868 -0.011793 -0.022084 -0.005776 0.027861 10.609862 16.166303 2.823810 0.665922 10.616033 0.639135 5.047250 0.000001 155 C 15.681738 14.204417 9.153724 -0.151968 32.779777 0.42919548E+03 0.10081000E+05 8.949733 6.958523 0.068983 1.995848 0.999478 29.523654 85.472336 0.616378 0.423068 -1.057575 -0.026601 -0.011923 0.002215 0.029235 -0.020859 -0.005954 0.006388 0.041021 -0.036610 -0.024318 -0.012340 0.036658 10.509191 14.734797 4.004545 0.676321 11.455986 1.375643 5.336789 -0.000005 156 C 21.778576 18.126504 10.129092 0.674809 22.613168 0.22768126E+03 0.46224337E+04 7.534156 5.428081 -0.190637 2.013367 0.999268 21.445422 60.171510 0.621679 0.485285 -1.008992 0.028998 0.046557 -0.038923 0.067257 -0.078091 0.005132 0.083543 -0.088216 -0.036390 -0.111938 -0.019940 0.131878 9.677134 9.019954 4.069110 -1.714765 9.821057 -4.616209 10.190391 0.000010 157 O 10.274601 12.229409 6.846355 -0.632616 36.942296 0.57580668E+03 0.14111815E+05 8.891046 7.501757 0.120479 2.073964 0.997121 28.663767 76.610993 0.681898 0.366506 -1.130684 0.019115 0.010682 -0.078129 0.081140 -0.049384 0.068859 -0.009745 -0.042959 -0.058795 -0.091157 0.003241 0.087917 10.288371 9.407305 -0.881926 -3.240953 8.182078 3.796952 13.275730 -0.000007 158 O 9.468651 10.410384 5.861439 -0.718662 40.059187 0.62130829E+03 0.15500818E+05 9.323240 7.704236 0.293478 2.096489 0.998666 30.196236 81.113800 0.685291 0.358248 -1.138497 0.099360 0.036393 -0.016567 0.107104 -0.020146 0.045113 -0.041471 -0.036207 -0.102614 -0.071259 -0.003839 0.075098 11.277432 16.018596 4.090230 -4.275196 8.849077 -1.204616 8.964623 -0.000010 159 O 19.455930 18.169135 5.172363 -0.656333 34.055775 0.50104277E+03 0.11840109E+05 8.275946 6.841425 0.465913 2.169531 0.998257 28.794501 75.160074 0.739904 0.350308 -1.145443 -0.002963 -0.067698 -0.083106 0.107231 -0.002231 -0.050106 -0.059390 0.017123 -0.128948 -0.096181 0.024350 0.071831 9.735195 8.805338 4.676149 0.045360 12.801558 -1.702129 7.598689 -0.000012 160 O 19.312681 17.123770 7.076630 -0.661226 38.466093 0.58872145E+03 0.14473043E+05 9.047242 7.505844 0.474766 2.174393 0.997818 29.101043 77.278949 0.694281 0.358856 -1.139451 -0.010060 -0.098472 -0.022494 0.101508 -0.057785 0.007867 -0.003303 0.088241 0.142381 -0.096435 0.039668 0.056767 10.343722 8.812873 2.596907 2.709334 8.086415 1.120241 14.131877 -0.000008 161 O 11.468902 8.805320 1.704229 -0.621347 32.178644 0.49093778E+03 0.11532371E+05 7.982600 6.798151 0.438994 2.181597 0.998259 27.870981 72.327775 0.738631 0.353010 -1.144237 -0.030265 0.066475 0.043359 0.084940 0.013561 0.051984 -0.047993 0.022380 -0.086742 -0.086465 0.024939 0.061525 9.091353 8.536671 2.502050 1.381905 8.906402 3.570808 9.830985 -0.000011 162 O 13.447218 9.536337 1.114297 -0.763516 51.336507 0.82519527E+03 0.22123532E+05 11.069165 8.993589 -0.031214 1.968956 0.998118 32.228304 90.039849 0.621538 0.367570 -1.130068 -0.074750 0.035055 0.083517 0.117437 -0.065839 0.025541 -0.082870 0.023762 0.047856 -0.101328 -0.016314 0.117642 13.465251 13.288814 -2.265384 -5.266387 9.294091 3.996977 17.812847 -0.000006 163 O 14.385563 13.296589 4.393055 -0.199098 27.196398 0.30608829E+03 0.63844109E+04 7.275805 5.345905 0.445264 2.263885 0.999524 22.424017 54.701829 0.838697 0.350128 -1.147438 0.054624 -0.114218 -0.141040 0.189530 0.085014 -0.086065 -0.009050 0.199136 -0.195980 -0.116018 -0.075166 0.191185 9.292442 14.805229 5.837330 -1.295735 7.994702 0.170318 5.077394 -0.000007 164 O 13.876599 4.440337 9.472162 -0.632610 36.942093 0.57580359E+03 0.14111720E+05 8.891016 7.501743 0.120481 2.073966 0.997121 28.663668 76.610668 0.681898 0.366506 -1.130683 -0.054371 0.049297 0.034598 0.081139 0.032754 -0.024707 -0.064267 0.075928 0.096264 -0.091169 0.003238 0.087930 10.288318 11.145686 -4.243770 1.450460 13.295600 -0.543738 6.423669 -0.000006 165 O 12.169894 4.408413 8.052794 -0.718668 40.059598 0.62131620E+03 0.15501070E+05 9.323320 7.704302 0.293507 2.096498 0.998666 30.196351 81.114346 0.685286 0.358249 -1.138495 0.041396 0.090429 0.039752 0.107104 0.042087 -0.026471 -0.023814 0.029420 0.159198 -0.071269 -0.003839 0.075107 11.277525 7.597186 1.529635 1.486563 16.658746 5.106284 9.576644 -0.000010 166 O 18.298987 12.490911 15.637399 -0.656326 34.055194 0.50103276E+03 0.11839808E+05 8.275838 6.841345 0.465925 2.169536 0.998257 28.794320 75.159293 0.739911 0.350306 -1.145445 -0.090477 0.042972 -0.038290 0.107232 0.013476 -0.021540 0.026251 -0.138492 0.128266 -0.096177 0.024355 0.071821 9.735054 8.673005 1.574268 2.175199 7.228515 3.859776 13.303640 -0.000012 167 O 19.552472 11.688498 14.048547 -0.661232 38.466084 0.58872154E+03 0.14473042E+05 9.047226 7.505834 0.474761 2.174388 0.997818 29.101099 77.279013 0.694284 0.358855 -1.139452 -0.051035 0.014818 -0.086485 0.101508 -0.011809 -0.059008 -0.034225 -0.009134 -0.163778 -0.096441 0.039667 0.056775 10.343701 15.832776 -0.206576 -0.060576 7.185732 1.849072 8.012596 -0.000009 168 O 9.119149 8.216659 7.829521 -0.621351 32.178936 0.49094346E+03 0.11532540E+05 7.982654 6.798196 0.438916 2.181570 0.998258 27.871088 72.328204 0.738628 0.353010 -1.144237 0.041391 -0.055178 0.049568 0.084940 0.063786 -0.027387 0.010193 0.040233 0.085950 -0.086470 0.024930 0.061540 9.091415 12.872717 -0.123421 3.196859 7.527436 0.547554 6.874092 -0.000010 169 O 9.725325 10.128772 8.708450 -0.763516 51.336504 0.82519631E+03 0.22123568E+05 11.069164 8.993596 -0.031213 1.968955 0.998118 32.228318 90.039916 0.621538 0.367571 -1.130068 0.046323 -0.107677 0.007150 0.117437 0.018652 -0.100927 -0.027583 -0.017893 0.098738 -0.101331 -0.016316 0.117647 13.465228 13.463578 -5.800232 0.377472 19.179807 -0.758510 7.752299 -0.000006 170 O 13.972588 9.009245 11.253574 -0.199096 27.195914 0.30608308E+03 0.63842698E+04 7.275694 5.345841 0.445185 2.263858 0.999524 22.423931 54.701340 0.838707 0.350126 -1.147441 -0.126184 0.125940 -0.064335 0.189532 0.050118 0.042157 0.099382 -0.208222 -0.184097 -0.116012 -0.075168 0.191179 9.292277 7.886682 4.136904 3.604299 12.382620 4.838737 7.607528 -0.000008 171 O 15.567437 7.621310 1.252590 -0.632610 36.942380 0.57580814E+03 0.14111866E+05 8.891080 7.501785 0.120464 2.073961 0.997121 28.663733 76.611046 0.681894 0.366507 -1.130682 0.018220 -0.070403 0.035991 0.081141 0.007065 -0.051093 0.069769 -0.042756 -0.022101 -0.091167 0.003247 0.087920 10.288411 7.721068 1.801978 -0.613777 10.198329 -4.723629 12.945834 -0.000007 172 O 13.580975 6.720697 1.666512 -0.718662 40.059527 0.62131472E+03 0.15501026E+05 9.323318 7.704298 0.293561 2.096517 0.998667 30.196283 81.114183 0.685285 0.358250 -1.138494 0.077661 0.006758 0.073446 0.107104 -0.023823 -0.020020 0.064445 0.004861 -0.053527 -0.071259 -0.003838 0.075097 11.277530 13.654793 -1.209471 5.978991 7.248593 -1.950543 12.929205 -0.000010 173 O 25.037746 7.742584 6.969052 -0.656327 34.055416 0.50103641E+03 0.11839919E+05 8.275881 6.841376 0.465869 2.169517 0.998256 28.794393 75.159621 0.739908 0.350307 -1.145444 -0.061619 -0.070101 0.052798 0.107232 -0.070122 0.029045 0.007080 0.061095 0.095275 -0.096174 0.024350 0.071824 9.735112 15.764839 -1.070673 1.526198 7.911554 0.133766 5.528942 -0.000012 174 O 24.041904 9.660321 6.704243 -0.661224 38.465738 0.58871496E+03 0.14472839E+05 9.047175 7.505794 0.474745 2.174387 0.997818 29.100939 77.278476 0.694285 0.358855 -1.139452 -0.092243 -0.010129 0.041143 0.101510 0.001233 0.001679 0.007285 -0.149065 0.131233 -0.096434 0.039667 0.056767 10.343638 10.343451 2.687015 1.023987 14.520076 -0.723137 6.167386 -0.000009 175 O 13.063414 3.558527 5.353305 -0.621348 32.179025 0.49094470E+03 0.11532578E+05 7.982678 6.798211 0.439018 2.181604 0.998259 27.871080 72.328250 0.738625 0.353011 -1.144236 0.045390 0.023269 -0.067918 0.084938 -0.012752 0.022105 0.066357 0.003497 -0.102968 -0.086459 0.024933 0.061526 9.091450 10.859198 4.028119 0.055566 9.277226 -1.284133 7.137926 -0.000011 176 O 14.615434 3.445197 6.894256 -0.763517 51.336396 0.82519324E+03 0.22123458E+05 11.069135 8.993567 -0.031178 1.968966 0.998118 32.228291 90.039693 0.621540 0.367570 -1.130069 -0.002852 0.053496 -0.104506 0.117437 -0.068042 -0.007983 0.059464 -0.123808 0.038538 -0.101320 -0.016318 0.117638 13.465204 8.285708 1.192968 -0.082468 13.598604 -6.278835 18.511301 -0.000006 177 O 18.390288 6.284496 5.034389 -0.199096 27.196105 0.30608527E+03 0.63843290E+04 7.275740 5.345868 0.445198 2.263863 0.999524 22.423957 54.701521 0.838703 0.350127 -1.147439 -0.076787 -0.102447 0.139746 0.189528 -0.004047 0.138717 -0.032348 0.143258 0.169482 -0.116020 -0.075159 0.191179 9.292346 14.142726 1.516437 6.003211 4.696130 0.074233 9.038182 -0.000008 178 O 25.698189 9.770768 9.067629 -0.632616 36.942331 0.57580730E+03 0.14111835E+05 8.891054 7.501763 0.120478 2.073964 0.997121 28.663774 76.611036 0.681897 0.366506 -1.130683 -0.019115 -0.010682 0.078129 0.081140 -0.049384 0.068859 -0.009744 -0.042959 -0.058795 -0.091157 0.003241 0.087917 10.288381 9.407316 -0.881928 -3.240959 8.182084 3.796955 13.275744 -0.000007 179 O 26.504139 11.589793 10.052545 -0.718662 40.059189 0.62130827E+03 0.15500818E+05 9.323241 7.704237 0.293479 2.096490 0.998666 30.196230 81.113784 0.685291 0.358248 -1.138497 -0.099360 -0.036393 0.016567 0.107104 -0.020146 0.045113 -0.041471 -0.036207 -0.102613 -0.071259 -0.003839 0.075098 11.277434 16.018600 4.090232 -4.275199 8.849078 -1.204618 8.964625 -0.000010 180 O 16.516860 3.831042 10.741621 -0.656333 34.055835 0.50104382E+03 0.11840141E+05 8.275957 6.841434 0.465912 2.169530 0.998257 28.794517 75.160149 0.739904 0.350308 -1.145443 0.002963 0.067698 0.083106 0.107230 -0.002230 -0.050105 -0.059391 0.017122 -0.128949 -0.096181 0.024350 0.071831 9.735209 8.805351 4.676157 0.045362 12.801577 -1.702130 7.598700 -0.000012 181 O 16.660109 4.876407 8.837354 -0.661226 38.466090 0.58872137E+03 0.14473041E+05 9.047240 7.505843 0.474766 2.174392 0.997818 29.101044 77.278949 0.694282 0.358856 -1.139451 0.010060 0.098471 0.022494 0.101508 -0.057785 0.007867 -0.003303 0.088242 0.142380 -0.096435 0.039668 0.056767 10.343720 8.812871 2.596906 2.709334 8.086413 1.120239 14.131877 -0.000009 182 O 24.503888 13.194857 14.209755 -0.621347 32.178738 0.49093949E+03 0.11532422E+05 7.982621 6.798167 0.438992 2.181596 0.998259 27.871000 72.327883 0.738629 0.353010 -1.144237 0.030264 -0.066475 -0.043359 0.084940 0.013561 0.051984 -0.047992 0.022380 -0.086741 -0.086465 0.024939 0.061525 9.091379 8.536691 2.502057 1.381910 8.906427 3.570824 9.831019 -0.000011 183 O 22.525572 12.463840 14.799687 -0.763515 51.336518 0.82519547E+03 0.22123539E+05 11.069167 8.993590 -0.031213 1.968956 0.998118 32.228306 90.039863 0.621538 0.367570 -1.130068 0.074750 -0.035055 -0.083517 0.117437 -0.065838 0.025541 -0.082870 0.023761 0.047856 -0.101328 -0.016314 0.117642 13.465255 13.288817 -2.265383 -5.266388 9.294092 3.996978 17.812854 -0.000006 184 O 21.587227 8.703588 11.520929 -0.199098 27.196378 0.30608801E+03 0.63844035E+04 7.275803 5.345903 0.445268 2.263886 0.999524 22.424004 54.701792 0.838697 0.350128 -1.147438 -0.054625 0.114217 0.141040 0.189530 0.085014 -0.086065 -0.009050 0.199136 -0.195980 -0.116019 -0.075166 0.191185 9.292439 14.805225 5.837329 -1.295734 7.994700 0.170318 5.077392 -0.000007 185 O 22.096191 17.559840 6.441822 -0.632610 36.942108 0.57580384E+03 0.14111728E+05 8.891019 7.501744 0.120480 2.073965 0.997121 28.663674 76.610689 0.681898 0.366506 -1.130683 0.054372 -0.049298 -0.034598 0.081139 0.032754 -0.024707 -0.064267 0.075927 0.096264 -0.091168 0.003238 0.087930 10.288322 11.145690 -4.243773 1.450460 13.295606 -0.543739 6.423670 -0.000007 186 O 23.802896 17.591764 7.861190 -0.718668 40.059588 0.62131597E+03 0.15501063E+05 9.323318 7.704300 0.293509 2.096499 0.998666 30.196345 81.114325 0.685286 0.358249 -1.138495 -0.041396 -0.090429 -0.039752 0.107104 0.042087 -0.026472 -0.023814 0.029420 0.159197 -0.071269 -0.003839 0.075107 11.277524 7.597185 1.529635 1.486562 16.658745 5.106284 9.576643 -0.000009 187 O 17.673803 9.509266 0.276585 -0.656326 34.055273 0.50103407E+03 0.11839848E+05 8.275855 6.841358 0.465926 2.169537 0.998257 28.794325 75.159355 0.739909 0.350307 -1.145444 0.090477 -0.042972 0.038290 0.107232 0.013476 -0.021541 0.026251 -0.138493 0.128267 -0.096177 0.024356 0.071821 9.735077 8.673028 1.574275 2.175209 7.228531 3.859787 13.303672 -0.000013 188 O 16.420318 10.311679 1.865437 -0.661232 38.466110 0.58872201E+03 0.14473056E+05 9.047231 7.505838 0.474760 2.174388 0.997818 29.101103 77.279038 0.694283 0.358855 -1.139452 0.051035 -0.014818 0.086485 0.101508 -0.011809 -0.059008 -0.034225 -0.009133 -0.163778 -0.096441 0.039666 0.056775 10.343708 15.832786 -0.206576 -0.060575 7.185737 1.849074 8.012601 -0.000009 189 O 26.853641 13.783518 8.084463 -0.621351 32.178994 0.49094450E+03 0.11532571E+05 7.982665 6.798204 0.438914 2.181569 0.998258 27.871105 72.328278 0.738627 0.353010 -1.144237 -0.041391 0.055178 -0.049568 0.084940 0.063786 -0.027387 0.010193 0.040233 0.085950 -0.086470 0.024930 0.061540 9.091429 12.872741 -0.123423 3.196865 7.527446 0.547553 6.874101 -0.000011 190 O 26.247465 11.871405 7.205534 -0.763516 51.336499 0.82519622E+03 0.22123565E+05 11.069164 8.993596 -0.031213 1.968955 0.998118 32.228316 90.039910 0.621538 0.367571 -1.130068 -0.046323 0.107677 -0.007150 0.117437 0.018652 -0.100927 -0.027583 -0.017893 0.098738 -0.101331 -0.016316 0.117647 13.465227 13.463577 -5.800230 0.377472 19.179806 -0.758510 7.752299 -0.000006 191 O 22.000202 12.990932 4.660410 -0.199095 27.195864 0.30608247E+03 0.63842535E+04 7.275683 5.345834 0.445187 2.263859 0.999524 22.423918 54.701280 0.838708 0.350125 -1.147441 0.126184 -0.125939 0.064334 0.189531 0.050118 0.042157 0.099381 -0.208223 -0.184097 -0.116012 -0.075167 0.191179 9.292262 7.886672 4.136898 3.604294 12.382599 4.838728 7.607517 -0.000009 192 O 20.405353 14.378867 14.661394 -0.632610 36.942316 0.57580700E+03 0.14111830E+05 8.891066 7.501775 0.120466 2.073962 0.997121 28.663721 76.610976 0.681895 0.366507 -1.130682 -0.018221 0.070403 -0.035991 0.081141 0.007065 -0.051093 0.069769 -0.042756 -0.022101 -0.091167 0.003247 0.087920 10.288392 7.721058 1.801976 -0.613778 10.198312 -4.723616 12.945806 -0.000007 193 O 22.391815 15.279480 14.247472 -0.718662 40.059556 0.62131529E+03 0.15501045E+05 9.323322 7.704302 0.293560 2.096516 0.998667 30.196295 81.114228 0.685285 0.358250 -1.138494 -0.077661 -0.006758 -0.073446 0.107104 -0.023823 -0.020020 0.064444 0.004860 -0.053527 -0.071259 -0.003838 0.075098 11.277537 13.654799 -1.209473 5.978995 7.248598 -1.950546 12.929213 -0.000010 194 O 10.935044 14.257593 8.944932 -0.656327 34.055512 0.50103804E+03 0.11839968E+05 8.275901 6.841391 0.465866 2.169516 0.998256 28.794412 75.159726 0.739907 0.350307 -1.145444 0.061618 0.070101 -0.052797 0.107231 -0.070122 0.029044 0.007079 0.061096 0.095274 -0.096173 0.024349 0.071824 9.735137 15.764886 -1.070672 1.526203 7.911573 0.133767 5.528954 -0.000013 195 O 11.930886 12.339856 9.209741 -0.661224 38.465768 0.58871547E+03 0.14472855E+05 9.047181 7.505798 0.474744 2.174386 0.997818 29.100945 77.278508 0.694285 0.358856 -1.139452 0.092243 0.010129 -0.041143 0.101510 0.001233 0.001679 0.007285 -0.149065 0.131234 -0.096434 0.039667 0.056767 10.343645 10.343458 2.687018 1.023988 14.520088 -0.723138 6.167389 -0.000008 196 O 22.909376 18.441650 10.560679 -0.621348 32.178980 0.49094386E+03 0.11532553E+05 7.982670 6.798205 0.439021 2.181606 0.998259 27.871062 72.328180 0.738626 0.353011 -1.144236 -0.045390 -0.023269 0.067918 0.084938 -0.012753 0.022105 0.066357 0.003498 -0.102968 -0.086459 0.024933 0.061525 9.091440 10.859188 4.028113 0.055568 9.277214 -1.284130 7.137918 -0.000011 197 O 21.357356 18.554980 9.019728 -0.763517 51.336426 0.82519386E+03 0.22123479E+05 11.069140 8.993571 -0.031179 1.968966 0.998118 32.228300 90.039736 0.621540 0.367570 -1.130069 0.002852 -0.053496 0.104506 0.117437 -0.068042 -0.007983 0.059464 -0.123808 0.038538 -0.101319 -0.016318 0.117638 13.465210 8.285712 1.192971 -0.082469 13.598611 -6.278838 18.511308 -0.000006 198 O 17.582502 15.715681 10.879595 -0.199096 27.196093 0.30608515E+03 0.63843260E+04 7.275738 5.345867 0.445199 2.263863 0.999524 22.423954 54.701509 0.838703 0.350127 -1.147439 0.076787 0.102447 -0.139746 0.189528 -0.004047 0.138717 -0.032348 0.143258 0.169482 -0.116020 -0.075159 0.191180 9.292342 14.142720 1.516436 6.003207 4.696129 0.074232 9.038176 -0.000008 ****************************************************** Auxiliary information for the entire system The total spin magnetic moment of the unit cell is -0.000333 The total net atomic charge of the unit cell is -0.000005 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= 712550 The rms potential error without charges in kcal/mol is= 4.93014 The rms potential error with partial charges in kcal/mol is= 1.51152 The RRMSE value at monopole order= 0.30659 The rms potential error with partial charges and cloud penetration in kcal/mol is= 1.50687 The RRMSE value at monopole order with cloud penetration is= 0.30564 The rms potential error with partial charges and atomic dipoles in kcal/mol is= 0.50290 The RRMSE value at dipole order= 0.10200 The rms potential error with partial charges, atomic dipoles and cloud penetration in kcal/mol is= 0.49120 The RRMSE value at dipole order with cloud penetration= 0.09963 ****************************************************** 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.