208 jmolscript: load "" {1 1 1} spacegroup "x,y,z" unitcell [{ 16.266300 0.000000 0.000000 }, { 8.133154 14.401857 0.000000 }, { 8.133154 -0.000004 14.401857 }] Sm 14.836823 12.651741 6.760520 2.012212 Sm 13.516973 7.527274 1.641812 2.000722 Sm 6.703670 8.951042 0.440409 2.012200 Sm 21.650125 14.075509 5.559117 2.000729 Sm 18.903396 7.641336 5.450815 2.012202 Sm 17.583549 12.760045 0.326346 2.000727 Sm 10.770247 13.961448 1.750114 2.012208 Sm 9.450399 8.842738 6.874582 2.000720 Sm 17.695785 1.750112 7.641337 2.012212 Sm 19.015635 6.874579 12.760045 2.000722 Sm 25.828938 5.450811 13.961448 2.012201 Sm 10.882483 0.326344 8.842740 2.000729 Sm 13.629212 6.760517 8.951042 2.012202 Sm 14.949059 1.641808 14.075511 2.000727 Sm 21.762361 0.440405 12.651743 2.012209 Sm 23.082209 5.559115 7.527275 2.000719 H 13.154561 10.822995 3.636469 0.077760 H 15.026812 12.950149 3.133844 0.080949 H 21.287711 10.779789 3.564460 0.077756 H 23.159961 8.652635 4.067084 0.080949 H 17.221136 10.765387 3.622067 0.077756 H 19.093388 11.268011 5.749221 0.080947 H 9.087986 10.837396 3.578861 0.077755 H 10.960236 10.334772 1.451707 0.080948 H 19.378047 3.578858 10.765388 0.077760 H 17.505796 1.451704 11.268013 0.080949 H 11.244897 3.622064 10.837397 0.077756 H 9.372647 5.749218 10.334773 0.080949 H 15.311472 3.636466 10.779790 0.077756 H 13.439220 3.133842 8.652636 0.080947 H 23.444622 3.564457 10.822996 0.077755 H 21.572372 4.067081 12.950150 0.080948 C 13.832865 10.307408 4.010917 0.200817 C 15.392804 9.634841 5.314285 -0.035699 C 15.248033 8.701601 4.297514 0.000178 C 15.841753 7.398233 3.967712 0.665609 C 16.300464 9.760137 6.456352 0.637618 C 15.874287 13.151775 3.459326 0.222666 C 17.504171 13.552146 4.853426 -0.004358 C 17.940107 13.690404 3.534216 0.013015 C 19.283703 13.943877 2.963902 0.640373 C 18.086505 13.730729 6.215841 0.634003 C 21.966016 11.295376 3.190011 0.200816 C 23.525954 11.967943 1.886643 -0.035705 C 23.381184 12.901183 2.903414 0.000179 C 23.974904 14.204551 3.233217 0.665609 C 8.167313 11.842647 0.744576 0.637616 C 7.741136 8.451009 3.741602 0.222668 C 9.371018 8.050637 2.347503 -0.004355 C 9.806955 7.912379 3.666713 0.013013 C 11.150552 7.658906 4.237026 0.640376 C 9.953351 7.872055 0.985087 0.634002 C 17.899440 10.390939 3.106481 0.200816 C 19.459378 9.087571 2.433914 -0.035701 C 19.314608 10.104342 1.500673 0.000168 C 19.908328 10.434145 0.197305 0.665634 C 20.367037 7.945504 2.559210 0.637617 C 19.940862 10.942529 5.950847 0.222670 C 21.570745 9.548429 6.351219 -0.004356 C 22.006682 10.867639 6.489477 0.013008 C 23.350279 11.437953 6.742949 0.640374 C 22.153078 8.186014 6.529802 0.634000 C 9.766291 11.211845 4.094448 0.200814 C 11.326229 12.515212 4.767015 -0.035701 C 11.181459 11.498441 5.700255 0.000177 C 11.775180 11.168638 7.003623 0.665601 C 12.233889 13.657280 4.641719 0.637618 C 11.807710 10.660254 1.250081 0.222668 C 13.437594 12.054354 0.849710 -0.004355 C 13.873530 10.735144 0.711452 0.013010 C 15.217127 10.164831 0.457979 0.640375 C 14.019928 13.416770 0.671127 0.634005 C 18.699743 4.094445 10.390940 0.200817 C 17.139804 4.767012 9.087572 -0.035699 C 17.284575 5.700252 10.104343 0.000178 C 16.690855 7.003620 10.434145 0.665609 C 16.232144 4.641716 7.945505 0.637618 C 16.658321 1.250078 10.942531 0.222666 C 15.028437 0.849707 9.548431 -0.004358 C 14.592501 0.711449 10.867641 0.013015 C 13.248905 0.457976 11.437955 0.640373 C 14.446103 0.671124 8.186016 0.634003 C 10.566592 3.106477 11.211846 0.200816 C 9.006654 2.433910 12.515214 -0.035705 C 9.151424 1.500670 11.498443 0.000179 C 8.557704 0.197302 11.168640 0.665609 C 24.365295 2.559206 13.657281 0.637616 C 24.791472 5.950844 10.660255 0.222668 C 23.161590 6.351216 12.054354 -0.004355 C 22.725653 6.489474 10.735144 0.013013 C 21.382056 6.742947 10.164831 0.640376 C 22.579257 6.529798 13.416770 0.634002 C 14.633168 4.010914 11.295376 0.200816 C 13.073230 5.314282 11.967943 -0.035701 C 13.218000 4.297511 12.901184 0.000168 C 12.624280 3.967708 14.204552 0.665634 C 12.165571 6.456349 11.842647 0.637617 C 12.591746 3.459324 8.451010 0.222670 C 10.961863 4.853424 8.050638 -0.004356 C 10.525926 3.534214 7.912380 0.013008 C 9.182329 2.963900 7.658908 0.640373 C 10.379530 6.215839 7.872055 0.634000 C 22.766317 3.190008 10.307409 0.200814 C 21.206379 1.886641 9.634842 -0.035701 C 21.351149 2.903412 8.701602 0.000177 C 20.757428 3.233215 7.398234 0.665601 C 20.298719 0.744573 9.760138 0.637618 C 20.724898 3.741599 13.151776 0.222668 C 19.095014 2.347499 13.552147 -0.004355 C 18.659078 3.666709 13.690405 0.013010 C 17.315481 4.237022 13.943878 0.640375 C 18.512680 0.985083 13.730730 0.634005 N 14.254162 9.129336 3.472288 -0.430402 N 14.490024 10.654492 5.135702 -0.450611 N 16.168707 13.197860 4.775656 -0.476879 N 16.916956 13.426851 2.668664 -0.447710 N 22.387313 12.473447 3.728641 -0.430403 N 22.623174 10.948291 2.065226 -0.450596 N 8.035555 8.404923 2.425273 -0.476881 N 8.783806 8.175933 4.532264 -0.447710 N 18.320737 10.929569 1.928409 -0.430411 N 18.556599 9.266154 3.453565 -0.450600 N 20.235282 9.626200 5.996933 -0.476874 N 20.983532 11.733191 6.225923 -0.447711 N 10.187588 10.673215 5.272520 -0.430402 N 10.423450 12.336630 3.747363 -0.450603 N 12.102131 11.976584 1.203995 -0.476879 N 12.850380 9.869592 0.975006 -0.447708 N 18.278446 5.272517 10.929569 -0.430402 N 18.042584 3.747361 9.266155 -0.450611 N 16.363901 1.203993 9.626201 -0.476879 N 15.615652 0.975002 11.733193 -0.447710 N 10.145295 1.928406 10.673216 -0.430403 N 9.909434 3.453562 12.336631 -0.450596 N 24.497053 5.996930 11.976584 -0.476881 N 23.748802 6.225920 9.869593 -0.447710 N 14.211871 3.472284 12.473448 -0.430411 N 13.976009 5.135699 10.948292 -0.450600 N 12.297326 4.775653 8.404924 -0.476874 N 11.549076 2.668662 8.175934 -0.447711 N 22.345020 3.728638 9.129337 -0.430402 N 22.109158 2.065223 10.654494 -0.450603 N 20.430477 2.425269 13.197862 -0.476879 N 19.682228 4.532261 13.426851 -0.447708 O 15.330990 6.751590 3.018629 -0.631354 O 16.842130 6.937373 4.621556 -0.703558 O 17.357773 9.029963 6.541323 -0.684786 O 16.019057 10.619927 7.321904 -0.625990 O 19.361781 13.786897 1.703740 -0.628862 O 20.251549 14.342808 3.676794 -0.667657 O 19.249545 14.172866 6.392984 -0.719372 O 17.336628 13.399486 7.186527 -0.678680 O 15.330989 0.449337 4.182299 -0.631360 O 16.842128 0.263553 2.579373 -0.703555 O 9.224622 12.572821 0.659605 -0.684788 O 16.019059 10.982852 14.280881 -0.625982 O 11.228631 7.815886 5.497189 -0.628864 O 12.118396 7.259975 3.524134 -0.667659 O 11.116392 7.429918 0.807944 -0.719372 O 9.203475 8.203298 0.014402 -0.678679 O 27.530720 11.383224 13.952519 -0.631361 O 29.041859 9.780297 14.138303 -0.703570 O 21.424346 7.860533 1.829036 -0.684788 O 20.085630 7.079952 3.419001 -0.625985 O 23.428357 12.698115 6.585969 -0.628868 O 24.318123 10.725061 7.141881 -0.667652 O 23.316119 8.008871 6.971939 -0.719370 O 21.403201 7.215329 6.198559 -0.678676 O 11.264418 10.219556 7.650266 -0.631350 O 12.775557 11.822482 7.464482 -0.703555 O 13.291199 13.742250 5.371893 -0.684795 O 3.819328 0.120975 3.781928 -0.625984 O 15.295205 8.904668 0.614959 -0.628865 O 16.184972 10.877723 0.059048 -0.667655 O 15.182968 13.593913 0.228990 -0.719373 O 5.136898 -0.014402 1.002369 -0.678681 O 17.201618 7.650263 11.383228 -0.631354 O 15.690478 7.464480 9.780301 -0.703558 O 15.174835 5.371890 7.860534 -0.684786 O 16.513551 3.781926 7.079953 -0.625990 O 13.170827 0.614956 12.698117 -0.628862 O 12.281059 0.059045 10.725063 -0.667657 O 13.283063 0.228987 8.008873 -0.719372 O 15.195980 1.002367 7.215330 -0.678680 O 17.201619 13.952516 10.219558 -0.631360 O 15.690480 14.138300 11.822484 -0.703555 O 23.307986 1.829032 13.742252 -0.684788 O 16.513549 3.419001 0.120976 -0.625982 O 21.303977 6.585967 8.904668 -0.628864 O 20.414212 7.141878 10.877723 -0.667659 O 21.416216 6.971935 13.593913 -0.719372 O 15.195979 6.198559 -0.014402 -0.678679 O 5.001888 3.018629 0.449338 -0.631361 O 3.490749 4.621556 0.263554 -0.703570 O 11.108262 6.541320 12.572821 -0.684788 O 12.446978 7.321901 10.982856 -0.625985 O 9.104251 1.703738 7.815888 -0.628868 O 8.214485 3.676792 7.259976 -0.667652 O 9.216489 6.392982 7.429918 -0.719370 O 11.129407 7.186524 8.203298 -0.678676 O 21.268190 4.182297 6.751591 -0.631350 O 19.757051 2.579371 6.937375 -0.703555 O 19.241409 0.659603 9.029964 -0.684795 O 28.713280 14.280878 10.619929 -0.625984 O 17.237403 5.497185 13.786898 -0.628865 O 16.347636 3.524130 14.342809 -0.667655 O 17.349640 0.807940 14.172867 -0.719373 O 19.262556 0.014398 13.399488 -0.678681 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 Sm 14.836823 12.651741 6.760520 2.012212 128.550594 0.30993704E+04 0.10624859E+06 16.604287 14.907736 2.535557 2.471839 0.999674 81.996543 196.221750 0.664470 0.268894 -1.330368 -0.027408 0.051158 0.103894 0.119005 -0.059913 0.038776 0.044839 -0.180296 0.252812 -0.160801 0.046284 0.114516 17.799572 23.328822 1.639636 -1.603017 16.248377 1.794578 13.821517 0.000001 2 Sm 13.516973 7.527274 1.641812 2.000722 146.340870 0.35236797E+04 0.12451605E+06 18.174425 15.904856 2.649324 2.495646 0.999419 82.938857 200.375387 0.643847 0.269212 -1.332278 -0.004860 -0.089586 0.005297 0.089874 0.025106 -0.048428 -0.039549 -0.037062 -0.201900 -0.094451 0.007359 0.087092 20.413807 19.086532 2.126538 0.120891 16.945301 5.433769 25.209589 -0.000002 3 Sm 6.703670 8.951042 0.440409 2.012200 128.559798 0.30996489E+04 0.10626069E+06 16.605257 14.908571 2.535529 2.471826 0.999674 81.997648 196.227788 0.664439 0.268900 -1.330358 -0.027417 -0.051161 -0.103901 0.119015 0.059878 -0.038804 0.044841 -0.180271 0.252808 -0.160781 0.046268 0.114513 17.800638 23.330323 -1.639800 1.603146 16.249315 1.794737 13.822277 0.000001 4 Sm 21.650125 14.075509 5.559117 2.000729 146.334530 0.35234921E+04 0.12450761E+06 18.173781 15.904323 2.649353 2.495657 0.999419 82.938101 200.371323 0.643866 0.269208 -1.332284 -0.004860 0.089585 -0.005299 0.089873 -0.025155 0.048372 -0.039549 -0.037061 -0.201911 -0.094410 0.007298 0.087112 20.413055 19.085879 -2.126489 -0.120982 16.944718 5.433457 25.208569 -0.000002 5 Sm 18.903396 7.641336 5.450815 2.012202 128.559280 0.30996314E+04 0.10625989E+06 16.605191 14.908507 2.535542 2.471830 0.999674 81.997441 196.226781 0.664442 0.268899 -1.330360 -0.027417 -0.103902 0.051165 0.119018 -0.038805 -0.059914 -0.044824 -0.216548 0.144011 -0.160804 0.046304 0.114500 17.800579 23.330315 1.603080 1.639871 13.822165 -1.794746 16.249257 0.000001 6 Sm 17.583549 12.760045 0.326346 2.000727 146.339287 0.35236336E+04 0.12451390E+06 18.174227 15.904699 2.649348 2.495655 0.999419 82.938490 200.373535 0.643854 0.269210 -1.332282 -0.004859 -0.005300 -0.089587 0.089875 0.048372 0.025108 0.039574 0.082421 0.156557 -0.094424 0.007336 0.087089 20.413564 19.086379 -0.121044 2.126582 25.209182 -5.433629 16.945132 -0.000002 7 Sm 10.770247 13.961448 1.750114 2.012208 128.554466 0.30994874E+04 0.10625366E+06 16.604691 14.908084 2.535548 2.471834 0.999674 81.996976 196.224143 0.664457 0.268896 -1.330364 -0.027409 0.103896 -0.051162 0.119010 0.038773 0.059875 -0.044822 -0.216546 0.144017 -0.160769 0.046271 0.114498 17.800014 23.329409 -1.603056 -1.639695 13.821837 -1.794673 16.248795 0.000001 8 Sm 9.450399 8.842738 6.874582 2.000720 146.344309 0.35237726E+04 0.12452010E+06 18.174718 15.905068 2.649350 2.495653 0.999419 82.938926 200.375917 0.643843 0.269212 -1.332279 -0.004862 0.005298 0.089588 0.089876 -0.048416 -0.025151 0.039576 0.082417 0.156572 -0.094450 0.007307 0.087143 20.414191 19.086983 0.120985 -2.126570 25.210052 -5.433886 16.945538 -0.000002 9 Sm 17.695785 1.750112 7.641337 2.012212 128.550581 0.30993701E+04 0.10624857E+06 16.604286 14.907735 2.535557 2.471839 0.999674 81.996539 196.221737 0.664470 0.268894 -1.330368 0.027408 -0.051158 -0.103894 0.119005 -0.059912 0.038776 0.044839 -0.180297 0.252812 -0.160801 0.046284 0.114516 17.799570 23.328820 1.639635 -1.603017 16.248376 1.794578 13.821516 0.000001 10 Sm 19.015635 6.874579 12.760045 2.000722 146.340897 0.35236806E+04 0.12451608E+06 18.174427 15.904859 2.649324 2.495646 0.999419 82.938862 200.375408 0.643847 0.269212 -1.332278 0.004860 0.089586 -0.005297 0.089874 0.025106 -0.048428 -0.039549 -0.037062 -0.201900 -0.094451 0.007359 0.087092 20.413810 19.086534 2.126538 0.120892 16.945304 5.433770 25.209592 -0.000002 11 Sm 25.828938 5.450811 13.961448 2.012201 128.559712 0.30996462E+04 0.10626058E+06 16.605248 14.908563 2.535529 2.471826 0.999674 81.997639 196.227739 0.664439 0.268900 -1.330358 0.027417 0.051161 0.103901 0.119015 0.059878 -0.038804 0.044841 -0.180271 0.252808 -0.160781 0.046268 0.114513 17.800629 23.330309 -1.639799 1.603145 16.249306 1.794736 13.822270 0.000001 12 Sm 10.882483 0.326344 8.842740 2.000729 146.334540 0.35234925E+04 0.12450763E+06 18.173782 15.904324 2.649353 2.495657 0.999419 82.938105 200.371336 0.643865 0.269208 -1.332284 0.004860 -0.089585 0.005299 0.089873 -0.025155 0.048372 -0.039550 -0.037062 -0.201911 -0.094410 0.007298 0.087112 20.413056 19.085879 -2.126489 -0.120982 16.944719 5.433457 25.208570 -0.000002 13 Sm 13.629212 6.760517 8.951042 2.012202 128.559267 0.30996310E+04 0.10625987E+06 16.605189 14.908505 2.535542 2.471830 0.999674 81.997442 196.226778 0.664442 0.268899 -1.330360 0.027417 0.103902 -0.051165 0.119018 -0.038805 -0.059914 -0.044824 -0.216547 0.144011 -0.160804 0.046304 0.114500 17.800577 23.330312 1.603080 1.639871 13.822164 -1.794746 16.249255 0.000001 14 Sm 14.949059 1.641808 14.075511 2.000727 146.339293 0.35236338E+04 0.12451391E+06 18.174227 15.904699 2.649348 2.495655 0.999419 82.938492 200.373543 0.643854 0.269210 -1.332282 0.004859 0.005300 0.089587 0.089875 0.048372 0.025108 0.039574 0.082421 0.156557 -0.094425 0.007336 0.087089 20.413565 19.086379 -0.121044 2.126582 25.209182 -5.433629 16.945133 -0.000002 15 Sm 21.762361 0.440405 12.651743 2.012209 128.554346 0.30994838E+04 0.10625351E+06 16.604679 14.908074 2.535548 2.471834 0.999674 81.996963 196.224072 0.664458 0.268896 -1.330364 0.027409 -0.103896 0.051162 0.119010 0.038773 0.059875 -0.044822 -0.216546 0.144017 -0.160769 0.046271 0.114498 17.800000 23.329390 -1.603055 -1.639693 13.821827 -1.794671 16.248783 0.000001 16 Sm 23.082209 5.559115 7.527275 2.000719 146.344326 0.35237732E+04 0.12452012E+06 18.174720 15.905069 2.649350 2.495653 0.999419 82.938928 200.375930 0.643843 0.269212 -1.332279 0.004862 -0.005298 -0.089588 0.089876 -0.048416 -0.025151 0.039576 0.082417 0.156572 -0.094450 0.007307 0.087143 20.414193 19.086984 0.120985 -2.126571 25.210055 -5.433888 16.945541 -0.000002 17 H 13.154561 10.822995 3.636469 0.077760 0.999535 0.70945506E+01 0.68827768E+02 1.750311 1.631235 -1.257905 2.266213 0.993507 3.981841 11.759003 0.448877 1.406499 -0.679917 -0.038942 0.026024 -0.020749 0.051227 -0.007247 0.012397 0.000405 -0.003878 -0.010279 -0.015735 0.002104 0.013632 1.804982 2.118951 -0.474853 0.318983 1.683228 -0.224469 1.612766 0.000001 18 H 15.026812 12.950149 3.133844 0.080949 1.047971 0.71942031E+01 0.69760081E+02 1.785365 1.626927 -1.192699 2.303822 0.994315 3.843154 11.200038 0.457823 1.379699 -0.685920 -0.049310 -0.004507 -0.015942 0.052018 0.002550 0.000700 -0.001993 0.029597 0.001296 -0.015495 0.000675 0.014820 1.875776 2.552120 0.261479 0.433769 1.454864 0.065264 1.620343 0.000001 19 H 21.287711 10.779789 3.564460 0.077756 0.999535 0.70945230E+01 0.68827081E+02 1.750275 1.631204 -1.257806 2.266256 0.993508 3.981761 11.758534 0.448895 1.406452 -0.679926 -0.038944 -0.026027 0.020750 0.051231 0.007237 -0.012404 0.000406 -0.003877 -0.010278 -0.015739 0.002109 0.013630 1.804943 2.118902 0.474837 -0.318973 1.683193 -0.224462 1.612735 0.000001 20 H 23.159961 8.652635 4.067084 0.080949 1.047975 0.71942274E+01 0.69760356E+02 1.785368 1.626927 -1.192694 2.303824 0.994315 3.843159 11.200046 0.457824 1.379696 -0.685921 -0.049309 0.004507 0.015942 0.052018 -0.002559 -0.000709 -0.001993 0.029596 0.001296 -0.015497 0.000675 0.014822 1.875779 2.552127 -0.261480 -0.433774 1.454864 0.065265 1.620345 0.000001 21 H 17.221136 10.765387 3.622067 0.077756 0.999533 0.70944840E+01 0.68826477E+02 1.750258 1.631189 -1.257791 2.266264 0.993509 3.981730 11.758350 0.448903 1.406433 -0.679930 -0.038944 0.020750 0.026026 0.051231 -0.012405 -0.007247 -0.000401 0.003201 0.010955 -0.015741 0.002101 0.013640 1.804925 2.118880 -0.318968 -0.474830 1.612719 0.224459 1.683177 0.000001 22 H 19.093388 11.268011 5.749221 0.080947 1.047991 0.71943649E+01 0.69762121E+02 1.785395 1.626950 -1.192722 2.303809 0.994314 3.843210 11.200281 0.457817 1.379708 -0.685918 -0.049310 0.015942 -0.004507 0.052019 -0.000708 0.002550 0.001998 0.014150 -0.045042 -0.015496 0.000676 0.014820 1.875810 2.552174 -0.433785 0.261487 1.620370 -0.065267 1.454885 0.000001 23 H 9.087986 10.837396 3.578861 0.077755 0.999524 0.70944286E+01 0.68825985E+02 1.750269 1.631199 -1.257827 2.266246 0.993508 3.981743 11.758493 0.448893 1.406461 -0.679924 -0.038945 -0.020750 -0.026026 0.051231 0.012395 0.007236 -0.000400 0.003201 0.010955 -0.015728 0.002103 0.013626 1.804937 2.118894 0.318971 0.474834 1.612729 0.224461 1.683187 0.000001 24 H 10.960236 10.334772 1.451707 0.080948 1.047979 0.71942664E+01 0.69760865E+02 1.785375 1.626934 -1.192704 2.303819 0.994315 3.843174 11.200119 0.457821 1.379701 -0.685920 -0.049309 -0.015942 0.004507 0.052018 0.000700 -0.002559 0.001998 0.014150 -0.045042 -0.015498 0.000677 0.014821 1.875787 2.552138 0.433774 -0.261481 1.620351 -0.065265 1.454871 0.000001 25 H 19.378047 3.578858 10.765388 0.077760 0.999535 0.70945506E+01 0.68827768E+02 1.750311 1.631235 -1.257905 2.266213 0.993507 3.981841 11.759003 0.448877 1.406499 -0.679917 0.038942 -0.026024 0.020749 0.051227 -0.007247 0.012397 0.000405 -0.003878 -0.010279 -0.015735 0.002104 0.013632 1.804982 2.118951 -0.474853 0.318983 1.683228 -0.224469 1.612766 0.000001 26 H 17.505796 1.451704 11.268013 0.080949 1.047971 0.71942031E+01 0.69760081E+02 1.785365 1.626927 -1.192699 2.303822 0.994315 3.843154 11.200038 0.457823 1.379699 -0.685920 0.049310 0.004507 0.015942 0.052018 0.002550 0.000700 -0.001993 0.029597 0.001296 -0.015495 0.000675 0.014820 1.875776 2.552120 0.261479 0.433769 1.454864 0.065264 1.620343 0.000001 27 H 11.244897 3.622064 10.837397 0.077756 0.999536 0.70945264E+01 0.68827121E+02 1.750276 1.631205 -1.257806 2.266256 0.993508 3.981762 11.758537 0.448895 1.406452 -0.679926 0.038944 0.026027 -0.020750 0.051231 0.007237 -0.012404 0.000406 -0.003877 -0.010278 -0.015739 0.002109 0.013630 1.804944 2.118902 0.474837 -0.318973 1.683193 -0.224463 1.612735 0.000001 28 H 9.372647 5.749218 10.334773 0.080949 1.047975 0.71942274E+01 0.69760356E+02 1.785368 1.626927 -1.192695 2.303824 0.994315 3.843159 11.200046 0.457824 1.379696 -0.685921 0.049309 -0.004507 -0.015942 0.052018 -0.002559 -0.000709 -0.001993 0.029596 0.001296 -0.015497 0.000675 0.014822 1.875779 2.552127 -0.261480 -0.433774 1.454864 0.065265 1.620345 0.000001 29 H 15.311472 3.636466 10.779790 0.077756 0.999533 0.70944895E+01 0.68826538E+02 1.750258 1.631189 -1.257791 2.266264 0.993509 3.981731 11.758351 0.448903 1.406432 -0.679930 0.038944 -0.020750 -0.026026 0.051231 -0.012405 -0.007247 -0.000401 0.003201 0.010955 -0.015741 0.002101 0.013640 1.804926 2.118880 -0.318968 -0.474830 1.612719 0.224459 1.683177 0.000001 30 H 13.439220 3.133842 8.652636 0.080947 1.047991 0.71943691E+01 0.69762170E+02 1.785396 1.626950 -1.192723 2.303809 0.994314 3.843211 11.200283 0.457817 1.379707 -0.685918 0.049310 -0.015942 0.004507 0.052019 -0.000708 0.002550 0.001998 0.014150 -0.045042 -0.015496 0.000676 0.014820 1.875810 2.552174 -0.433785 0.261487 1.620370 -0.065267 1.454885 0.000001 31 H 23.444622 3.564457 10.822996 0.077755 0.999524 0.70944276E+01 0.68825975E+02 1.750269 1.631199 -1.257827 2.266246 0.993508 3.981743 11.758494 0.448893 1.406462 -0.679924 0.038945 0.020750 0.026026 0.051231 0.012395 0.007236 -0.000400 0.003201 0.010955 -0.015728 0.002103 0.013626 1.804937 2.118894 0.318971 0.474834 1.612729 0.224461 1.683187 0.000001 32 H 21.572372 4.067081 12.950150 0.080948 1.047979 0.71942666E+01 0.69760870E+02 1.785376 1.626935 -1.192704 2.303819 0.994315 3.843174 11.200120 0.457821 1.379701 -0.685920 0.049309 0.015942 -0.004507 0.052018 0.000700 -0.002559 0.001998 0.014149 -0.045042 -0.015498 0.000677 0.014821 1.875787 2.552138 0.433775 -0.261481 1.620352 -0.065265 1.454871 0.000001 33 C 13.832865 10.307408 4.010917 0.200817 23.216749 0.32313558E+03 0.71708672E+04 7.472642 6.277644 -0.216854 1.955676 0.997382 26.466212 78.005429 0.603503 0.457341 -1.022581 0.032269 -0.043598 0.033601 0.063805 0.010020 -0.018054 -0.042393 0.036940 -0.053812 -0.056876 0.008951 0.047925 7.995603 9.095695 -2.659298 2.563505 7.693995 0.127333 7.197120 0.000001 34 C 15.392804 9.634841 5.314285 -0.035699 35.630140 0.45985241E+03 0.10985626E+05 9.464182 7.191939 -0.025078 1.975353 0.999540 29.034641 84.686947 0.607848 0.421798 -1.058694 -0.072018 0.036556 -0.046295 0.093092 -0.011142 -0.010784 -0.024302 0.063090 -0.030241 -0.046770 0.007208 0.039562 10.739786 11.280579 -0.709368 5.516533 8.240234 2.056609 12.698544 0.000001 35 C 15.248033 8.701601 4.297514 0.000178 33.659731 0.44594246E+03 0.10590377E+05 9.187081 7.156209 -0.140014 1.949828 0.999249 28.546092 83.492242 0.598901 0.430644 -1.051370 -0.060480 0.053225 -0.020982 0.083253 0.002186 -0.011139 -0.034927 0.041464 -0.045377 -0.049632 0.014687 0.034946 10.085095 8.993822 -3.070777 1.527322 12.746458 2.802136 8.515005 0.000002 36 C 15.841753 7.398233 3.967712 0.665609 22.454916 0.24786968E+03 0.51687349E+04 7.537816 5.760628 -0.359673 1.949895 0.998881 22.472476 65.062985 0.585056 0.502051 -0.994962 0.031859 -0.100052 -0.009938 0.105471 0.042087 -0.069843 -0.063414 -0.005296 0.059724 -0.069879 -0.050574 0.120454 8.336476 8.638917 -1.686087 2.729880 8.775840 1.282839 7.594673 0.000002 37 C 16.300464 9.760137 6.456352 0.637618 22.403685 0.25259925E+03 0.52898050E+04 7.498421 5.785868 -0.204971 1.993244 0.999348 22.811760 66.083683 0.588521 0.496977 -0.997963 0.064376 -0.003576 0.090889 0.111436 0.057888 -0.033037 -0.059994 -0.020850 0.010406 -0.065850 -0.037127 0.102977 8.290005 9.485273 -1.925689 2.238990 6.680146 1.259710 8.704596 0.000003 38 C 15.874287 13.151775 3.459326 0.222666 24.173749 0.30876145E+03 0.67669261E+04 7.656166 6.120162 -0.201406 1.963333 0.998496 25.945582 75.722595 0.614333 0.454919 -1.025067 0.045023 0.034236 0.024339 0.061575 -0.020490 0.022906 0.009321 -0.065937 -0.178407 -0.069521 0.000910 0.068611 8.499353 12.170635 1.867822 1.632777 4.744652 0.290279 8.582772 -0.000001 39 C 17.504171 13.552146 4.853426 -0.004358 38.210900 0.44635405E+03 0.10542404E+05 9.913788 7.067885 0.100796 2.029266 0.999586 27.990716 80.140232 0.617896 0.419692 -1.064205 -0.079015 0.003467 -0.024710 0.082861 0.008191 0.017861 -0.000867 0.004260 -0.142047 -0.051577 0.016973 0.034604 11.973582 11.069370 1.885021 3.588210 5.887934 2.436488 18.963442 -0.000001 40 C 17.940107 13.690404 3.534216 0.013015 34.195301 0.43565224E+03 0.10234043E+05 9.152559 6.971713 -0.057153 1.971912 0.999401 28.034794 80.219268 0.623201 0.418379 -1.064347 -0.093244 -0.000807 -0.026257 0.096874 -0.001406 0.017552 0.002681 -0.031090 -0.110997 -0.043730 0.009564 0.034166 10.365182 14.151178 2.081912 -2.277499 5.273137 -0.281122 11.671232 -0.000000 41 C 19.283703 13.943877 2.963902 0.640373 21.968967 0.24686372E+03 0.51135991E+04 7.268614 5.639158 -0.185953 2.003693 0.999125 22.198843 62.887616 0.612117 0.483062 -1.010282 0.089699 0.032981 -0.039049 0.103240 -0.047855 -0.001131 -0.029664 -0.145065 -0.175147 -0.070083 -0.050428 0.120510 8.002881 10.341567 1.458572 0.576292 4.434678 0.270931 9.232399 0.000001 42 C 18.086505 13.730729 6.215841 0.634003 22.889775 0.24947504E+03 0.52180689E+04 7.637755 5.738208 -0.348580 1.941230 0.998730 23.132431 67.389693 0.591652 0.494945 -0.997087 0.029992 0.020363 0.062189 0.071984 -0.054518 -0.017888 -0.020804 -0.121992 -0.239045 -0.092096 -0.030412 0.122508 8.848544 9.453999 1.754374 2.024070 5.544217 2.092163 11.547416 0.000001 43 C 21.966016 11.295376 3.190011 0.200816 23.216695 0.32313449E+03 0.71708314E+04 7.472618 6.277634 -0.216690 1.955729 0.997384 26.466092 78.004812 0.603504 0.457341 -1.022582 0.032259 0.043597 -0.033594 0.063796 -0.010072 0.018001 -0.042395 0.036938 -0.053812 -0.056866 0.008942 0.047924 7.995572 9.095643 2.659265 -2.563494 7.693957 0.127342 7.197115 0.000001 44 C 23.525954 11.967943 1.886643 -0.035705 35.630345 0.45985515E+03 0.10985711E+05 9.464231 7.191970 -0.025070 1.975355 0.999540 29.034730 84.687371 0.607845 0.421799 -1.058693 -0.072018 -0.036554 0.046296 0.093092 0.011083 0.010726 -0.024304 0.063091 -0.030238 -0.046743 0.007212 0.039531 10.739845 11.280630 0.709378 -5.516571 8.240277 2.056620 12.698627 0.000001 45 C 23.381184 12.901183 2.903414 0.000179 33.659660 0.44594145E+03 0.10590339E+05 9.187041 7.156182 -0.140010 1.949830 0.999248 28.546016 83.491749 0.598905 0.430642 -1.051373 -0.060478 -0.053226 0.020983 0.083252 -0.002240 0.011080 -0.034926 0.041459 -0.045375 -0.049617 0.014684 0.034933 10.085050 8.993750 3.070736 -1.527311 12.746407 2.802149 8.514993 0.000002 46 C 23.974904 14.204551 3.233217 0.665609 22.454436 0.24786353E+03 0.51685732E+04 7.537690 5.760541 -0.359747 1.949878 0.998881 22.472252 65.062062 0.585063 0.502048 -0.994963 0.031853 0.100048 0.009941 0.105466 -0.042129 0.069810 -0.063411 -0.005294 0.059720 -0.069832 -0.050617 0.120449 8.336332 8.638746 1.686039 -2.729816 8.775694 1.282828 7.594556 0.000003 47 C 8.167313 11.842647 0.744576 0.637616 22.403679 0.25259919E+03 0.52898105E+04 7.498455 5.785893 -0.204964 1.993245 0.999348 22.811832 66.084230 0.588515 0.496981 -0.997960 0.064377 0.003577 -0.090887 0.111435 -0.057929 0.032996 -0.059996 -0.020855 0.010412 -0.065902 -0.037080 0.102983 8.290043 9.485298 1.925696 -2.238998 6.680182 1.259721 8.704649 0.000003 48 C 7.741136 8.451009 3.741602 0.222668 24.173542 0.30875807E+03 0.67668121E+04 7.656014 6.120045 -0.201387 1.963340 0.998496 25.945381 75.720997 0.614353 0.454907 -1.025077 0.045023 -0.034239 -0.024340 0.061578 0.020439 -0.022956 0.009324 -0.065937 -0.178412 -0.069552 0.000967 0.068585 8.499177 12.170363 -1.867775 -1.632761 4.744559 0.290274 8.582610 -0.000001 49 C 9.371018 8.050637 2.347503 -0.004355 38.210534 0.44635030E+03 0.10542276E+05 9.913663 7.067814 0.100816 2.029273 0.999586 27.990555 80.139190 0.617905 0.419687 -1.064210 -0.079015 -0.003469 0.024710 0.082861 -0.008240 -0.017914 -0.000865 0.004260 -0.142054 -0.051603 0.016940 0.034663 11.973415 11.069203 -1.884983 -3.588121 5.887856 2.436430 18.963187 -0.000001 50 C 9.806955 7.912379 3.666713 0.013013 34.195264 0.43565203E+03 0.10234032E+05 9.152533 6.971701 -0.057147 1.971913 0.999401 28.034816 80.219178 0.623204 0.418378 -1.064349 -0.093244 0.000807 0.026255 0.096873 0.001364 -0.017596 0.002680 -0.031089 -0.110999 -0.043759 0.009595 0.034164 10.365145 14.151126 -2.081906 2.277455 5.273122 -0.281118 11.671187 -0.000001 51 C 11.150552 7.658906 4.237026 0.640376 21.968984 0.24686368E+03 0.51135953E+04 7.268605 5.639149 -0.185961 2.003691 0.999125 22.198821 62.887416 0.612119 0.483060 -1.010283 0.089699 -0.032980 0.039049 0.103240 0.047822 0.001096 -0.029665 -0.145061 -0.175153 -0.070043 -0.050453 0.120496 8.002871 10.341536 -1.458565 -0.576314 4.434668 0.270935 9.232409 0.000001 52 C 9.953351 7.872055 0.985087 0.634002 22.889744 0.24947486E+03 0.52180644E+04 7.637750 5.738209 -0.348579 1.941231 0.998730 23.132430 67.389700 0.591652 0.494945 -0.997087 0.029992 -0.020363 -0.062189 0.071983 0.054478 0.017847 -0.020803 -0.121992 -0.239038 -0.092059 -0.030424 0.122483 8.848533 9.453999 -1.754376 -2.024064 5.544206 2.092152 11.547394 0.000001 53 C 17.899440 10.390939 3.106481 0.200816 23.216995 0.32313935E+03 0.71709538E+04 7.472615 6.277631 -0.216862 1.955672 0.997382 26.466270 78.004982 0.603512 0.457333 -1.022587 0.032260 -0.033594 -0.043600 0.063799 0.018000 0.010014 0.042429 0.045379 -0.028501 -0.056907 0.009006 0.047901 7.995570 9.095647 -2.563494 -2.659262 7.197110 -0.127348 7.693952 0.000001 54 C 19.459378 9.087571 2.433914 -0.035701 35.630195 0.45985233E+03 0.10985635E+05 9.464235 7.191970 -0.025092 1.975350 0.999540 29.034666 84.687346 0.607842 0.421802 -1.058690 -0.072016 0.046294 0.036555 0.093090 0.010727 -0.011140 0.024336 0.046664 -0.079514 -0.046789 0.007247 0.039542 10.739853 11.280626 -5.516574 -0.709365 12.698639 -2.056639 8.240293 0.000001 55 C 19.314608 10.104342 1.500673 0.000168 33.660151 0.44594914E+03 0.10590583E+05 9.187174 7.156274 -0.140011 1.949826 0.999249 28.546349 83.493384 0.598896 0.430645 -1.051369 -0.060495 0.020985 0.053238 0.083272 0.011089 0.002205 0.034950 0.043398 -0.039508 -0.049642 0.014719 0.034923 10.085202 8.993884 -1.527344 -3.070786 8.515118 -2.802197 12.746603 0.000002 56 C 19.908328 10.434145 0.197305 0.665634 22.454288 0.24786128E+03 0.51685255E+04 7.537734 5.760569 -0.359681 1.949898 0.998880 22.472179 65.062304 0.585053 0.502057 -0.994957 0.031862 0.009931 -0.100043 0.105463 0.069796 0.042090 0.063422 -0.032522 -0.021901 -0.069839 -0.050588 0.120427 8.336384 8.638805 -2.729843 -1.686056 7.594603 -1.282830 8.775744 0.000003 57 C 20.367037 7.945504 2.559210 0.637617 22.403728 0.25259981E+03 0.52898209E+04 7.498432 5.785876 -0.204965 1.993246 0.999348 22.811808 66.083902 0.588521 0.496977 -0.997963 0.064376 -0.090888 -0.003576 0.111435 0.032993 0.057888 0.060019 -0.015629 0.026076 -0.065881 -0.037090 0.102971 8.290017 9.485256 -2.238994 -1.925679 8.704625 -1.259726 6.680169 0.000003 58 C 19.940862 10.942529 5.950847 0.222670 24.173682 0.30875949E+03 0.67668623E+04 7.656103 6.120099 -0.201411 1.963333 0.998496 25.945486 75.721823 0.614343 0.454913 -1.025072 0.045021 -0.024339 0.034237 0.061574 -0.022954 -0.020488 -0.009294 0.056233 0.188104 -0.069545 0.000938 0.068607 8.499293 12.170553 -1.632826 1.867819 8.582712 -0.290295 4.744615 -0.000001 59 C 21.570745 9.548429 6.351219 -0.004356 38.210921 0.44635286E+03 0.10542369E+05 9.913802 7.067875 0.100813 2.029272 0.999586 27.990651 80.140026 0.617896 0.419692 -1.064205 -0.079015 0.024708 0.003469 0.082861 -0.017911 0.008189 0.000890 0.073154 0.064642 -0.051602 0.016989 0.034613 11.973625 11.069354 -3.588233 1.885026 18.963585 -2.436515 5.887936 -0.000001 60 C 22.006682 10.867639 6.489477 0.013008 34.195939 0.43566153E+03 0.10234327E+05 9.152696 6.971805 -0.057202 1.971893 0.999401 28.035179 80.220911 0.623194 0.418382 -1.064345 -0.093244 0.026256 -0.000806 0.096874 -0.017596 -0.001408 -0.002656 0.039954 0.102129 -0.043757 0.009594 0.034163 10.365344 14.151394 2.277498 2.081950 11.671429 0.281113 5.273208 -0.000001 61 C 23.350279 11.437953 6.742949 0.640374 21.969337 0.24686831E+03 0.51137243E+04 7.268739 5.639244 -0.185972 2.003685 0.999125 22.199061 62.888675 0.612106 0.483067 -1.010278 0.089699 0.039049 0.032980 0.103240 0.001097 -0.047858 0.029686 0.015046 0.305167 -0.070065 -0.050455 0.120520 8.003023 10.341745 -0.576310 1.458600 9.232585 -0.270941 4.434741 0.000001 62 C 22.153078 8.186014 6.529802 0.634000 22.889544 0.24947203E+03 0.52180135E+04 7.637815 5.738243 -0.348566 1.941234 0.998730 23.132603 67.391234 0.591637 0.494957 -0.997077 0.029993 -0.062189 0.020362 0.071984 0.017850 -0.054516 0.020825 0.058523 0.302511 -0.092076 -0.030435 0.122511 8.848628 9.454081 -2.024114 1.754388 11.547539 -2.092199 5.544263 0.000001 63 C 9.766291 11.211845 4.094448 0.200814 23.216692 0.32313447E+03 0.71708345E+04 7.472643 6.277652 -0.216869 1.955668 0.997382 26.466091 78.004963 0.603500 0.457343 -1.022580 0.032258 0.033595 0.043598 0.063796 -0.018059 -0.010076 0.042430 0.045381 -0.028503 -0.056909 0.008921 0.047988 7.995603 9.095683 2.563503 2.659279 7.197133 -0.127350 7.693991 0.000001 64 C 11.326229 12.515212 4.767015 -0.035701 35.630391 0.45985506E+03 0.10985715E+05 9.464259 7.191979 -0.025118 1.975340 0.999540 29.034772 84.687683 0.607843 0.421801 -1.058691 -0.072017 -0.046295 -0.036555 0.093091 -0.010779 0.011086 0.024333 0.046663 -0.079525 -0.046784 0.007235 0.039549 10.739891 11.280679 5.516605 0.709370 12.698687 -2.056641 8.240307 0.000001 65 C 11.181459 11.498441 5.700255 0.000177 33.659964 0.44594572E+03 0.10590478E+05 9.187132 7.156241 -0.140038 1.949819 0.999248 28.546235 83.492857 0.598899 0.430645 -1.051370 -0.060478 -0.020983 -0.053226 0.083252 -0.011136 -0.002237 0.034958 0.043420 -0.039502 -0.049656 0.014674 0.034982 10.085158 8.993837 1.527340 3.070756 8.515093 -2.802199 12.746544 0.000002 66 C 11.775180 11.168638 7.003623 0.665601 22.454772 0.24786771E+03 0.51686920E+04 7.537816 5.760626 -0.359765 1.949867 0.998881 22.472539 65.063508 0.585052 0.502054 -0.994958 0.031859 -0.009941 0.100045 0.105465 -0.069841 -0.042127 0.063429 -0.032508 -0.021920 -0.069869 -0.050615 0.120484 8.336479 8.638898 2.729886 1.686064 7.594703 -1.282851 8.775837 0.000002 67 C 12.233889 13.657280 4.641719 0.637618 22.403692 0.25259941E+03 0.52898204E+04 7.498470 5.785902 -0.204986 1.993238 0.999348 22.811921 66.084687 0.588514 0.496982 -0.997959 0.064379 0.090887 0.003576 0.111436 -0.033033 -0.057929 0.060017 -0.015631 0.026074 -0.065899 -0.037120 0.103019 8.290064 9.485313 2.239012 1.925682 8.704688 -1.259731 6.680191 0.000003 68 C 11.807710 10.660254 1.250081 0.222668 24.173623 0.30875943E+03 0.67668626E+04 7.656097 6.120111 -0.201404 1.963335 0.998496 25.945465 75.721839 0.614341 0.454914 -1.025071 0.045023 0.024340 -0.034236 0.061576 0.022904 0.020440 -0.009294 0.056233 0.188107 -0.069508 0.000925 0.068583 8.499271 12.170513 1.632777 -1.867801 8.582687 -0.290280 4.744612 -0.000001 69 C 13.437594 12.054354 0.849710 -0.004355 38.210513 0.44635027E+03 0.10542274E+05 9.913654 7.067814 0.100803 2.029268 0.999586 27.990559 80.139170 0.617905 0.419687 -1.064210 -0.079016 -0.024708 -0.003469 0.082862 0.017860 -0.008241 0.000892 0.073156 0.064644 -0.051582 0.016939 0.034643 11.973396 11.069195 3.588124 -1.884985 18.963134 -2.436439 5.887860 -0.000001 70 C 13.873530 10.735144 0.711452 0.013010 34.195523 0.43565636E+03 0.10234163E+05 9.152586 6.971744 -0.057161 1.971907 0.999401 28.034957 80.219799 0.623200 0.418379 -1.064348 -0.093244 -0.026257 0.000807 0.096874 0.017550 0.001363 -0.002655 0.039952 0.102138 -0.043726 0.009563 0.034164 10.365201 14.151212 -2.277462 -2.081924 11.671235 0.281117 5.273157 -0.000001 71 C 15.217127 10.164831 0.457979 0.640375 21.969123 0.24686584E+03 0.51136452E+04 7.268609 5.639157 -0.185972 2.003686 0.999125 22.198838 62.887257 0.612122 0.483057 -1.010286 0.089699 -0.039049 -0.032980 0.103240 -0.001133 0.047823 0.029685 0.015048 0.305170 -0.070085 -0.050415 0.120500 8.002871 10.341553 0.576306 -1.458573 9.232389 -0.270935 4.434671 0.000001 72 C 14.019928 13.416770 0.671127 0.634005 22.889659 0.24947414E+03 0.52180287E+04 7.637622 5.738126 -0.348580 1.941231 0.998730 23.132256 67.388347 0.591670 0.494932 -0.997097 0.029992 0.062190 -0.020361 0.071984 -0.017888 0.054477 0.020828 0.058526 0.302512 -0.092098 -0.030386 0.122484 8.848373 9.453825 2.024006 -1.754334 11.547171 -2.092107 5.544123 0.000001 73 C 18.699743 4.094445 10.390940 0.200817 23.216750 0.32313560E+03 0.71708676E+04 7.472641 6.277643 -0.216854 1.955676 0.997382 26.466212 78.005424 0.603503 0.457341 -1.022581 -0.032269 0.043598 -0.033601 0.063805 0.010020 -0.018054 -0.042393 0.036940 -0.053812 -0.056876 0.008951 0.047925 7.995603 9.095695 -2.659298 2.563505 7.693994 0.127333 7.197119 0.000001 74 C 17.139804 4.767012 9.087572 -0.035699 35.630140 0.45985241E+03 0.10985626E+05 9.464182 7.191939 -0.025078 1.975353 0.999540 29.034641 84.686946 0.607848 0.421798 -1.058694 0.072018 -0.036556 0.046295 0.093092 -0.011142 -0.010784 -0.024302 0.063090 -0.030241 -0.046770 0.007208 0.039562 10.739786 11.280579 -0.709368 5.516533 8.240234 2.056609 12.698544 0.000001 75 C 17.284575 5.700252 10.104343 0.000178 33.659729 0.44594243E+03 0.10590376E+05 9.187081 7.156209 -0.140014 1.949828 0.999249 28.546091 83.492239 0.598901 0.430644 -1.051370 0.060480 -0.053225 0.020982 0.083253 0.002186 -0.011139 -0.034927 0.041464 -0.045377 -0.049632 0.014687 0.034946 10.085095 8.993822 -3.070777 1.527322 12.746458 2.802136 8.515005 0.000002 76 C 16.690855 7.003620 10.434145 0.665609 22.454917 0.24786969E+03 0.51687353E+04 7.537816 5.760628 -0.359673 1.949895 0.998881 22.472477 65.062988 0.585056 0.502051 -0.994962 -0.031859 0.100052 0.009938 0.105471 0.042087 -0.069843 -0.063414 -0.005296 0.059724 -0.069879 -0.050574 0.120454 8.336477 8.638917 -1.686087 2.729880 8.775840 1.282839 7.594673 0.000002 77 C 16.232144 4.641716 7.945505 0.637618 22.403685 0.25259926E+03 0.52898051E+04 7.498421 5.785869 -0.204971 1.993244 0.999348 22.811760 66.083684 0.588521 0.496977 -0.997963 -0.064376 0.003576 -0.090889 0.111436 0.057888 -0.033037 -0.059994 -0.020850 0.010406 -0.065850 -0.037127 0.102977 8.290006 9.485274 -1.925689 2.238990 6.680147 1.259710 8.704596 0.000003 78 C 16.658321 1.250078 10.942531 0.222666 24.173749 0.30876145E+03 0.67669261E+04 7.656166 6.120162 -0.201406 1.963333 0.998496 25.945582 75.722594 0.614333 0.454919 -1.025067 -0.045023 -0.034236 -0.024339 0.061575 -0.020490 0.022906 0.009321 -0.065937 -0.178407 -0.069521 0.000910 0.068611 8.499353 12.170635 1.867822 1.632777 4.744652 0.290279 8.582772 -0.000001 79 C 15.028437 0.849707 9.548431 -0.004358 38.210897 0.44635400E+03 0.10542402E+05 9.913787 7.067884 0.100796 2.029266 0.999586 27.990714 80.140225 0.617896 0.419692 -1.064205 0.079015 -0.003467 0.024710 0.082861 0.008191 0.017861 -0.000867 0.004260 -0.142047 -0.051577 0.016973 0.034604 11.973581 11.069369 1.885020 3.588210 5.887934 2.436488 18.963441 -0.000001 80 C 14.592501 0.711449 10.867641 0.013015 34.195302 0.43565227E+03 0.10234044E+05 9.152559 6.971713 -0.057153 1.971912 0.999401 28.034795 80.219268 0.623202 0.418379 -1.064347 0.093244 0.000807 0.026257 0.096874 -0.001406 0.017552 0.002681 -0.031090 -0.110997 -0.043730 0.009564 0.034166 10.365182 14.151177 2.081912 -2.277498 5.273137 -0.281122 11.671232 -0.000001 81 C 13.248905 0.457976 11.437955 0.640373 21.968968 0.24686374E+03 0.51135995E+04 7.268614 5.639158 -0.185953 2.003693 0.999125 22.198843 62.887613 0.612117 0.483062 -1.010282 -0.089699 -0.032981 0.039049 0.103240 -0.047855 -0.001131 -0.029664 -0.145065 -0.175147 -0.070083 -0.050428 0.120510 8.002881 10.341567 1.458572 0.576292 4.434678 0.270931 9.232398 0.000001 82 C 14.446103 0.671124 8.186016 0.634003 22.889774 0.24947503E+03 0.52180685E+04 7.637755 5.738208 -0.348580 1.941230 0.998730 23.132430 67.389689 0.591652 0.494945 -0.997087 -0.029992 -0.020363 -0.062189 0.071984 -0.054518 -0.017888 -0.020804 -0.121992 -0.239045 -0.092096 -0.030412 0.122508 8.848544 9.453999 1.754374 2.024070 5.544216 2.092163 11.547416 0.000001 83 C 10.566592 3.106477 11.211846 0.200816 23.216697 0.32313452E+03 0.71708320E+04 7.472618 6.277634 -0.216691 1.955729 0.997384 26.466094 78.004820 0.603504 0.457341 -1.022582 -0.032259 -0.043597 0.033594 0.063796 -0.010072 0.018001 -0.042395 0.036938 -0.053812 -0.056866 0.008942 0.047924 7.995572 9.095644 2.659266 -2.563494 7.693957 0.127342 7.197116 0.000001 84 C 9.006654 2.433910 12.515214 -0.035705 35.630345 0.45985515E+03 0.10985711E+05 9.464231 7.191970 -0.025070 1.975355 0.999540 29.034730 84.687369 0.607845 0.421799 -1.058693 0.072018 0.036554 -0.046296 0.093092 0.011083 0.010726 -0.024304 0.063091 -0.030238 -0.046743 0.007212 0.039531 10.739845 11.280630 0.709378 -5.516570 8.240277 2.056620 12.698627 0.000001 85 C 9.151424 1.500670 11.498443 0.000179 33.659660 0.44594145E+03 0.10590339E+05 9.187041 7.156182 -0.140010 1.949830 0.999248 28.546016 83.491748 0.598905 0.430642 -1.051373 0.060479 0.053226 -0.020983 0.083252 -0.002240 0.011080 -0.034926 0.041459 -0.045375 -0.049617 0.014684 0.034933 10.085050 8.993749 3.070736 -1.527311 12.746407 2.802149 8.514993 0.000002 86 C 8.557704 0.197302 11.168640 0.665609 22.454437 0.24786354E+03 0.51685733E+04 7.537690 5.760541 -0.359746 1.949878 0.998881 22.472251 65.062054 0.585063 0.502048 -0.994963 -0.031853 -0.100048 -0.009941 0.105466 -0.042129 0.069810 -0.063411 -0.005294 0.059719 -0.069832 -0.050617 0.120449 8.336332 8.638746 1.686039 -2.729815 8.775694 1.282828 7.594556 0.000002 87 C 24.365295 2.559206 13.657281 0.637616 22.403679 0.25259919E+03 0.52898105E+04 7.498455 5.785893 -0.204964 1.993245 0.999348 22.811832 66.084230 0.588515 0.496981 -0.997960 -0.064377 -0.003577 0.090887 0.111435 -0.057929 0.032996 -0.059996 -0.020855 0.010412 -0.065902 -0.037080 0.102983 8.290043 9.485298 1.925695 -2.238998 6.680182 1.259721 8.704649 0.000003 88 C 24.791472 5.950844 10.660255 0.222668 24.173542 0.30875807E+03 0.67668120E+04 7.656014 6.120046 -0.201387 1.963340 0.998496 25.945381 75.720998 0.614353 0.454907 -1.025077 -0.045023 0.034239 0.024340 0.061578 0.020439 -0.022956 0.009324 -0.065937 -0.178412 -0.069552 0.000967 0.068585 8.499177 12.170364 -1.867775 -1.632761 4.744559 0.290274 8.582610 -0.000001 89 C 23.161590 6.351216 12.054354 -0.004355 38.210532 0.44635027E+03 0.10542275E+05 9.913663 7.067814 0.100816 2.029273 0.999586 27.990554 80.139188 0.617905 0.419687 -1.064210 0.079015 0.003469 -0.024710 0.082861 -0.008240 -0.017914 -0.000865 0.004261 -0.142054 -0.051603 0.016940 0.034663 11.973415 11.069203 -1.884983 -3.588121 5.887856 2.436430 18.963187 -0.000001 90 C 22.725653 6.489474 10.735144 0.013013 34.195262 0.43565201E+03 0.10234031E+05 9.152533 6.971701 -0.057147 1.971913 0.999401 28.034815 80.219177 0.623204 0.418378 -1.064349 0.093244 -0.000807 -0.026255 0.096873 0.001364 -0.017596 0.002680 -0.031089 -0.110999 -0.043759 0.009595 0.034164 10.365145 14.151126 -2.081906 2.277455 5.273122 -0.281118 11.671187 -0.000001 91 C 21.382056 6.742947 10.164831 0.640376 21.968983 0.24686368E+03 0.51135951E+04 7.268605 5.639149 -0.185961 2.003691 0.999125 22.198820 62.887413 0.612119 0.483060 -1.010283 -0.089699 0.032980 -0.039049 0.103240 0.047822 0.001096 -0.029665 -0.145061 -0.175153 -0.070043 -0.050453 0.120496 8.002871 10.341536 -1.458565 -0.576314 4.434668 0.270935 9.232409 0.000001 92 C 22.579257 6.529798 13.416770 0.634002 22.889744 0.24947486E+03 0.52180643E+04 7.637750 5.738209 -0.348579 1.941231 0.998730 23.132430 67.389700 0.591652 0.494945 -0.997087 -0.029992 0.020363 0.062189 0.071983 0.054478 0.017847 -0.020803 -0.121992 -0.239038 -0.092059 -0.030424 0.122483 8.848533 9.453999 -1.754376 -2.024064 5.544206 2.092152 11.547394 0.000001 93 C 14.633168 4.010914 11.295376 0.200816 23.216996 0.32313935E+03 0.71709539E+04 7.472615 6.277631 -0.216862 1.955672 0.997382 26.466271 78.004984 0.603512 0.457333 -1.022587 -0.032260 0.033594 0.043600 0.063799 0.018000 0.010014 0.042429 0.045379 -0.028501 -0.056907 0.009006 0.047901 7.995570 9.095647 -2.563494 -2.659263 7.197110 -0.127348 7.693952 0.000001 94 C 13.073230 5.314282 11.967943 -0.035701 35.630195 0.45985233E+03 0.10985635E+05 9.464236 7.191970 -0.025093 1.975350 0.999540 29.034666 84.687348 0.607842 0.421802 -1.058690 0.072016 -0.046294 -0.036555 0.093090 0.010727 -0.011140 0.024336 0.046664 -0.079514 -0.046789 0.007247 0.039542 10.739853 11.280626 -5.516574 -0.709365 12.698639 -2.056639 8.240293 0.000001 95 C 13.218000 4.297511 12.901184 0.000168 33.660153 0.44594917E+03 0.10590584E+05 9.187174 7.156274 -0.140011 1.949826 0.999249 28.546350 83.493388 0.598896 0.430645 -1.051369 0.060495 -0.020985 -0.053238 0.083272 0.011089 0.002205 0.034950 0.043398 -0.039508 -0.049642 0.014719 0.034923 10.085202 8.993885 -1.527344 -3.070787 8.515118 -2.802197 12.746603 0.000002 96 C 12.624280 3.967708 14.204552 0.665634 22.454288 0.24786129E+03 0.51685257E+04 7.537734 5.760569 -0.359682 1.949898 0.998880 22.472179 65.062304 0.585052 0.502057 -0.994957 -0.031862 -0.009931 0.100043 0.105463 0.069796 0.042090 0.063422 -0.032522 -0.021901 -0.069839 -0.050588 0.120427 8.336384 8.638804 -2.729843 -1.686056 7.594603 -1.282830 8.775744 0.000003 97 C 12.165571 6.456349 11.842647 0.637617 22.403727 0.25259980E+03 0.52898206E+04 7.498432 5.785876 -0.204965 1.993246 0.999348 22.811807 66.083898 0.588521 0.496977 -0.997963 -0.064376 0.090888 0.003576 0.111435 0.032993 0.057888 0.060019 -0.015629 0.026076 -0.065881 -0.037090 0.102971 8.290016 9.485255 -2.238994 -1.925679 8.704625 -1.259726 6.680169 0.000003 98 C 12.591746 3.459324 8.451010 0.222670 24.173683 0.30875949E+03 0.67668624E+04 7.656104 6.120100 -0.201411 1.963333 0.998496 25.945487 75.721829 0.614343 0.454913 -1.025072 -0.045021 0.024339 -0.034237 0.061574 -0.022954 -0.020488 -0.009294 0.056233 0.188104 -0.069545 0.000938 0.068607 8.499294 12.170554 -1.632826 1.867819 8.582713 -0.290295 4.744615 -0.000001 99 C 10.961863 4.853424 8.050638 -0.004356 38.210925 0.44635291E+03 0.10542370E+05 9.913803 7.067875 0.100813 2.029272 0.999586 27.990653 80.140034 0.617896 0.419692 -1.064205 0.079015 -0.024708 -0.003469 0.082861 -0.017911 0.008189 0.000890 0.073154 0.064641 -0.051602 0.016989 0.034613 11.973626 11.069355 -3.588234 1.885026 18.963588 -2.436515 5.887937 -0.000001 100 C 10.525926 3.534214 7.912380 0.013008 34.195943 0.43566160E+03 0.10234329E+05 9.152696 6.971805 -0.057203 1.971893 0.999401 28.035182 80.220920 0.623194 0.418381 -1.064345 0.093244 -0.026256 0.000806 0.096874 -0.017596 -0.001408 -0.002656 0.039954 0.102129 -0.043757 0.009594 0.034163 10.365344 14.151394 2.277498 2.081950 11.671430 0.281113 5.273208 -0.000001 101 C 9.182329 2.963900 7.658908 0.640373 21.969338 0.24686833E+03 0.51137249E+04 7.268740 5.639245 -0.185972 2.003685 0.999125 22.199062 62.888679 0.612106 0.483067 -1.010278 -0.089699 -0.039049 -0.032980 0.103240 0.001097 -0.047858 0.029686 0.015046 0.305167 -0.070065 -0.050455 0.120520 8.003024 10.341746 -0.576310 1.458601 9.232586 -0.270941 4.434741 0.000001 102 C 10.379530 6.215839 7.872055 0.634000 22.889542 0.24947200E+03 0.52180128E+04 7.637815 5.738243 -0.348566 1.941234 0.998730 23.132602 67.391234 0.591637 0.494957 -0.997077 -0.029993 0.062189 -0.020362 0.071984 0.017850 -0.054516 0.020825 0.058523 0.302511 -0.092076 -0.030435 0.122511 8.848628 9.454082 -2.024114 1.754388 11.547540 -2.092199 5.544263 0.000001 103 C 22.766317 3.190008 10.307409 0.200814 23.216695 0.32313453E+03 0.71708360E+04 7.472643 6.277652 -0.216869 1.955668 0.997382 26.466093 78.004967 0.603500 0.457343 -1.022580 -0.032258 -0.033595 -0.043598 0.063796 -0.018059 -0.010076 0.042430 0.045381 -0.028503 -0.056909 0.008921 0.047987 7.995603 9.095684 2.563503 2.659279 7.197133 -0.127350 7.693991 0.000001 104 C 21.206379 1.886641 9.634842 -0.035701 35.630390 0.45985503E+03 0.10985714E+05 9.464259 7.191979 -0.025118 1.975340 0.999540 29.034771 84.687681 0.607843 0.421801 -1.058691 0.072016 0.046295 0.036555 0.093091 -0.010779 0.011086 0.024333 0.046663 -0.079525 -0.046784 0.007235 0.039549 10.739891 11.280679 5.516605 0.709370 12.698687 -2.056641 8.240307 0.000001 105 C 21.351149 2.903412 8.701602 0.000177 33.659963 0.44594570E+03 0.10590477E+05 9.187132 7.156241 -0.140038 1.949819 0.999248 28.546234 83.492852 0.598899 0.430645 -1.051370 0.060478 0.020983 0.053226 0.083252 -0.011136 -0.002237 0.034957 0.043420 -0.039502 -0.049656 0.014674 0.034982 10.085158 8.993837 1.527340 3.070756 8.515092 -2.802199 12.746543 0.000002 106 C 20.757428 3.233215 7.398234 0.665601 22.454769 0.24786767E+03 0.51686910E+04 7.537816 5.760625 -0.359764 1.949867 0.998881 22.472536 65.063496 0.585052 0.502054 -0.994958 -0.031859 0.009941 -0.100045 0.105465 -0.069841 -0.042127 0.063429 -0.032508 -0.021920 -0.069869 -0.050615 0.120484 8.336478 8.638897 2.729886 1.686064 7.594702 -1.282851 8.775836 0.000002 107 C 20.298719 0.744573 9.760138 0.637618 22.403691 0.25259939E+03 0.52898200E+04 7.498470 5.785902 -0.204986 1.993238 0.999348 22.811921 66.084689 0.588514 0.496982 -0.997959 -0.064379 -0.090887 -0.003576 0.111436 -0.033033 -0.057929 0.060017 -0.015631 0.026074 -0.065899 -0.037120 0.103019 8.290064 9.485313 2.239012 1.925682 8.704688 -1.259731 6.680191 0.000003 108 C 20.724898 3.741599 13.151776 0.222668 24.173623 0.30875943E+03 0.67668625E+04 7.656098 6.120111 -0.201403 1.963335 0.998496 25.945465 75.721842 0.614341 0.454914 -1.025071 -0.045023 -0.024340 0.034236 0.061576 0.022904 0.020440 -0.009294 0.056233 0.188107 -0.069508 0.000925 0.068583 8.499271 12.170514 1.632777 -1.867801 8.582688 -0.290280 4.744612 -0.000001 109 C 19.095014 2.347499 13.552147 -0.004355 38.210515 0.44635030E+03 0.10542274E+05 9.913655 7.067815 0.100803 2.029268 0.999586 27.990560 80.139173 0.617905 0.419687 -1.064210 0.079016 0.024708 0.003469 0.082862 0.017860 -0.008241 0.000892 0.073156 0.064644 -0.051582 0.016939 0.034643 11.973397 11.069195 3.588124 -1.884985 18.963135 -2.436439 5.887860 -0.000001 110 C 18.659078 3.666709 13.690405 0.013010 34.195522 0.43565636E+03 0.10234163E+05 9.152586 6.971744 -0.057161 1.971907 0.999401 28.034957 80.219799 0.623200 0.418379 -1.064348 0.093244 0.026257 -0.000807 0.096874 0.017550 0.001363 -0.002655 0.039952 0.102138 -0.043726 0.009563 0.034164 10.365201 14.151212 -2.277462 -2.081923 11.671235 0.281117 5.273157 -0.000001 111 C 17.315481 4.237022 13.943878 0.640375 21.969123 0.24686584E+03 0.51136450E+04 7.268609 5.639157 -0.185972 2.003686 0.999125 22.198837 62.887253 0.612122 0.483057 -1.010286 -0.089699 0.039049 0.032980 0.103240 -0.001133 0.047823 0.029685 0.015048 0.305170 -0.070085 -0.050415 0.120500 8.002871 10.341553 0.576306 -1.458573 9.232389 -0.270935 4.434671 0.000001 112 C 18.512680 0.985083 13.730730 0.634005 22.889658 0.24947413E+03 0.52180285E+04 7.637622 5.738126 -0.348580 1.941231 0.998730 23.132256 67.388349 0.591670 0.494932 -0.997097 -0.029992 -0.062190 0.020361 0.071984 -0.017888 0.054477 0.020828 0.058526 0.302512 -0.092098 -0.030386 0.122484 8.848373 9.453825 2.024006 -1.754334 11.547172 -2.092107 5.544123 0.000001 113 N 14.254162 9.129336 3.472288 -0.430402 41.588493 0.73288622E+03 0.19353903E+05 10.046896 8.793259 -0.127784 1.922936 0.999370 32.717468 95.130465 0.586246 0.395635 -1.093457 0.076083 0.086089 0.179908 0.213464 -0.038335 -0.057343 -0.071298 0.030540 -0.179801 -0.130169 0.057306 0.072863 10.727539 10.693524 -1.903575 3.241684 10.705606 1.602336 10.783488 -0.000001 114 N 14.490024 10.654492 5.135702 -0.450611 42.150718 0.75071218E+03 0.19942747E+05 10.104984 8.892979 -0.098556 1.921999 0.999007 33.344368 97.219908 0.583636 0.395050 -1.093936 0.011961 -0.190871 -0.109509 0.220380 -0.002499 0.016675 -0.093601 0.118372 -0.017388 -0.128339 0.049324 0.079015 10.673738 11.577291 -2.110482 2.736513 10.419131 1.679924 10.024793 -0.000000 115 N 16.168707 13.197860 4.775656 -0.476879 44.386570 0.72630923E+03 0.19107052E+05 10.421661 8.694113 -0.080348 1.928739 0.999562 33.108060 95.591403 0.596587 0.390266 -1.098921 0.142837 0.062335 -0.157247 0.221393 -0.010100 0.091912 0.015741 -0.034084 -0.097851 -0.112321 0.035573 0.076748 11.458083 14.531713 2.674310 0.787717 6.755510 0.777322 13.087026 -0.000001 116 N 16.916956 13.426851 2.668664 -0.447710 41.572067 0.69262710E+03 0.18022719E+05 9.989011 8.517991 -0.101193 1.928403 0.999460 32.604688 93.909594 0.599210 0.392831 -1.096102 -0.003070 0.030662 0.210267 0.212513 0.015028 0.015944 0.004083 0.015546 -0.368345 -0.124142 0.044604 0.079539 10.821075 13.530571 1.530198 0.631687 6.270003 -0.236588 12.662650 -0.000002 117 N 22.387313 12.473447 3.728641 -0.430403 41.588384 0.73288489E+03 0.19353854E+05 10.046873 8.793251 -0.127799 1.922933 0.999370 32.717406 95.130172 0.586246 0.395635 -1.093458 0.076086 -0.086087 -0.179904 0.213461 0.038268 0.057275 -0.071298 0.030534 -0.179798 -0.130105 0.057313 0.072792 10.727506 10.693476 1.903566 -3.241663 10.705576 1.602319 10.783467 -0.000001 118 N 22.623174 10.948291 2.065226 -0.450596 42.150273 0.75070159E+03 0.19942381E+05 10.104881 8.892891 -0.098558 1.921999 0.999007 33.344116 97.218721 0.583642 0.395048 -1.093939 0.011962 0.190876 0.109520 0.220389 0.002432 -0.016746 -0.093593 0.118370 -0.017354 -0.128338 0.049308 0.079030 10.673627 11.577145 2.110457 -2.736485 10.419032 1.679911 10.024705 -0.000000 119 N 8.035555 8.404923 2.425273 -0.476881 44.386534 0.72630832E+03 0.19106994E+05 10.421593 8.694064 -0.080347 1.928739 0.999562 33.108040 95.590811 0.596594 0.390262 -1.098925 0.142835 -0.062334 0.157244 0.221389 0.010045 -0.091973 0.015740 -0.034095 -0.097856 -0.112374 0.035565 0.076809 11.457999 14.531564 -2.674279 -0.787708 6.755459 0.777311 13.086974 -0.000001 120 N 8.783806 8.175933 4.532264 -0.447710 41.572058 0.69262671E+03 0.18022697E+05 9.988988 8.517977 -0.101235 1.928388 0.999460 32.604699 93.909423 0.599212 0.392830 -1.096103 -0.003069 -0.030660 -0.210269 0.212515 -0.015091 -0.016000 0.004083 0.015551 -0.368334 -0.124148 0.044547 0.079600 10.821049 13.530521 -1.530192 -0.631724 6.269984 -0.236587 12.662643 -0.000002 121 N 18.320737 10.929569 1.928409 -0.430411 41.589033 0.73289867E+03 0.19354318E+05 10.046981 8.793335 -0.127826 1.922919 0.999370 32.717793 95.131695 0.586243 0.395635 -1.093457 0.076083 -0.179903 0.086089 0.213460 0.057277 -0.038332 0.071337 0.105168 0.044094 -0.130159 0.057330 0.072829 10.727631 10.693601 -3.241730 -1.903578 10.783618 -1.602353 10.705674 -0.000001 122 N 18.556599 9.266154 3.453565 -0.450600 42.150433 0.75070369E+03 0.19942433E+05 10.104857 8.892864 -0.098563 1.921995 0.999007 33.344222 97.218741 0.583647 0.395045 -1.093942 0.011962 0.109520 -0.190875 0.220389 -0.016748 -0.002505 0.093635 0.067866 -0.168882 -0.128376 0.049279 0.079097 10.673605 11.577111 -2.736482 -2.110444 10.024681 -1.679923 10.419023 -0.000000 123 N 20.235282 9.626200 5.996933 -0.476874 44.385695 0.72629010E+03 0.19106381E+05 10.421434 8.693924 -0.080314 1.928753 0.999562 33.107672 95.589181 0.596602 0.390259 -1.098928 0.142836 0.157246 0.062337 0.221392 -0.091973 -0.010104 -0.015706 0.031889 0.100059 -0.112376 0.035571 0.076805 11.457837 14.531337 -0.787796 2.674249 13.086808 -0.777336 6.755368 -0.000001 124 N 20.983532 11.733191 6.225923 -0.447711 41.572161 0.69262849E+03 0.18022761E+05 9.989016 8.517991 -0.101248 1.928385 0.999460 32.604759 93.909744 0.599211 0.392831 -1.096102 -0.003067 -0.210265 0.030662 0.212511 -0.016004 0.015027 -0.004053 0.191955 0.160845 -0.124154 0.044607 0.079548 10.821090 13.530585 -0.631765 1.530212 12.662673 0.236570 6.270013 -0.000002 125 N 10.187588 10.673215 5.272520 -0.430402 41.588307 0.73288138E+03 0.19353714E+05 10.046800 8.793177 -0.127823 1.922925 0.999370 32.717346 95.129507 0.586255 0.395630 -1.093462 0.076085 0.179905 -0.086086 0.213461 -0.057344 0.038264 0.071337 0.105171 0.044095 -0.130175 0.057362 0.072813 10.727440 10.693410 3.241658 1.903546 10.783408 -1.602331 10.705503 -0.000001 126 N 10.423450 12.336630 3.747363 -0.450603 42.150710 0.75071117E+03 0.19942705E+05 10.104957 8.892951 -0.098585 1.921987 0.999007 33.344352 97.219672 0.583640 0.395048 -1.093938 0.011962 -0.109519 0.190875 0.220388 0.016673 0.002431 0.093634 0.067864 -0.168881 -0.128376 0.049383 0.078992 10.673715 11.577245 2.736501 2.110485 10.024773 -1.679932 10.419127 -0.000000 127 N 12.102131 11.976584 1.203995 -0.476879 44.386316 0.72630422E+03 0.19106858E+05 10.421558 8.694040 -0.080322 1.928748 0.999562 33.107885 95.590264 0.596595 0.390262 -1.098925 0.142837 -0.157249 -0.062335 0.221394 0.091914 0.010045 -0.015713 0.031888 0.100070 -0.112312 0.035562 0.076750 11.457956 14.531505 0.787716 -2.674267 13.086915 -0.777319 6.755448 -0.000001 128 N 12.850380 9.869592 0.975006 -0.447708 41.571941 0.69262519E+03 0.18022660E+05 9.988995 8.517987 -0.101246 1.928387 0.999460 32.604699 93.909656 0.599209 0.392832 -1.096101 -0.003067 0.210265 -0.030661 0.212511 0.015941 -0.015089 -0.004053 0.191954 0.160842 -0.124143 0.044550 0.079593 10.821049 13.530528 0.631716 -1.530197 12.662619 0.236583 6.270000 -0.000001 129 N 18.278446 5.272517 10.929569 -0.430402 41.588493 0.73288622E+03 0.19353903E+05 10.046896 8.793259 -0.127783 1.922936 0.999370 32.717468 95.130465 0.586246 0.395635 -1.093457 -0.076083 -0.086089 -0.179908 0.213464 -0.038335 -0.057343 -0.071298 0.030540 -0.179801 -0.130169 0.057306 0.072863 10.727539 10.693524 -1.903575 3.241684 10.705606 1.602336 10.783488 -0.000001 130 N 18.042584 3.747361 9.266155 -0.450611 42.150716 0.75071214E+03 0.19942746E+05 10.104984 8.892980 -0.098555 1.921999 0.999007 33.344367 97.219908 0.583636 0.395050 -1.093936 -0.011961 0.190871 0.109509 0.220380 -0.002499 0.016675 -0.093601 0.118372 -0.017388 -0.128339 0.049324 0.079015 10.673739 11.577291 -2.110482 2.736513 10.419132 1.679924 10.024794 -0.000000 131 N 16.363901 1.203993 9.626201 -0.476879 44.386566 0.72630915E+03 0.19107049E+05 10.421660 8.694113 -0.080348 1.928739 0.999562 33.108058 95.591394 0.596587 0.390266 -1.098921 -0.142837 -0.062335 0.157247 0.221393 -0.010100 0.091912 0.015741 -0.034084 -0.097851 -0.112321 0.035573 0.076748 11.458082 14.531712 2.674310 0.787717 6.755510 0.777322 13.087025 -0.000001 132 N 15.615652 0.975002 11.733193 -0.447710 41.572066 0.69262708E+03 0.18022719E+05 9.989012 8.517991 -0.101193 1.928403 0.999460 32.604687 93.909594 0.599210 0.392831 -1.096101 0.003070 -0.030662 -0.210267 0.212513 0.015028 0.015944 0.004083 0.015546 -0.368345 -0.124142 0.044603 0.079539 10.821075 13.530571 1.530198 0.631687 6.270003 -0.236588 12.662651 -0.000002 133 N 10.145295 1.928406 10.673216 -0.430403 41.588386 0.73288492E+03 0.19353855E+05 10.046874 8.793252 -0.127799 1.922933 0.999370 32.717407 95.130176 0.586246 0.395635 -1.093458 -0.076086 0.086087 0.179904 0.213461 0.038268 0.057275 -0.071298 0.030534 -0.179798 -0.130105 0.057313 0.072792 10.727507 10.693476 1.903566 -3.241663 10.705576 1.602319 10.783468 -0.000001 134 N 9.909434 3.453562 12.336631 -0.450596 42.150277 0.75070167E+03 0.19942384E+05 10.104882 8.892892 -0.098558 1.921999 0.999007 33.344118 97.218732 0.583642 0.395048 -1.093939 -0.011962 -0.190876 -0.109520 0.220389 0.002432 -0.016746 -0.093593 0.118370 -0.017354 -0.128338 0.049308 0.079030 10.673629 11.577146 2.110457 -2.736485 10.419033 1.679912 10.024706 -0.000000 135 N 24.497053 5.996930 11.976584 -0.476881 44.386537 0.72630839E+03 0.19106997E+05 10.421593 8.694064 -0.080347 1.928739 0.999562 33.108042 95.590816 0.596594 0.390262 -1.098925 -0.142835 0.062334 -0.157244 0.221389 0.010045 -0.091973 0.015740 -0.034095 -0.097856 -0.112374 0.035565 0.076809 11.457999 14.531564 -2.674279 -0.787709 6.755459 0.777311 13.086974 -0.000001 136 N 23.748802 6.225920 9.869593 -0.447710 41.572056 0.69262668E+03 0.18022696E+05 9.988988 8.517977 -0.101235 1.928388 0.999460 32.604698 93.909420 0.599212 0.392830 -1.096103 0.003069 0.030660 0.210269 0.212515 -0.015091 -0.016000 0.004083 0.015551 -0.368334 -0.124148 0.044547 0.079600 10.821049 13.530520 -1.530192 -0.631724 6.269984 -0.236587 12.662643 -0.000002 137 N 14.211871 3.472284 12.473448 -0.430411 41.589033 0.73289866E+03 0.19354318E+05 10.046981 8.793335 -0.127826 1.922919 0.999370 32.717793 95.131696 0.586243 0.395635 -1.093457 -0.076083 0.179903 -0.086089 0.213460 0.057277 -0.038332 0.071337 0.105168 0.044094 -0.130159 0.057330 0.072829 10.727631 10.693601 -3.241730 -1.903579 10.783618 -1.602353 10.705674 -0.000001 138 N 13.976009 5.135699 10.948292 -0.450600 42.150437 0.75070377E+03 0.19942435E+05 10.104857 8.892865 -0.098563 1.921995 0.999007 33.344224 97.218746 0.583647 0.395045 -1.093942 -0.011962 -0.109520 0.190876 0.220389 -0.016748 -0.002505 0.093635 0.067866 -0.168883 -0.128376 0.049279 0.079097 10.673605 11.577112 -2.736482 -2.110444 10.024681 -1.679923 10.419024 -0.000000 139 N 12.297326 4.775653 8.404924 -0.476874 44.385694 0.72629008E+03 0.19106380E+05 10.421434 8.693924 -0.080314 1.928753 0.999562 33.107672 95.589179 0.596602 0.390259 -1.098928 -0.142836 -0.157246 -0.062337 0.221392 -0.091973 -0.010104 -0.015706 0.031889 0.100059 -0.112376 0.035571 0.076805 11.457837 14.531336 -0.787796 2.674249 13.086807 -0.777336 6.755367 -0.000001 140 N 11.549076 2.668662 8.175934 -0.447711 41.572165 0.69262857E+03 0.18022763E+05 9.989017 8.517992 -0.101248 1.928385 0.999460 32.604761 93.909754 0.599211 0.392831 -1.096102 0.003067 0.210265 -0.030662 0.212511 -0.016004 0.015027 -0.004053 0.191955 0.160845 -0.124154 0.044607 0.079548 10.821091 13.530586 -0.631765 1.530212 12.662675 0.236570 6.270014 -0.000002 141 N 22.345020 3.728638 9.129337 -0.430402 41.588306 0.73288134E+03 0.19353713E+05 10.046800 8.793176 -0.127823 1.922925 0.999370 32.717345 95.129502 0.586255 0.395630 -1.093462 -0.076085 -0.179905 0.086086 0.213461 -0.057344 0.038264 0.071337 0.105171 0.044095 -0.130175 0.057362 0.072813 10.727440 10.693410 3.241658 1.903546 10.783407 -1.602331 10.705503 -0.000001 142 N 22.109158 2.065223 10.654494 -0.450603 42.150712 0.75071121E+03 0.19942706E+05 10.104957 8.892951 -0.098585 1.921987 0.999007 33.344353 97.219677 0.583640 0.395048 -1.093938 -0.011962 0.109519 -0.190875 0.220388 0.016673 0.002431 0.093634 0.067864 -0.168881 -0.128376 0.049383 0.078992 10.673715 11.577246 2.736501 2.110485 10.024774 -1.679932 10.419127 -0.000000 143 N 20.430477 2.425269 13.197862 -0.476879 44.386319 0.72630430E+03 0.19106860E+05 10.421559 8.694040 -0.080321 1.928748 0.999562 33.107887 95.590270 0.596595 0.390262 -1.098925 -0.142837 0.157249 0.062335 0.221394 0.091914 0.010045 -0.015713 0.031888 0.100070 -0.112312 0.035562 0.076750 11.457956 14.531505 0.787717 -2.674267 13.086915 -0.777319 6.755448 -0.000001 144 N 19.682228 4.532261 13.426851 -0.447708 41.571940 0.69262518E+03 0.18022660E+05 9.988995 8.517987 -0.101246 1.928387 0.999460 32.604699 93.909655 0.599209 0.392832 -1.096101 0.003067 -0.210265 0.030661 0.212511 0.015941 -0.015089 -0.004053 0.191954 0.160842 -0.124143 0.044550 0.079593 10.821049 13.530527 0.631715 -1.530197 12.662619 0.236583 6.270000 -0.000001 145 O 15.330990 6.751590 3.018629 -0.631354 37.404700 0.56815408E+03 0.13888246E+05 8.919670 7.420940 0.225976 2.100895 0.997114 28.966909 77.511836 0.689353 0.363482 -1.132173 0.063008 -0.027599 0.060795 0.091803 0.062889 -0.002680 -0.020171 0.019694 0.150146 -0.090014 0.028642 0.061372 9.800879 8.413809 1.402288 3.750975 8.805060 3.572773 12.183767 -0.000003 146 O 16.842130 6.937373 4.621556 -0.703558 42.590339 0.67033597E+03 0.17062691E+05 9.681963 8.052177 0.246261 2.078310 0.998221 30.608318 83.337713 0.663416 0.362715 -1.133770 -0.115697 -0.045076 -0.033525 0.128614 0.033254 0.010590 -0.058044 0.082637 0.045201 -0.092358 0.037989 0.054369 10.570956 14.148450 -1.549969 4.508721 8.053727 -1.782550 9.510692 0.000001 147 O 17.357773 9.029963 6.541323 -0.684786 41.910201 0.68517722E+03 0.17530192E+05 9.582454 8.173479 0.167295 2.061683 0.997004 30.357882 82.775502 0.654757 0.365630 -1.131891 -0.069714 0.076733 0.053331 0.116586 -0.001830 -0.045352 -0.024078 -0.003329 -0.115396 -0.069148 0.021678 0.047470 10.245772 14.827477 -3.742342 0.433097 8.598780 -0.705716 7.311059 0.000001 148 O 16.019057 10.619927 7.321904 -0.625990 34.899128 0.57125953E+03 0.13987137E+05 8.490650 7.460177 0.289879 2.123674 0.996678 28.934619 77.560414 0.684723 0.365339 -1.130413 0.064259 -0.086529 0.030514 0.112016 0.010751 -0.044385 0.001361 -0.077134 -0.006802 -0.068455 0.026220 0.042235 8.827864 6.760988 -1.380138 -0.676888 10.034297 3.008895 9.688308 -0.000001 149 O 19.361781 13.786897 1.703740 -0.628862 39.461589 0.66240692E+03 0.16793566E+05 9.249267 8.066710 0.122379 2.063680 0.996612 29.425346 79.689585 0.655826 0.368383 -1.130542 0.051188 0.041800 0.048655 0.082065 -0.051567 0.028124 -0.000655 -0.147780 0.102147 -0.112000 0.036721 0.075279 9.930971 7.194326 0.241004 0.593611 6.714175 -1.160400 15.884411 0.000001 150 O 20.251549 14.342808 3.676794 -0.667657 37.798007 0.58277172E+03 0.14311071E+05 8.877042 7.464131 0.345670 2.126192 0.997963 29.434656 78.491011 0.695731 0.358502 -1.138090 -0.043925 0.010499 -0.100293 0.109993 -0.011155 0.039478 0.000439 -0.067463 -0.058549 -0.061960 0.015904 0.046056 9.612069 12.982777 0.951787 4.636888 5.917847 0.871463 9.935582 -0.000003 151 O 19.249545 14.172866 6.392984 -0.719372 50.983224 0.79840057E+03 0.21299963E+05 11.101774 8.934395 -0.274288 1.903873 0.996346 31.932884 89.966992 0.612361 0.374922 -1.120754 -0.057999 -0.000367 -0.042411 0.071852 -0.001502 0.025522 -0.012991 -0.054672 -0.225880 -0.083318 0.016859 0.066460 12.652283 17.262258 2.127482 2.531996 9.392520 3.679759 11.302072 -0.000001 152 O 17.336628 13.399486 7.186527 -0.678680 43.679501 0.72921994E+03 0.18970989E+05 9.956088 8.481885 0.020498 2.012806 0.995710 30.758940 84.880075 0.636381 0.369962 -1.127307 0.026732 -0.006481 -0.016068 0.031856 -0.033752 -0.070730 -0.035269 -0.092510 -0.037844 -0.112570 0.044427 0.068143 10.870832 10.564897 1.808151 -2.141254 8.678729 1.905457 13.368869 -0.000001 153 O 15.330989 0.449337 4.182299 -0.631360 37.406880 0.56819391E+03 0.13889495E+05 8.920128 7.421297 0.225946 2.100880 0.997114 28.967337 77.514343 0.689322 0.363492 -1.132163 0.063009 0.027602 -0.060797 0.091805 -0.062940 0.002638 -0.020175 0.019685 0.150148 -0.090069 0.028704 0.061365 9.801399 8.414248 -1.402353 -3.751210 8.805521 3.572976 12.184428 -0.000003 154 O 16.842128 0.263553 2.579373 -0.703555 42.590662 0.67034293E+03 0.17062924E+05 9.682036 8.052240 0.246254 2.078306 0.998221 30.608469 83.338446 0.663410 0.362717 -1.133768 -0.115703 0.045073 0.033524 0.128618 -0.033304 -0.010643 -0.058044 0.082643 0.045219 -0.092396 0.038034 0.054362 10.571033 14.148533 1.549947 -4.508770 8.053774 -1.782551 9.510792 0.000001 155 O 9.224622 12.572821 0.659605 -0.684788 41.911654 0.68520714E+03 0.17531162E+05 9.582725 8.173704 0.167288 2.061680 0.997004 30.358054 82.776646 0.654742 0.365635 -1.131887 -0.069714 -0.076733 -0.053331 0.116585 0.001777 0.045299 -0.024081 -0.003333 -0.115380 -0.069093 0.021631 0.047462 10.246061 14.827895 3.742438 -0.433112 8.599011 -0.705742 7.311278 0.000001 156 O 16.019059 10.982852 14.280881 -0.625982 34.898748 0.57125118E+03 0.13986879E+05 8.490590 7.460121 0.289910 2.123688 0.996678 28.934351 77.559494 0.684725 0.365339 -1.130414 0.064257 0.086528 -0.030514 0.112014 -0.010794 0.044334 0.001361 -0.077138 -0.006793 -0.068416 0.026166 0.042250 8.827803 6.760936 1.380143 0.676895 10.034240 3.008880 9.688234 -0.000001 157 O 11.228631 7.815886 5.497189 -0.628864 39.460684 0.66238648E+03 0.16792873E+05 9.248992 8.066471 0.122322 2.063662 0.996611 29.425342 79.688467 0.655852 0.368372 -1.130553 0.051189 -0.041801 -0.048657 0.082068 0.051524 -0.028172 -0.000653 -0.147770 0.102144 -0.111989 0.036733 0.075257 9.930679 7.194096 -0.240984 -0.593612 6.713975 -1.160355 15.883967 0.000001 158 O 12.118396 7.259975 3.524134 -0.667659 37.798842 0.58278688E+03 0.14311546E+05 8.877192 7.464248 0.345673 2.126188 0.997963 29.434910 78.492139 0.695722 0.358504 -1.138087 -0.043929 -0.010502 0.100287 0.109989 0.011121 -0.039515 0.000448 -0.067459 -0.058549 -0.061993 0.015954 0.046040 9.612238 12.982999 -0.951799 -4.636994 5.917931 0.871478 9.935783 -0.000003 159 O 11.116392 7.429918 0.807944 -0.719372 50.982645 0.79838997E+03 0.21299591E+05 11.101638 8.934295 -0.274273 1.903878 0.996346 31.932798 89.966311 0.612369 0.374918 -1.120758 -0.058002 0.000367 0.042410 0.071854 0.001444 -0.025581 -0.012989 -0.054669 -0.225885 -0.083351 0.016900 0.066451 12.652112 17.262052 -2.127470 -2.531932 9.392376 3.679681 11.301907 -0.000001 160 O 9.203475 8.203298 0.014402 -0.678679 43.680408 0.72923838E+03 0.18971605E+05 9.956270 8.482032 0.020441 2.012790 0.995711 30.759065 84.880967 0.636370 0.369966 -1.127303 0.026728 0.006485 0.016072 0.031855 0.033698 0.070676 -0.035274 -0.092499 -0.037834 -0.112498 0.044362 0.068136 10.871037 10.565128 -1.808227 2.141246 8.678895 1.905515 13.369089 -0.000001 161 O 27.530720 11.383224 13.952519 -0.631361 37.406540 0.56818759E+03 0.13889298E+05 8.920064 7.421243 0.226017 2.100907 0.997114 28.967200 77.513778 0.689326 0.363490 -1.132164 0.063005 -0.060794 -0.027603 0.091801 0.002636 0.062891 0.020198 -0.065240 -0.104617 -0.090029 0.028661 0.061368 9.801329 8.414180 -3.751186 1.402345 12.184349 -3.572949 8.805458 -0.000003 162 O 29.041859 9.780297 14.138303 -0.703570 42.591078 0.67035066E+03 0.17063159E+05 9.682054 8.052244 0.246168 2.078275 0.998221 30.608752 83.339130 0.663415 0.362713 -1.133772 -0.115695 0.033522 -0.045076 0.128611 -0.010639 0.033248 0.058073 0.018722 -0.146564 -0.092393 0.038040 0.054352 10.571058 14.148579 -4.508790 -1.549961 9.510804 1.782559 8.053792 0.000001 163 O 21.424346 7.860533 1.829036 -0.684788 41.911265 0.68519950E+03 0.17530913E+05 9.582643 8.173642 0.167273 2.061675 0.997004 30.358036 82.776397 0.654746 0.365633 -1.131889 -0.069715 -0.053329 0.076733 0.116585 0.045299 -0.001824 0.024106 0.056029 0.062696 -0.069116 0.021673 0.047443 10.245969 14.827750 -0.433108 -3.742401 7.311213 0.705732 8.598944 0.000001 164 O 20.085630 7.079952 3.419001 -0.625985 34.898585 0.57124771E+03 0.13986770E+05 8.490547 7.460084 0.289870 2.123674 0.996678 28.934415 77.559546 0.684729 0.365338 -1.130415 0.064257 -0.030513 -0.086528 0.112013 0.044338 0.010750 -0.001336 -0.035169 0.119109 -0.068412 0.026170 0.042241 8.827761 6.760890 0.676884 -1.380113 9.688181 -3.008873 10.034213 -0.000001 165 O 23.428357 12.698115 6.585969 -0.628868 39.460072 0.66237351E+03 0.16792445E+05 9.248837 8.066339 0.122342 2.063664 0.996612 29.425321 79.687908 0.655864 0.368367 -1.130558 0.051192 -0.048657 0.041798 0.082068 -0.028170 -0.051575 0.000682 -0.124955 0.170584 -0.112013 0.036713 0.075300 9.930505 7.193969 -0.593553 0.240981 15.883673 1.160311 6.713872 0.000001 166 O 24.318123 10.725061 7.141881 -0.667652 37.797932 0.58276954E+03 0.14311006E+05 8.877032 7.464118 0.345738 2.126214 0.997963 29.434577 78.490812 0.695731 0.358502 -1.138089 -0.043929 0.100287 0.010501 0.109989 -0.039516 -0.011163 -0.000423 -0.004458 0.130452 -0.061994 0.015934 0.046061 9.612061 12.982776 -4.636880 0.951799 9.935567 -0.871463 5.917839 -0.000003 167 O 23.316119 8.008871 6.971939 -0.719370 50.984386 0.79841967E+03 0.21300648E+05 11.102056 8.934580 -0.274273 1.903878 0.996346 31.933009 89.968384 0.612345 0.374928 -1.120747 -0.057999 0.042408 -0.000367 0.071850 -0.025573 -0.001495 0.013017 0.085602 0.194959 -0.083349 0.016881 0.066468 12.652639 17.262840 -2.532049 2.127563 11.302369 -3.679856 9.392709 -0.000001 168 O 21.403201 7.215329 6.198559 -0.678676 43.683069 0.72929138E+03 0.18973428E+05 9.956949 8.482558 0.020488 2.012805 0.995710 30.759300 84.884055 0.636323 0.369985 -1.127283 0.026730 0.016068 -0.006481 0.031854 0.070677 -0.033747 0.035297 -0.027336 0.157680 -0.112529 0.044368 0.068161 10.871834 10.565894 2.141346 1.808406 13.370082 -1.905767 8.679526 -0.000000 169 O 11.264418 10.219556 7.650266 -0.631350 37.407068 0.56819574E+03 0.13889557E+05 8.920202 7.421342 0.226020 2.100909 0.997115 28.967048 77.513719 0.689315 0.363495 -1.132160 0.063009 0.060798 0.027598 0.091805 -0.002676 -0.062931 0.020190 -0.065237 -0.104609 -0.090060 0.028662 0.061398 9.801498 8.414320 3.751278 -1.402379 12.184590 -3.573026 8.805584 -0.000003 170 O 12.775557 11.822482 7.464482 -0.703555 42.590578 0.67034066E+03 0.17062844E+05 9.682001 8.052205 0.246225 2.078296 0.998221 30.608444 83.338194 0.663414 0.362715 -1.133770 -0.115702 -0.033523 0.045075 0.128617 0.010595 -0.033300 0.058068 0.018702 -0.146586 -0.092403 0.037992 0.054411 10.571001 14.148469 4.508781 1.549945 9.510792 1.782551 8.053743 0.000001 171 O 13.291199 13.742250 5.371893 -0.684795 41.913103 0.68523748E+03 0.17532159E+05 9.583003 8.173934 0.167189 2.061643 0.997003 30.358541 82.778907 0.654726 0.365639 -1.131882 -0.069712 0.053332 -0.076733 0.116585 -0.045345 0.001775 0.024106 0.056025 0.062697 -0.069140 0.021631 0.047509 10.246365 14.828360 0.433130 3.742536 7.311498 0.705762 8.599235 0.000001 172 O 3.819328 0.120975 3.781928 -0.625984 34.899074 0.57125741E+03 0.13987075E+05 8.490658 7.460172 0.289941 2.123697 0.996679 28.934481 77.560070 0.684721 0.365340 -1.130412 0.064262 0.030513 0.086526 0.112015 -0.044375 -0.010798 -0.001335 -0.035165 0.119099 -0.068450 0.026184 0.042266 8.827881 6.760989 -0.676899 1.380159 9.688324 -3.008919 10.034329 -0.000001 173 O 15.295205 8.904668 0.614959 -0.628865 39.459884 0.66237090E+03 0.16792363E+05 9.248816 8.066337 0.122310 2.063657 0.996612 29.425229 79.687640 0.655862 0.368369 -1.130557 0.051187 0.048655 -0.041799 0.082064 0.028127 0.051531 0.000678 -0.124965 0.170589 -0.111979 0.036713 0.075266 9.930467 7.193967 0.593554 -0.240985 15.883571 1.160319 6.713863 0.000002 174 O 16.184972 10.877723 0.059048 -0.667655 37.797425 0.58276087E+03 0.14310728E+05 8.876915 7.464035 0.345710 2.126202 0.997963 29.434559 78.490368 0.695739 0.358499 -1.138092 -0.043931 -0.100285 -0.010501 0.109987 0.039472 0.011121 -0.000425 -0.004453 0.130463 -0.061947 0.015905 0.046043 9.611922 12.982586 4.636795 -0.951776 9.935403 -0.871445 5.917776 -0.000003 175 O 15.182968 13.593913 0.228990 -0.719373 50.982946 0.79839537E+03 0.21299776E+05 11.101702 8.934349 -0.274265 1.903879 0.996346 31.932822 89.966530 0.612365 0.374920 -1.120756 -0.058001 -0.042408 0.000365 0.071852 0.025524 0.001444 0.013025 0.085605 0.194959 -0.083329 0.016867 0.066461 12.652184 17.262143 2.531915 -2.127449 11.301965 -3.679713 9.392445 -0.000001 176 O 5.136898 -0.014402 1.002369 -0.678681 43.680313 0.72923602E+03 0.18971517E+05 9.956232 8.482001 0.020448 2.012788 0.995710 30.759090 84.880804 0.636374 0.369964 -1.127305 0.026730 -0.016065 0.006483 0.031853 -0.070729 0.033699 0.035301 -0.027331 0.157684 -0.112558 0.044400 0.068158 10.870998 10.565054 -2.141248 -1.808202 13.369048 -1.905528 8.678893 -0.000001 177 O 17.201618 7.650263 11.383228 -0.631354 37.404698 0.56815404E+03 0.13888245E+05 8.919669 7.420939 0.225976 2.100895 0.997114 28.966909 77.511834 0.689353 0.363482 -1.132173 -0.063008 0.027599 -0.060795 0.091803 0.062889 -0.002680 -0.020171 0.019694 0.150147 -0.090014 0.028642 0.061372 9.800878 8.413809 1.402288 3.750975 8.805059 3.572773 12.183766 -0.000003 178 O 15.690478 7.464480 9.780301 -0.703558 42.590347 0.67033612E+03 0.17062696E+05 9.681965 8.052178 0.246261 2.078310 0.998221 30.608320 83.337724 0.663416 0.362715 -1.133770 0.115697 0.045076 0.033525 0.128614 0.033254 0.010590 -0.058044 0.082637 0.045201 -0.092358 0.037989 0.054369 10.570958 14.148452 -1.549969 4.508722 8.053728 -1.782551 9.510694 0.000000 179 O 15.174835 5.371890 7.860534 -0.684786 41.910194 0.68517709E+03 0.17530188E+05 9.582453 8.173478 0.167295 2.061683 0.997004 30.357880 82.775493 0.654757 0.365630 -1.131891 0.069714 -0.076733 -0.053331 0.116586 -0.001830 -0.045352 -0.024078 -0.003328 -0.115396 -0.069147 0.021677 0.047470 10.245771 14.827475 -3.742342 0.433097 8.598779 -0.705716 7.311058 0.000001 180 O 16.513551 3.781926 7.079953 -0.625990 34.899127 0.57125950E+03 0.13987136E+05 8.490650 7.460177 0.289879 2.123674 0.996678 28.934618 77.560411 0.684723 0.365339 -1.130413 -0.064259 0.086529 -0.030514 0.112016 0.010751 -0.044385 0.001361 -0.077134 -0.006802 -0.068455 0.026220 0.042235 8.827864 6.760988 -1.380138 -0.676888 10.034297 3.008895 9.688308 -0.000001 181 O 13.170827 0.614956 12.698117 -0.628862 39.461588 0.66240691E+03 0.16793565E+05 9.249267 8.066710 0.122379 2.063680 0.996612 29.425346 79.689584 0.655826 0.368383 -1.130542 -0.051188 -0.041800 -0.048655 0.082065 -0.051567 0.028124 -0.000655 -0.147780 0.102147 -0.112000 0.036721 0.075279 9.930970 7.194326 0.241004 0.593611 6.714175 -1.160400 15.884410 0.000002 182 O 12.281059 0.059045 10.725063 -0.667657 37.797991 0.58277141E+03 0.14311061E+05 8.877038 7.464128 0.345671 2.126192 0.997963 29.434652 78.490990 0.695731 0.358502 -1.138090 0.043925 -0.010499 0.100293 0.109993 -0.011155 0.039478 0.000439 -0.067463 -0.058549 -0.061960 0.015904 0.046056 9.612065 12.982772 0.951787 4.636886 5.917845 0.871462 9.935579 -0.000003 183 O 13.283063 0.228987 8.008873 -0.719372 50.983222 0.79840052E+03 0.21299961E+05 11.101773 8.934394 -0.274288 1.903873 0.996346 31.932884 89.966989 0.612361 0.374922 -1.120754 0.057999 0.000367 0.042411 0.071852 -0.001502 0.025522 -0.012991 -0.054672 -0.225880 -0.083318 0.016859 0.066460 12.652282 17.262256 2.127482 2.531995 9.392519 3.679758 11.302072 -0.000001 184 O 15.195980 1.002367 7.215330 -0.678680 43.679499 0.72921991E+03 0.18970988E+05 9.956088 8.481885 0.020498 2.012806 0.995710 30.758940 84.880073 0.636381 0.369962 -1.127307 -0.026732 0.006481 0.016068 0.031856 -0.033752 -0.070730 -0.035269 -0.092510 -0.037844 -0.112570 0.044427 0.068143 10.870831 10.564896 1.808151 -2.141254 8.678729 1.905457 13.368869 -0.000001 185 O 17.201619 13.952516 10.219558 -0.631360 37.406862 0.56819359E+03 0.13889485E+05 8.920125 7.421295 0.225946 2.100880 0.997114 28.967332 77.514320 0.689322 0.363492 -1.132163 -0.063009 -0.027602 0.060797 0.091805 -0.062940 0.002638 -0.020175 0.019685 0.150148 -0.090069 0.028704 0.061365 9.801395 8.414245 -1.402353 -3.751208 8.805518 3.572975 12.184423 -0.000003 186 O 15.690480 14.138300 11.822484 -0.703555 42.590653 0.67034279E+03 0.17062920E+05 9.682035 8.052239 0.246254 2.078306 0.998221 30.608467 83.338437 0.663410 0.362717 -1.133768 0.115703 -0.045074 -0.033524 0.128618 -0.033304 -0.010643 -0.058044 0.082643 0.045218 -0.092396 0.038034 0.054362 10.571032 14.148530 1.549947 -4.508768 8.053773 -1.782550 9.510791 0.000001 187 O 23.307986 1.829032 13.742252 -0.684788 41.911653 0.68520713E+03 0.17531162E+05 9.582724 8.173704 0.167288 2.061680 0.997004 30.358055 82.776646 0.654742 0.365634 -1.131887 0.069714 0.076733 0.053331 0.116585 0.001777 0.045299 -0.024081 -0.003333 -0.115380 -0.069093 0.021631 0.047462 10.246061 14.827894 3.742438 -0.433112 8.599011 -0.705742 7.311278 0.000001 188 O 16.513549 3.419001 0.120976 -0.625982 34.898751 0.57125124E+03 0.13986881E+05 8.490590 7.460122 0.289910 2.123688 0.996678 28.934352 77.559498 0.684725 0.365339 -1.130414 -0.064257 -0.086528 0.030514 0.112014 -0.010794 0.044334 0.001361 -0.077138 -0.006793 -0.068416 0.026166 0.042250 8.827804 6.760937 1.380143 0.676895 10.034240 3.008880 9.688235 -0.000001 189 O 21.303977 6.585967 8.904668 -0.628864 39.460679 0.66238638E+03 0.16792870E+05 9.248991 8.066469 0.122322 2.063662 0.996611 29.425341 79.688459 0.655852 0.368372 -1.130553 -0.051189 0.041801 0.048657 0.082068 0.051524 -0.028172 -0.000653 -0.147770 0.102144 -0.111989 0.036733 0.075257 9.930678 7.194095 -0.240984 -0.593612 6.713974 -1.160355 15.883964 0.000001 190 O 20.414212 7.141878 10.877723 -0.667659 37.798832 0.58278669E+03 0.14311540E+05 8.877190 7.464247 0.345673 2.126188 0.997963 29.434906 78.492124 0.695722 0.358504 -1.138087 0.043929 0.010502 -0.100287 0.109989 0.011121 -0.039515 0.000448 -0.067459 -0.058549 -0.061993 0.015954 0.046040 9.612236 12.982997 -0.951799 -4.636993 5.917930 0.871478 9.935781 -0.000003 191 O 21.416216 6.971935 13.593913 -0.719372 50.982642 0.79838992E+03 0.21299590E+05 11.101638 8.934295 -0.274273 1.903878 0.996346 31.932797 89.966307 0.612369 0.374918 -1.120758 0.058002 -0.000367 -0.042410 0.071854 0.001444 -0.025581 -0.012988 -0.054669 -0.225885 -0.083351 0.016900 0.066451 12.652111 17.262051 -2.127470 -2.531932 9.392375 3.679680 11.301907 -0.000001 192 O 15.195979 6.198559 -0.014402 -0.678679 43.680415 0.72923853E+03 0.18971610E+05 9.956271 8.482033 0.020441 2.012789 0.995711 30.759068 84.880978 0.636370 0.369966 -1.127303 -0.026728 -0.006485 -0.016072 0.031855 0.033698 0.070676 -0.035274 -0.092499 -0.037834 -0.112498 0.044362 0.068136 10.871039 10.565129 -1.808227 2.141246 8.678896 1.905515 13.369091 -0.000001 193 O 5.001888 3.018629 0.449338 -0.631361 37.406523 0.56818728E+03 0.13889288E+05 8.920061 7.421241 0.226017 2.100907 0.997114 28.967195 77.513756 0.689326 0.363490 -1.132164 -0.063005 0.060794 0.027603 0.091801 0.002636 0.062891 0.020198 -0.065240 -0.104616 -0.090029 0.028661 0.061368 9.801325 8.414177 -3.751184 1.402345 12.184345 -3.572948 8.805455 -0.000003 194 O 3.490749 4.621556 0.263554 -0.703570 42.591088 0.67035089E+03 0.17063166E+05 9.682055 8.052246 0.246167 2.078275 0.998221 30.608757 83.339148 0.663415 0.362713 -1.133772 0.115695 -0.033522 0.045076 0.128611 -0.010639 0.033248 0.058073 0.018722 -0.146564 -0.092393 0.038040 0.054352 10.571060 14.148581 -4.508791 -1.549961 9.510805 1.782559 8.053793 0.000001 195 O 11.108262 6.541320 12.572821 -0.684788 41.911268 0.68519958E+03 0.17530915E+05 9.582644 8.173642 0.167273 2.061675 0.997004 30.358038 82.776403 0.654746 0.365633 -1.131889 0.069715 0.053329 -0.076733 0.116585 0.045299 -0.001824 0.024106 0.056029 0.062696 -0.069116 0.021673 0.047443 10.245970 14.827750 -0.433108 -3.742401 7.311214 0.705732 8.598944 0.000001 196 O 12.446978 7.321901 10.982856 -0.625985 34.898579 0.57124759E+03 0.13986766E+05 8.490546 7.460083 0.289870 2.123674 0.996678 28.934413 77.559537 0.684729 0.365338 -1.130415 -0.064257 0.030513 0.086528 0.112014 0.044338 0.010750 -0.001336 -0.035169 0.119109 -0.068411 0.026170 0.042241 8.827760 6.760889 0.676884 -1.380113 9.688179 -3.008873 10.034211 -0.000001 197 O 9.104251 1.703738 7.815888 -0.628868 39.460078 0.66237365E+03 0.16792450E+05 9.248838 8.066340 0.122341 2.063664 0.996612 29.425324 79.687919 0.655864 0.368367 -1.130558 -0.051192 0.048657 -0.041798 0.082068 -0.028170 -0.051575 0.000682 -0.124955 0.170584 -0.112013 0.036713 0.075300 9.930506 7.193970 -0.593553 0.240981 15.883674 1.160311 6.713873 0.000002 198 O 8.214485 3.676792 7.259976 -0.667652 37.797915 0.58276921E+03 0.14310996E+05 8.877028 7.464116 0.345739 2.126214 0.997963 29.434573 78.490790 0.695731 0.358502 -1.138089 0.043929 -0.100287 -0.010501 0.109989 -0.039516 -0.011163 -0.000423 -0.004458 0.130452 -0.061995 0.015934 0.046061 9.612057 12.982770 -4.636878 0.951799 9.935563 -0.871463 5.917837 -0.000003 199 O 9.216489 6.392982 7.429918 -0.719370 50.984379 0.79841955E+03 0.21300644E+05 11.102055 8.934579 -0.274273 1.903878 0.996346 31.933007 89.968375 0.612345 0.374928 -1.120747 0.057999 -0.042408 0.000367 0.071850 -0.025573 -0.001495 0.013017 0.085602 0.194960 -0.083349 0.016881 0.066468 12.652638 17.262838 -2.532049 2.127563 11.302368 -3.679855 9.392708 -0.000001 200 O 11.129407 7.186524 8.203298 -0.678676 43.683070 0.72929140E+03 0.18973429E+05 9.956950 8.482559 0.020488 2.012805 0.995710 30.759300 84.884056 0.636323 0.369985 -1.127283 -0.026730 -0.016068 0.006481 0.031854 0.070677 -0.033747 0.035297 -0.027336 0.157680 -0.112529 0.044368 0.068161 10.871834 10.565894 2.141347 1.808406 13.370083 -1.905768 8.679526 -0.000001 201 O 21.268190 4.182297 6.751591 -0.631350 37.407049 0.56819541E+03 0.13889547E+05 8.920199 7.421339 0.226020 2.100909 0.997115 28.967043 77.513695 0.689315 0.363495 -1.132160 -0.063009 -0.060798 -0.027598 0.091805 -0.002676 -0.062932 0.020190 -0.065237 -0.104609 -0.090060 0.028662 0.061398 9.801494 8.414317 3.751276 -1.402378 12.184585 -3.573025 8.805580 -0.000003 202 O 19.757051 2.579371 6.937375 -0.703555 42.590576 0.67034065E+03 0.17062844E+05 9.682001 8.052205 0.246225 2.078296 0.998221 30.608444 83.338194 0.663414 0.362715 -1.133770 0.115702 0.033523 -0.045075 0.128617 0.010595 -0.033300 0.058068 0.018702 -0.146586 -0.092403 0.037992 0.054411 10.571001 14.148469 4.508781 1.549945 9.510791 1.782551 8.053743 0.000001 203 O 19.241409 0.659603 9.029964 -0.684795 41.913104 0.68523749E+03 0.17532159E+05 9.583003 8.173934 0.167189 2.061643 0.997003 30.358540 82.778906 0.654726 0.365639 -1.131882 0.069712 -0.053332 0.076733 0.116585 -0.045345 0.001775 0.024106 0.056025 0.062697 -0.069140 0.021631 0.047509 10.246365 14.828361 0.433130 3.742536 7.311499 0.705762 8.599236 0.000001 204 O 28.713280 14.280878 10.619929 -0.625984 34.899086 0.57125766E+03 0.13987083E+05 8.490660 7.460174 0.289941 2.123697 0.996679 28.934485 77.560088 0.684721 0.365340 -1.130412 -0.064261 -0.030513 -0.086526 0.112015 -0.044375 -0.010798 -0.001335 -0.035165 0.119099 -0.068450 0.026184 0.042266 8.827883 6.760991 -0.676899 1.380160 9.688326 -3.008920 10.034332 -0.000001 205 O 17.237403 5.497185 13.786898 -0.628865 39.459878 0.66237079E+03 0.16792360E+05 9.248815 8.066336 0.122310 2.063657 0.996612 29.425228 79.687632 0.655863 0.368369 -1.130557 -0.051187 -0.048655 0.041799 0.082064 0.028127 0.051531 0.000678 -0.124965 0.170589 -0.111979 0.036713 0.075266 9.930466 7.193966 0.593553 -0.240985 15.883568 1.160319 6.713863 0.000001 206 O 16.347636 3.524130 14.342809 -0.667655 37.797412 0.58276065E+03 0.14310721E+05 8.876912 7.464033 0.345711 2.126202 0.997963 29.434556 78.490353 0.695739 0.358499 -1.138092 0.043931 0.100285 0.010501 0.109987 0.039472 0.011121 -0.000425 -0.004453 0.130463 -0.061947 0.015904 0.046043 9.611919 12.982582 4.636793 -0.951776 9.935400 -0.871445 5.917775 -0.000003 207 O 17.349640 0.807940 14.172867 -0.719373 50.982944 0.79839533E+03 0.21299775E+05 11.101702 8.934348 -0.274265 1.903879 0.996346 31.932821 89.966528 0.612365 0.374920 -1.120756 0.058001 0.042408 -0.000365 0.071852 0.025524 0.001444 0.013025 0.085605 0.194959 -0.083329 0.016867 0.066461 12.652184 17.262143 2.531915 -2.127449 11.301965 -3.679713 9.392445 -0.000001 208 O 19.262556 0.014398 13.399488 -0.678681 43.680319 0.72923615E+03 0.18971521E+05 9.956233 8.482002 0.020448 2.012788 0.995710 30.759091 84.880812 0.636374 0.369964 -1.127305 -0.026730 0.016065 -0.006483 0.031853 -0.070729 0.033699 0.035301 -0.027331 0.157684 -0.112558 0.044400 0.068158 10.871000 10.565055 -2.141248 -1.808203 13.369050 -1.905529 8.678894 -0.000001 ****************************************************** Auxiliary information for the entire system The total spin magnetic moment of the unit cell is -0.000001 The total net atomic charge of the unit cell is -0.000006 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= 94840 The rms potential error without charges in kcal/mol is= 7.73886 The rms potential error with partial charges in kcal/mol is= 1.55277 The RRMSE value at monopole order= 0.20065 The rms potential error with partial charges and cloud penetration in kcal/mol is= 1.53902 The RRMSE value at monopole order with cloud penetration is= 0.19887 The rms potential error with partial charges and atomic dipoles in kcal/mol is= 1.62195 The RRMSE value at dipole order= 0.20959 The rms potential error with partial charges, atomic dipoles and cloud penetration in kcal/mol is= 1.61001 The RRMSE value at dipole order with cloud penetration= 0.20804 ****************************************************** 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.