192 jmolscript: load "" {1 1 1} spacegroup "x,y,z" unitcell [{ 10.561700 0.000000 0.000000 }, { 0.000000 17.691000 0.000000 }, { 0.000000 -8.845500 15.320855 }] Zn 9.319222 8.932009 1.087781 0.726465 Zn 5.798690 5.321541 7.041618 0.726971 Zn 2.278053 12.282950 7.191456 0.726850 Zn 4.038372 -0.086509 14.233074 0.726465 Zn 0.517840 3.523959 8.279237 0.726971 Zn 7.558903 -3.437450 8.129399 0.726850 H 10.287096 0.168064 14.076802 0.263192 H 1.768029 2.154764 10.605096 0.102748 H 8.974276 4.137040 10.376815 0.092972 H 8.444079 3.630193 12.541652 0.135311 H 1.331830 1.591305 12.785253 0.131353 H 10.464532 2.306022 14.914852 0.130708 H 8.941535 2.505930 14.608435 0.113410 H 8.165250 0.845630 12.955315 0.087839 H 7.813546 -1.385205 12.339417 0.068900 H 9.341824 -3.031353 13.039580 0.157858 H 8.369091 -2.566964 14.177919 0.156489 H 9.846673 -2.043311 14.147278 0.139885 H -0.029573 -0.695256 12.002358 0.137838 H 9.377733 -0.144182 11.093831 0.148660 H 9.727326 -1.672684 11.078510 0.159854 H 6.766564 3.261336 8.136906 0.265360 H 8.809197 -0.738599 8.152227 0.104424 H 5.453745 -1.927434 6.549666 0.090763 H 4.923548 0.200793 5.906190 0.135639 H 8.372999 1.431202 7.550117 0.130443 H 6.944001 2.918130 5.866355 0.128985 H 5.421004 2.552811 5.846438 0.112432 H 4.644719 1.951317 8.110861 0.089066 H 4.293014 2.533351 10.350770 0.070949 H 5.821292 3.962784 11.426294 0.156339 H 4.848560 4.716421 10.454951 0.156791 H 6.326141 4.428057 10.016775 0.140633 H 7.011596 1.896475 9.921786 0.136410 H 5.857202 0.834131 9.898804 0.149822 H 6.206794 1.585114 11.230187 0.158442 H 3.245927 -3.429400 8.428002 0.261400 H 5.288560 -1.416165 11.884387 0.103556 H 1.933108 -2.209606 13.715229 0.092567 H 1.402911 -3.830986 12.193868 0.135312 H 4.852362 -3.022507 10.306339 0.131920 H 3.423364 -5.224152 9.860502 0.131503 H 1.900367 -5.058741 10.186836 0.114282 H 1.124082 -2.796947 9.575534 0.087009 H 0.772377 -1.148146 7.951524 0.070394 H 2.300655 -0.931431 6.175837 0.157841 H 1.327923 -2.149456 6.008839 0.156141 H 2.805504 -2.384747 6.477657 0.137524 H 3.490959 -1.201219 8.717566 0.138461 H 2.336565 -0.689949 9.649074 0.151925 H 2.686157 0.087570 8.333013 0.160346 H 5.006246 8.677436 1.244053 0.263192 H 7.048879 6.690736 4.715759 0.102748 H 3.693426 4.708460 4.944040 0.092972 H 3.163229 5.215307 2.779203 0.135311 H 6.612680 7.254195 2.535602 0.131353 H 5.183682 6.539478 0.406003 0.130708 H 3.660685 6.339570 0.712420 0.113410 H 2.884400 7.999870 2.365540 0.087839 H 2.532696 10.230705 2.981438 0.068900 H 4.060974 11.876853 2.281275 0.157858 H 3.088241 11.412464 1.142936 0.156489 H 4.565823 10.888811 1.173577 0.139885 H 5.251277 9.540756 3.318497 0.137838 H 4.096883 8.989682 4.227024 0.148660 H 4.446476 10.518184 4.242345 0.159854 H 1.485714 5.584164 7.183949 0.265360 H 3.528347 9.584099 7.168628 0.104424 H 0.172895 10.772934 8.771189 0.090763 H 10.204398 8.644707 9.414665 0.135639 H 3.092149 7.414298 7.770738 0.130443 H 1.663151 5.927370 9.454500 0.128986 H 0.140154 6.292689 9.474417 0.112432 H 9.925569 6.894183 7.209994 0.089066 H 9.573864 6.312149 4.970085 0.070949 H 0.540442 4.882716 3.894561 0.156339 H 10.129410 4.129079 4.865904 0.156792 H 1.045291 4.417443 5.304080 0.140633 H 1.730746 6.949025 5.399069 0.136410 H 0.576352 8.011369 5.422051 0.149822 H 0.925944 7.260386 4.090668 0.158442 H 8.526777 12.274900 6.892853 0.261400 H 0.007710 10.261665 3.436468 0.103556 H 7.213958 11.055106 1.605626 0.092567 H 6.683761 12.676486 3.126987 0.135312 H 10.133212 11.868007 5.014516 0.131920 H 8.704214 14.069652 5.460353 0.131503 H 7.181217 13.904241 5.134019 0.114282 H 6.404932 11.642447 5.745321 0.087008 H 6.053227 9.993646 7.369331 0.070394 H 7.581505 9.776931 9.145018 0.157841 H 6.608773 10.994957 9.312016 0.156141 H 8.086354 11.230247 8.843198 0.137524 H 8.771809 10.046719 6.603289 0.138461 H 7.617415 9.535449 5.671781 0.151925 H 7.967007 8.757930 6.987842 0.160346 C 0.976957 2.444896 10.997310 0.100999 C 9.562563 3.609849 10.867082 0.089529 C 9.234094 3.309102 12.169355 -0.206105 C 10.090648 2.523621 12.923141 0.162406 C 0.718196 2.101691 12.308775 -0.178990 C 9.748449 2.055694 14.312743 -0.136888 C 7.149215 -0.085801 14.491997 0.600624 C 8.383877 0.127464 13.583623 -0.072087 C 8.660594 -1.130455 12.762272 0.106316 C 9.093624 -2.298945 13.609515 -0.507098 C 9.669236 -0.888088 11.628529 -0.507218 C 8.018126 -0.543998 7.704858 0.102670 C 6.042032 -1.239255 6.761093 0.089333 C 5.713563 0.038920 6.370412 -0.205072 C 6.570117 1.084458 6.673764 0.162082 C 7.759364 0.763367 7.346350 -0.180706 C 6.227918 2.521852 6.384200 -0.131075 C 3.628683 3.747838 8.149163 0.601785 C 4.863346 2.854531 8.418657 -0.073354 C 5.140063 2.772180 9.918722 0.102507 C 5.573092 4.090159 10.507042 -0.506387 C 6.148705 1.669146 10.275697 -0.504275 C 4.497489 -1.900898 11.939542 0.102177 C 2.521395 -2.370594 13.013534 0.085058 C 2.192926 -3.348022 12.101943 -0.203657 C 3.049480 -3.608079 11.044804 0.159281 C 4.238727 -2.865057 10.986585 -0.179835 C 2.707281 -4.577546 9.944767 -0.137483 C 0.108046 -3.662037 8.000550 0.599136 C 1.342709 -2.981995 8.639430 -0.071482 C 1.619425 -1.641725 7.960716 0.103352 C 2.052455 -1.791214 6.525152 -0.504201 C 2.628068 -0.781058 8.737484 -0.511382 C 6.257807 6.400604 4.323545 0.100999 C 4.281713 5.235651 4.453773 0.089530 C 3.953244 5.536398 3.151500 -0.206105 C 4.809798 6.321879 2.397714 0.162406 C 5.999046 6.743809 3.012080 -0.178990 C 4.467599 6.789806 1.008112 -0.136888 C 1.868365 8.931301 0.828858 0.600624 C 3.103027 8.718036 1.737232 -0.072087 C 3.379744 9.975955 2.558583 0.106316 C 3.812774 11.144445 1.711340 -0.507099 C 4.388386 9.733588 3.692326 -0.507218 C 2.737276 9.389498 7.615997 0.102670 C 0.761182 10.084755 8.559762 0.089333 C 0.432713 8.806580 8.950443 -0.205072 C 1.289267 7.761042 8.647091 0.162082 C 2.478514 8.082133 7.974505 -0.180706 C 0.947068 6.323648 8.936655 -0.131075 C 8.909533 5.097662 7.171692 0.601785 C 10.144196 5.990969 6.902198 -0.073354 C 10.420913 6.073320 5.402133 0.102507 C 0.292242 4.755341 4.813813 -0.506387 C 0.867855 7.176354 5.045158 -0.504275 C 9.778339 10.746398 3.381313 0.102177 C 7.802245 11.216094 2.307321 0.085058 C 7.473776 12.193522 3.218912 -0.203657 C 8.330330 12.453579 4.276051 0.159281 C 9.519577 11.710557 4.334270 -0.179835 C 7.988131 13.423046 5.376088 -0.137483 C 5.388896 12.507537 7.320305 0.599136 C 6.623559 11.827495 6.681425 -0.071482 C 6.900275 10.487225 7.360139 0.103352 C 7.333305 10.636714 8.795703 -0.504201 C 7.908918 9.626558 6.583371 -0.511382 N 0.115123 3.187034 10.266505 -0.209506 N 9.539327 0.580353 14.391339 -0.332818 N 7.156291 -1.547963 7.427551 -0.210062 N 6.018796 3.327589 7.622585 -0.337773 N 3.635654 -1.639071 12.947655 -0.206184 N 2.498159 -3.907942 8.627786 -0.330267 N 5.395973 5.658466 5.054350 -0.209506 N 4.258477 8.265147 0.929516 -0.332818 N 1.875441 10.393463 7.893304 -0.210062 N 0.737946 5.517911 7.698270 -0.337773 N 8.916504 10.484571 2.373200 -0.206184 N 7.779009 12.753442 6.693069 -0.330267 Cl 9.306759 6.891618 2.008104 -0.544190 Cl 5.786227 7.138761 8.348487 -0.544463 Cl 2.265590 12.506122 4.964263 -0.544926 Cl 4.025909 1.953882 13.312751 -0.544190 Cl 0.505377 1.706739 6.972368 -0.544463 Cl 7.546440 -3.660622 10.356592 -0.544927 O 7.266450 8.875575 0.404777 -0.552714 O 6.088820 -0.343736 13.881920 -0.565940 O 3.745918 4.758260 7.431994 -0.553091 O 2.568289 3.348464 8.677579 -0.565881 O 0.225281 12.902665 7.484084 -0.552119 O 9.609352 -3.004728 8.082211 -0.564005 O 1.985600 -0.030075 14.916078 -0.552714 O 0.807970 9.189236 1.438935 -0.565940 O 9.026768 4.087240 7.888861 -0.553091 O 7.849139 5.497036 6.643276 -0.565881 O 5.506131 -4.057165 7.836771 -0.552119 O 4.328502 11.850228 7.238644 -0.564005 The following XYZ coordinates are in angstroms. Other properties are in atomic units. The sperically averaged electron density of each atom fit to a function of the form exp(a - br) eigen_1, eigen_2 and eigen_3 are the three eigenvalues of traceless quadrupole moment tensor atom number atomic symbol X Y Z net charge C6 coefficient C8 coefficient C10 coefficient fluctuating dipole atomic polarizability isotropic forcefield polarizability a b squared Pearson coefficient wp_QDO m_QDO q_QDO dipole_x dipole_y dipole_z dipole Qxy Qxz Qyz Q(x^2-y^2) Q(3z^2 - R^2) eigen_1 eigen_2 eigen_3 static polarizability alpha(xx) alpha(xy) alpha(xz) alpha(yy) alpha(yz) alpha(zz) atomic spin moment 1 Zn 9.319222 8.932009 1.087781 0.726465 103.650985 0.21992609E+04 0.72979574E+05 18.387336 15.669146 0.333826 1.936249 0.996473 50.115291 140.408480 0.440896 0.418644 -1.129228 0.015160 -0.041709 0.025725 0.051296 0.015756 0.043900 -0.004173 0.090375 -0.136940 -0.062718 -0.022001 0.084719 22.224903 24.020958 0.227278 1.748124 14.541779 0.469874 28.111973 -0.000001 2 Zn 5.798690 5.321541 7.041618 0.726971 103.660301 0.21994814E+04 0.72995704E+05 18.398481 15.678243 0.329805 1.934811 0.996331 50.132768 140.509847 0.440376 0.419089 -1.128821 0.015302 0.043694 0.023962 0.052129 0.030703 -0.035628 0.011583 0.103034 -0.095174 -0.062255 -0.022242 0.084497 22.239928 24.031350 1.399215 -1.070527 24.332524 -6.121583 18.355909 -0.000001 3 Zn 2.278053 12.282950 7.191456 0.726850 103.726712 0.22012225E+04 0.73076321E+05 18.422502 15.697947 0.320785 1.932067 0.996517 50.157446 140.653654 0.439481 0.419810 -1.128206 0.015388 -0.001569 -0.050507 0.052822 -0.045891 -0.007538 -0.008661 0.110487 -0.073027 -0.062648 -0.021501 0.084149 22.268379 24.052670 -1.626285 -0.675399 25.189208 5.653156 17.563260 -0.000001 4 Zn 4.038372 -0.086509 14.233074 0.726465 103.650986 0.21992609E+04 0.72979575E+05 18.387336 15.669146 0.333826 1.936249 0.996473 50.115291 140.408480 0.440896 0.418644 -1.129228 0.015160 0.041709 -0.025725 0.051296 -0.015756 -0.043900 -0.004173 0.090375 -0.136940 -0.062718 -0.022001 0.084719 22.224903 24.020958 -0.227278 -1.748123 14.541779 0.469874 28.111973 -0.000001 5 Zn 0.517840 3.523959 8.279237 0.726971 103.660304 0.21994815E+04 0.72995707E+05 18.398481 15.678243 0.329805 1.934811 0.996331 50.132769 140.509849 0.440376 0.419089 -1.128821 0.015302 -0.043694 -0.023962 0.052129 -0.030703 0.035628 0.011583 0.103034 -0.095175 -0.062255 -0.022242 0.084497 22.239928 24.031350 -1.399215 1.070527 24.332524 -6.121583 18.355909 -0.000001 6 Zn 7.558903 -3.437450 8.129399 0.726850 103.726713 0.22012225E+04 0.73076322E+05 18.422501 15.697947 0.320785 1.932067 0.996517 50.157446 140.653653 0.439481 0.419810 -1.128206 0.015388 0.001569 0.050507 0.052822 0.045891 0.007538 -0.008661 0.110487 -0.073027 -0.062648 -0.021501 0.084149 22.268379 24.052670 1.626285 0.675400 25.189208 5.653155 17.563260 -0.000001 7 H 10.287096 0.168064 14.076802 0.263192 0.604734 0.42112328E+01 0.36493095E+02 1.352892 1.338225 -1.327816 2.318636 0.996498 3.210939 9.488500 0.443225 1.594704 -0.647484 0.025323 -0.015482 -0.016186 0.033807 0.000091 -0.002850 0.007723 -0.007753 -0.032802 -0.014018 0.002001 0.012017 1.380079 1.568015 -0.112989 -0.015973 1.289153 0.065292 1.283070 0.000001 8 H 1.768029 2.154764 10.605096 0.102748 1.047271 0.72649819E+01 0.70452973E+02 1.773023 1.625178 -1.185329 2.316299 0.995551 3.713884 10.740895 0.463279 1.363323 -0.689592 0.041576 -0.015951 -0.015372 0.047110 -0.013023 -0.001115 -0.000236 0.008673 -0.007174 -0.012600 -0.002355 0.014956 1.867183 2.350344 -0.193359 -0.529104 1.492189 -0.003706 1.759017 -0.000001 9 H 8.974276 4.137040 10.376815 0.092972 1.218304 0.86296203E+01 0.86253892E+02 1.876558 1.709086 -1.030714 2.380152 0.997537 3.616144 10.182029 0.482783 1.269309 -0.711078 -0.031807 0.024930 -0.019715 0.044965 -0.013431 -0.003385 -0.004792 0.006664 -0.006915 -0.015324 0.000328 0.014996 1.996426 2.046715 -0.369526 0.430761 1.872051 -0.564274 2.070512 -0.000001 10 H 8.444079 3.630193 12.541652 0.135311 1.065177 0.78537386E+01 0.75763203E+02 1.651606 1.587948 -0.832163 2.497673 0.999700 3.158073 8.402334 0.527347 1.204003 -0.729170 -0.030010 0.012216 0.013409 0.035066 -0.010586 -0.005553 -0.003843 0.008843 0.015631 -0.015961 0.005427 0.010534 1.654032 1.940128 -0.226576 -0.210165 1.426983 0.000428 1.594984 -0.000001 11 H 1.331830 1.591305 12.785253 0.131353 1.003321 0.72655974E+01 0.71046840E+02 1.768771 1.661609 -1.428580 2.208136 0.992923 3.882256 11.583989 0.439557 1.425009 -0.676376 0.022901 -0.017260 0.018730 0.034251 -0.009389 -0.004918 -0.003900 0.002307 0.018749 -0.014435 0.005846 0.008589 1.839045 1.960427 -0.314637 0.329869 1.643954 -0.384067 1.912754 -0.000000 12 H 10.464532 2.306022 14.914852 0.130708 1.160784 0.88287706E+01 0.88457822E+02 1.822531 1.734146 -0.796472 2.511543 0.998953 3.366289 9.388572 0.478594 1.277328 -0.712298 0.031534 0.010508 0.019849 0.038714 0.005639 0.009480 0.007987 -0.002445 -0.019761 -0.013617 -0.002159 0.015776 1.890328 2.014739 0.130146 0.506850 1.477730 0.099979 2.178516 -0.000000 13 H 8.941535 2.505930 14.608435 0.113410 1.148245 0.90633078E+01 0.91309505E+02 1.793561 1.744106 -0.860941 2.470870 0.997767 3.465653 9.659372 0.483044 1.258607 -0.715679 -0.029445 0.015378 0.006965 0.033941 -0.001811 -0.003268 0.001252 -0.003636 -0.035572 -0.012539 0.003747 0.008792 1.823134 2.010348 -0.228038 -0.317569 1.576117 0.095672 1.882935 -0.000001 14 H 8.165250 0.845630 12.955315 0.087839 1.044167 0.84237512E+01 0.84682317E+02 1.760935 1.739935 -1.223615 2.283959 0.993483 3.965742 11.638396 0.452092 1.347695 -0.692292 -0.008455 0.023719 -0.026162 0.036311 -0.002037 0.008827 0.002884 -0.003936 0.005285 -0.010643 0.001910 0.008733 1.792193 1.636533 -0.011869 0.095506 1.840191 -0.354694 1.899854 0.000000 15 H 7.813546 -1.385205 12.339417 0.068900 1.090702 0.85656714E+01 0.86142042E+02 1.786260 1.734039 -1.086109 2.339464 0.993835 3.942698 11.430474 0.462663 1.316398 -0.699017 -0.033665 -0.019379 -0.020794 0.044060 0.004137 0.005706 -0.005036 0.003232 -0.009471 -0.010498 0.003674 0.006823 1.834876 2.277709 0.168318 0.300980 1.493209 0.148426 1.733710 -0.000000 16 H 9.341824 -3.031353 13.039580 0.157858 1.121539 0.84142042E+01 0.83285354E+02 1.776533 1.690124 -0.907828 2.459776 0.999125 3.301960 9.149308 0.486066 1.273078 -0.712988 -0.000943 -0.005562 -0.011973 0.013236 -0.002256 -0.000542 -0.003844 -0.003508 0.001437 -0.004459 -0.000685 0.005144 1.806192 1.549710 -0.227576 -0.212226 1.978071 0.493082 1.890794 -0.000001 17 H 8.369091 -2.566964 14.177919 0.156489 1.188967 0.91869796E+01 0.93181857E+02 1.869217 1.783256 -1.016455 2.411351 0.998139 3.394965 9.598996 0.465223 1.298034 -0.707801 -0.016400 -0.002251 0.003892 0.017005 0.001045 -0.003369 -0.000851 0.007884 -0.023103 -0.008448 -0.000209 0.008658 1.910269 2.179953 0.184938 -0.568326 1.546282 -0.168304 2.004572 -0.000000 18 H 9.846673 -2.043311 14.147278 0.139885 1.117481 0.87325673E+01 0.88581768E+02 1.855891 1.783973 -1.233388 2.293117 0.995141 3.772799 11.122691 0.441812 1.366676 -0.689866 0.008462 0.009032 0.004015 0.013011 0.001841 0.003379 0.000269 -0.001632 -0.021772 -0.008292 0.002282 0.006010 1.892607 2.197785 0.185795 0.450525 1.570498 0.170311 1.909538 -0.000000 19 H -0.029573 -0.695256 12.002358 0.137838 0.912056 0.69268201E+01 0.66332495E+02 1.618287 1.587930 -1.004608 2.399660 0.997122 3.593189 10.303510 0.468548 1.365086 -0.689842 0.007474 -0.000233 0.010452 0.012851 0.004405 0.002551 -0.000543 0.011374 0.016575 -0.010074 0.002727 0.007346 1.640745 2.025673 0.118275 0.217369 1.376140 0.098248 1.520422 -0.000000 20 H 9.377733 -0.144182 11.093831 0.148660 0.857260 0.63661878E+01 0.59242030E+02 1.516376 1.494806 -0.750288 2.529879 0.999708 3.289013 9.070709 0.500074 1.316199 -0.701435 -0.012086 0.009099 -0.007115 0.016718 -0.004671 -0.000821 -0.004275 0.003779 -0.000343 -0.007291 0.001529 0.005762 1.521574 1.353213 -0.171047 0.111248 1.646571 -0.282910 1.564936 -0.000000 21 H 9.727326 -1.672684 11.078510 0.159854 0.925326 0.67265163E+01 0.64314219E+02 1.673688 1.594189 -1.175010 2.334086 0.996417 3.601905 10.517183 0.452135 1.416840 -0.679515 -0.005390 -0.013618 -0.007206 0.016323 0.000388 -0.004991 -0.000005 -0.003040 0.010610 -0.005942 -0.000233 0.006176 1.727871 1.429404 -0.106347 -0.117419 1.880305 0.535925 1.873904 -0.000001 22 H 6.766564 3.261336 8.136906 0.265360 0.602337 0.41949601E+01 0.36352780E+02 1.354611 1.339941 -1.351506 2.309508 0.996238 3.216842 9.536736 0.440374 1.604999 -0.645806 0.024181 -0.005995 0.021113 0.032656 -0.002619 0.001281 0.004772 0.014795 0.032946 -0.014297 0.002336 0.011960 1.381895 1.569979 0.042758 0.105733 1.229738 -0.030134 1.345970 0.000001 23 H 8.809197 -0.738599 8.152227 0.104424 1.044215 0.72393219E+01 0.70159453E+02 1.771479 1.623741 -1.190131 2.315258 0.995464 3.708981 10.731990 0.462755 1.365736 -0.689117 0.040568 -0.005260 0.021627 0.046273 0.005665 0.012185 -0.000078 0.008508 -0.009414 -0.012810 -0.002705 0.015515 1.865527 2.348401 -0.361302 0.431696 1.693769 -0.113658 1.554412 -0.000001 24 H 5.453745 -1.927434 6.549666 0.090763 1.218866 0.86310163E+01 0.86201628E+02 1.870397 1.704107 -1.008652 2.388690 0.997800 3.615476 10.149407 0.486059 1.261720 -0.712721 -0.032288 -0.030409 -0.012216 0.046005 0.003774 0.013340 0.002432 0.002988 -0.019533 -0.015360 0.000252 0.015108 1.989428 2.039596 0.554480 0.104025 2.499517 0.195079 1.429169 -0.000001 25 H 4.923548 0.200793 5.906190 0.135639 1.063128 0.78339489E+01 0.75517706E+02 1.648636 1.585218 -0.828002 2.499448 0.999709 3.156009 8.391290 0.528213 1.202898 -0.729404 -0.029970 0.005625 -0.016957 0.034891 0.000332 0.011967 -0.003422 -0.004222 -0.022831 -0.016210 0.005683 0.010526 1.651054 1.936304 -0.068446 0.300399 1.549969 -0.072705 1.466889 -0.000001 26 H 8.372999 1.431202 7.550117 0.130443 0.999261 0.72355443E+01 0.70738860E+02 1.770927 1.663676 -1.411816 2.215407 0.992998 3.884209 11.620383 0.436739 1.434490 -0.674691 0.023769 0.025399 0.005774 0.035262 0.000401 0.010454 -0.002724 -0.009090 -0.014567 -0.014282 0.005652 0.008630 1.841309 1.962944 0.443265 0.107674 2.180818 0.075632 1.380165 -0.000000 27 H 6.944001 2.918130 5.866355 0.128985 1.169430 0.89089059E+01 0.89459916E+02 1.831210 1.741694 -0.799659 2.508952 0.998875 3.378942 9.433453 0.477696 1.276881 -0.712382 0.032459 0.013219 -0.018989 0.039861 0.004649 -0.009802 0.000926 0.012635 0.026068 -0.013106 -0.002735 0.015841 1.899751 2.025263 0.377092 -0.369426 1.926326 -0.356358 1.747665 -0.000000 28 H 5.421004 2.552811 5.846438 0.112432 1.150851 0.90879283E+01 0.91617304E+02 1.796218 1.746429 -0.854192 2.472708 0.997867 3.469024 9.671109 0.482753 1.258544 -0.715706 -0.029529 -0.001411 -0.016587 0.033898 -0.002086 0.003206 0.007903 0.012822 0.011839 -0.012871 0.004065 0.008806 1.825898 2.014377 -0.161365 0.357596 1.725332 -0.180970 1.737986 -0.000001 29 H 4.644719 1.951317 8.110861 0.089066 1.045103 0.84397147E+01 0.84937278E+02 1.766352 1.745073 -1.239912 2.276719 0.993268 3.976783 11.701721 0.449785 1.353102 -0.691157 -0.007081 -0.034352 -0.007338 0.035834 0.009039 -0.002586 -0.001852 -0.000933 0.011000 -0.010910 0.001871 0.009040 1.797870 1.641582 0.089076 -0.037711 2.199719 0.152180 1.552307 0.000000 30 H 4.293014 2.533351 10.350770 0.070949 1.087841 0.85384142E+01 0.85800278E+02 1.783095 1.731270 -1.078780 2.342591 0.993923 3.935372 11.405063 0.463032 1.316387 -0.699013 -0.032840 -0.008382 0.027057 0.043368 0.002907 -0.006354 0.003991 0.000956 -0.017812 -0.010919 0.004047 0.006873 1.831489 2.272703 0.175676 -0.295076 1.542670 -0.177674 1.679094 -0.000000 31 H 5.821292 3.962784 11.426294 0.156339 1.125960 0.84540180E+01 0.83765338E+02 1.779997 1.693127 -0.901728 2.461681 0.999122 3.308798 9.168342 0.486136 1.271590 -0.713306 -0.001283 -0.007940 0.011511 0.014043 0.001208 0.002388 0.002490 -0.006112 -0.006624 -0.004601 -0.000938 0.005539 1.809830 1.552534 -0.070296 0.304500 1.488044 -0.209372 2.388913 -0.000001 32 H 4.848560 4.716421 10.454951 0.156791 1.188976 0.91876574E+01 0.93209795E+02 1.871279 1.784986 -1.017456 2.410732 0.998005 3.393425 9.602234 0.464252 1.300457 -0.707325 -0.016680 0.004069 -0.000388 0.017174 -0.003359 -0.000073 0.004008 0.012915 -0.008085 -0.008532 -0.000194 0.008727 1.912514 2.182678 -0.586046 0.124468 2.038365 -0.114666 1.516498 -0.000000 33 H 6.326141 4.428057 10.016775 0.140633 1.113320 0.86910182E+01 0.88056084E+02 1.851768 1.780160 -1.234877 2.292947 0.995162 3.762926 11.087369 0.442118 1.367348 -0.689775 0.007844 -0.000861 -0.009509 0.012357 0.002198 -0.003266 0.004842 0.007198 0.004062 -0.008209 0.002452 0.005757 1.888325 2.192598 0.296198 -0.385231 1.673456 -0.231180 1.798922 -0.000000 34 H 7.011596 1.896475 9.921786 0.136410 0.916046 0.69687719E+01 0.66865917E+02 1.625936 1.595065 -1.012225 2.395552 0.997179 3.609629 10.376499 0.466258 1.369088 -0.689019 0.008211 0.009384 -0.005265 0.013535 0.000026 -0.004915 -0.005585 0.000452 -0.015121 -0.009607 0.002516 0.007091 1.648692 2.037035 0.130156 -0.212904 1.405130 -0.112506 1.503910 -0.000000 35 H 5.857202 0.834131 9.898804 0.149822 0.856627 0.63625775E+01 0.59225878E+02 1.518321 1.496549 -0.756647 2.527479 0.999623 3.291298 9.091298 0.498480 1.320018 -0.700621 -0.010727 -0.009891 -0.003999 0.015129 0.002417 0.004440 0.001652 -0.001934 -0.014582 -0.007163 0.000673 0.006490 1.523588 1.354840 0.182655 0.092785 1.833353 0.177270 1.382572 -0.000000 36 H 6.206794 1.585114 11.230187 0.158442 0.930355 0.67663433E+01 0.64740762E+02 1.674175 1.594422 -1.157639 2.340128 0.996637 3.604308 10.501507 0.454358 1.408912 -0.680992 -0.005154 0.000652 0.015698 0.016536 -0.004476 0.002404 -0.001682 -0.006256 0.003869 -0.006366 0.000137 0.006230 1.728486 1.429421 -0.048470 0.150601 1.411452 -0.265479 2.344583 -0.000001 37 H 3.245927 -3.429400 8.428002 0.261400 0.605537 0.42190921E+01 0.36583452E+02 1.355054 1.340283 -1.330916 2.316821 0.996488 3.216661 9.512721 0.442420 1.596634 -0.647196 0.025604 0.021479 -0.005633 0.033891 0.002380 0.001685 -0.012494 0.000359 -0.008400 -0.013959 0.002042 0.011916 1.382317 1.570998 0.070752 -0.090206 1.343179 -0.035424 1.232776 0.000001 38 H 5.288560 -1.416165 11.884387 0.103556 1.044597 0.72428269E+01 0.70200929E+02 1.771914 1.624173 -1.190442 2.315146 0.995445 3.710173 10.735520 0.462683 1.365802 -0.689118 0.040654 0.021854 -0.006660 0.046634 0.007119 -0.010361 0.000146 0.008947 -0.009431 -0.011973 -0.002842 0.014816 1.866002 2.348796 0.554505 0.097030 1.688115 0.117240 1.561094 -0.000001 39 H 1.933108 -2.209606 13.715229 0.092567 1.217441 0.86227319E+01 0.86148330E+02 1.873623 1.706848 -1.028979 2.380660 0.997602 3.615861 10.171538 0.483869 1.266999 -0.711563 -0.031617 0.004535 0.031134 0.044604 0.009821 -0.010142 0.002323 0.012017 0.006702 -0.015738 0.000202 0.015535 1.993047 2.043203 -0.187595 -0.533432 1.530299 0.366982 2.405638 -0.000001 40 H 1.402911 -3.830986 12.193868 0.135312 1.064154 0.78435560E+01 0.75641217E+02 1.650721 1.587037 -0.831411 2.498783 0.999703 3.156384 8.396805 0.527434 1.204182 -0.729135 -0.030147 -0.017568 0.004108 0.035133 0.010189 -0.006119 0.007365 0.003278 -0.000607 -0.016016 0.005592 0.010424 1.653168 1.939211 0.295299 -0.091056 1.552563 0.072371 1.467730 -0.000001 41 H 4.852362 -3.022507 10.306339 0.131920 0.998757 0.72305638E+01 0.70675760E+02 1.769873 1.662687 -1.429930 2.208529 0.992842 3.881627 11.610273 0.437047 1.433772 -0.674797 0.023415 -0.007758 -0.024202 0.034557 0.008924 -0.005568 0.006413 -0.002939 0.004961 -0.014307 0.005585 0.008722 1.840193 1.961744 -0.128402 -0.437548 1.513936 0.308644 2.044898 -0.000000 42 H 3.423364 -5.224152 9.860502 0.131503 1.155897 0.87837927E+01 0.87889790E+02 1.816725 1.729226 -0.795081 2.512673 0.999046 3.360280 9.363791 0.479509 1.276594 -0.712442 0.031670 -0.022638 -0.001109 0.038945 -0.010821 0.000782 -0.009120 -0.001163 -0.015329 -0.013393 -0.002593 0.015985 1.883991 2.007049 -0.500610 -0.139718 2.082861 0.252022 1.562062 -0.000000 43 H 1.900367 -5.058741 10.186836 0.114282 1.140593 0.89860277E+01 0.90321439E+02 1.784057 1.735450 -0.779753 2.507014 0.998748 3.454844 9.612571 0.484836 1.256862 -0.716053 -0.028912 -0.013503 0.009718 0.033356 0.004060 0.000082 -0.009479 0.010218 0.005354 -0.013042 0.003824 0.009217 1.813233 1.998400 0.385137 -0.038315 1.878886 0.084327 1.562414 -0.000001 44 H 1.124082 -2.796947 9.575534 0.087009 1.046969 0.84518430E+01 0.85027479E+02 1.763125 1.742025 -1.223255 2.283672 0.993490 3.972347 11.658507 0.452178 1.346445 -0.692518 -0.006805 0.010703 0.034027 0.036314 -0.007176 -0.007014 -0.001170 -0.006762 -0.003651 -0.011609 0.002127 0.009482 1.794435 1.638519 -0.076847 -0.058174 1.579439 0.203527 2.165346 0.000000 45 H 0.772377 -1.148146 7.951524 0.070394 1.089231 0.85550773E+01 0.86037838E+02 1.787064 1.734899 -1.094113 2.336494 0.993802 3.943216 11.444706 0.461620 1.319337 -0.698393 -0.033020 0.027736 -0.007002 0.043688 -0.007062 0.000005 0.001453 0.010163 0.011987 -0.010811 0.003953 0.006858 1.835694 2.278589 -0.344723 -0.004773 1.802978 0.029943 1.425516 -0.000000 46 H 2.300655 -0.931431 6.175837 0.157841 1.125723 0.84527297E+01 0.83771986E+02 1.781881 1.694695 -0.910635 2.457888 0.999093 3.307109 9.172806 0.485050 1.274141 -0.712757 -0.000589 0.012800 0.000760 0.012836 0.001473 -0.001857 0.001418 0.000947 0.013342 -0.004349 -0.000741 0.005091 1.811838 1.553692 0.299289 -0.091523 2.348649 -0.286023 1.533174 -0.000001 47 H 1.327923 -2.149456 6.008839 0.156141 1.193148 0.92239929E+01 0.93634574E+02 1.872057 1.785557 -1.000659 2.416318 0.998189 3.399438 9.609982 0.465510 1.296164 -0.708183 -0.016344 -0.003502 -0.002989 0.016980 0.002025 0.002957 -0.002905 0.015198 -0.002341 -0.008858 -0.000113 0.008971 1.913344 2.184130 0.401219 0.445883 1.746746 0.283539 1.809155 -0.000000 48 H 2.805504 -2.384747 6.477657 0.137524 1.121618 0.87702105E+01 0.89045818E+02 1.859661 1.787189 -1.231888 2.292961 0.995127 3.778191 11.138209 0.441713 1.365722 -0.690092 0.008992 -0.008255 0.005059 0.013213 -0.003925 0.000477 -0.005351 0.007087 0.003197 -0.008311 0.001733 0.006578 1.896611 2.202915 -0.485433 -0.064514 1.976841 0.061756 1.510078 -0.000000 49 H 3.490959 -1.201219 8.717566 0.138461 0.909128 0.69026938E+01 0.66076750E+02 1.618400 1.588081 -1.009996 2.398235 0.997234 3.592645 10.316808 0.467001 1.370119 -0.688864 0.007796 -0.009412 -0.005418 0.013369 -0.003874 0.002392 0.006222 0.000901 -0.012718 -0.009581 0.002723 0.006859 1.640854 2.025693 -0.247240 -0.006021 1.569635 0.013262 1.327234 0.000000 50 H 2.336565 -0.689949 9.649074 0.151925 0.851211 0.63128666E+01 0.58655112E+02 1.512881 1.491525 -0.755870 2.530061 0.999720 3.279419 9.053726 0.498840 1.321496 -0.700340 -0.011484 0.001152 0.009736 0.015100 0.002826 -0.003899 0.003020 0.005650 0.008289 -0.007313 0.001227 0.006086 1.518015 1.350372 -0.010769 -0.202960 1.337510 0.105618 1.866163 -0.000000 51 H 2.686157 0.087570 8.333013 0.160346 0.924672 0.67226306E+01 0.64284900E+02 1.674692 1.595110 -1.182556 2.331756 0.996324 3.604457 10.534436 0.451298 1.419297 -0.679039 -0.005449 0.012814 -0.008048 0.016084 0.004395 0.002559 0.001392 -0.005947 0.001337 -0.005969 -0.000189 0.006159 1.728975 1.430339 0.155058 -0.033372 2.341380 -0.270694 1.415206 -0.000001 52 H 5.006246 8.677436 1.244053 0.263192 0.604734 0.42112328E+01 0.36493095E+02 1.352892 1.338225 -1.327816 2.318636 0.996498 3.210939 9.488500 0.443225 1.594704 -0.647484 0.025323 0.015482 0.016186 0.033807 -0.000091 0.002850 0.007723 -0.007753 -0.032802 -0.014018 0.002001 0.012017 1.380079 1.568015 0.112989 0.015973 1.289153 0.065292 1.283070 0.000001 53 H 7.048879 6.690736 4.715759 0.102748 1.047271 0.72649819E+01 0.70452973E+02 1.773023 1.625178 -1.185329 2.316299 0.995551 3.713884 10.740895 0.463279 1.363323 -0.689592 0.041576 0.015951 0.015372 0.047110 0.013023 0.001115 -0.000236 0.008673 -0.007174 -0.012600 -0.002355 0.014956 1.867183 2.350344 0.193359 0.529104 1.492189 -0.003706 1.759017 -0.000001 54 H 3.693426 4.708460 4.944040 0.092972 1.218305 0.86296243E+01 0.86253934E+02 1.876557 1.709086 -1.030714 2.380152 0.997537 3.616145 10.182029 0.482783 1.269308 -0.711078 -0.031807 -0.024930 0.019715 0.044965 0.013431 0.003385 -0.004792 0.006664 -0.006915 -0.015324 0.000328 0.014996 1.996425 2.046714 0.369526 -0.430761 1.872051 -0.564274 2.070511 -0.000001 55 H 3.163229 5.215307 2.779203 0.135311 1.065177 0.78537373E+01 0.75763188E+02 1.651606 1.587948 -0.832162 2.497673 0.999700 3.158073 8.402334 0.527347 1.204003 -0.729170 -0.030010 -0.012216 -0.013409 0.035066 0.010586 0.005553 -0.003843 0.008843 0.015631 -0.015961 0.005427 0.010534 1.654032 1.940128 0.226576 0.210165 1.426983 0.000428 1.594984 -0.000001 56 H 6.612680 7.254195 2.535602 0.131353 1.003321 0.72655974E+01 0.71046840E+02 1.768771 1.661609 -1.428580 2.208136 0.992923 3.882256 11.583989 0.439557 1.425009 -0.676376 0.022901 0.017260 -0.018730 0.034251 0.009389 0.004918 -0.003900 0.002307 0.018749 -0.014435 0.005846 0.008589 1.839045 1.960427 0.314637 -0.329869 1.643954 -0.384067 1.912754 -0.000000 57 H 5.183682 6.539478 0.406003 0.130708 1.160784 0.88287690E+01 0.88457801E+02 1.822530 1.734146 -0.796472 2.511543 0.998953 3.366289 9.388571 0.478594 1.277328 -0.712298 0.031534 -0.010508 -0.019849 0.038714 -0.005639 -0.009480 0.007987 -0.002445 -0.019761 -0.013617 -0.002159 0.015776 1.890328 2.014738 -0.130146 -0.506850 1.477730 0.099979 2.178515 -0.000000 58 H 3.660685 6.339570 0.712420 0.113410 1.148245 0.90633108E+01 0.91309534E+02 1.793561 1.744105 -0.860941 2.470870 0.997767 3.465654 9.659372 0.483044 1.258606 -0.715679 -0.029445 -0.015378 -0.006965 0.033941 0.001811 0.003268 0.001252 -0.003636 -0.035572 -0.012539 0.003747 0.008792 1.823133 2.010348 0.228038 0.317569 1.576117 0.095672 1.882934 -0.000001 59 H 2.884400 7.999870 2.365540 0.087839 1.044168 0.84237574E+01 0.84682387E+02 1.760935 1.739935 -1.223615 2.283959 0.993483 3.965743 11.638396 0.452093 1.347694 -0.692293 -0.008455 -0.023719 0.026162 0.036311 0.002037 -0.008827 0.002884 -0.003936 0.005285 -0.010643 0.001910 0.008733 1.792193 1.636533 0.011869 -0.095506 1.840191 -0.354694 1.899854 0.000000 60 H 2.532696 10.230705 2.981438 0.068900 1.090702 0.85656705E+01 0.86142034E+02 1.786260 1.734039 -1.086109 2.339464 0.993835 3.942698 11.430475 0.462663 1.316399 -0.699017 -0.033665 0.019379 0.020794 0.044060 -0.004137 -0.005706 -0.005036 0.003232 -0.009471 -0.010498 0.003674 0.006823 1.834876 2.277709 -0.168318 -0.300980 1.493209 0.148426 1.733710 -0.000000 61 H 4.060974 11.876853 2.281275 0.157858 1.121539 0.84142042E+01 0.83285357E+02 1.776533 1.690124 -0.907828 2.459776 0.999125 3.301960 9.149309 0.486066 1.273079 -0.712988 -0.000943 0.005562 0.011973 0.013236 0.002256 0.000542 -0.003844 -0.003508 0.001437 -0.004459 -0.000685 0.005144 1.806192 1.549711 0.227576 0.212226 1.978071 0.493082 1.890794 -0.000001 62 H 3.088241 11.412464 1.142936 0.156489 1.188967 0.91869780E+01 0.93181834E+02 1.869216 1.783256 -1.016455 2.411352 0.998139 3.394965 9.598995 0.465223 1.298034 -0.707801 -0.016400 0.002251 -0.003892 0.017005 -0.001045 0.003369 -0.000851 0.007884 -0.023103 -0.008448 -0.000209 0.008658 1.910269 2.179953 -0.184938 0.568326 1.546282 -0.168304 2.004572 -0.000000 63 H 4.565823 10.888811 1.173577 0.139885 1.117481 0.87325679E+01 0.88581774E+02 1.855891 1.783973 -1.233388 2.293117 0.995141 3.772799 11.122690 0.441813 1.366676 -0.689866 0.008462 -0.009032 -0.004015 0.013011 -0.001841 -0.003379 0.000269 -0.001632 -0.021772 -0.008292 0.002282 0.006010 1.892607 2.197785 -0.185795 -0.450525 1.570497 0.170311 1.909538 -0.000000 64 H 5.251277 9.540756 3.318497 0.137838 0.912056 0.69268209E+01 0.66332503E+02 1.618287 1.587930 -1.004608 2.399660 0.997122 3.593189 10.303509 0.468548 1.365085 -0.689842 0.007474 0.000233 -0.010452 0.012851 -0.004405 -0.002551 -0.000543 0.011374 0.016575 -0.010074 0.002727 0.007346 1.640745 2.025673 -0.118275 -0.217369 1.376139 0.098248 1.520422 -0.000000 65 H 4.096883 8.989682 4.227024 0.148660 0.857260 0.63661878E+01 0.59242030E+02 1.516376 1.494806 -0.750288 2.529879 0.999708 3.289013 9.070709 0.500074 1.316199 -0.701435 -0.012086 -0.009099 0.007115 0.016718 0.004671 0.000821 -0.004275 0.003779 -0.000343 -0.007291 0.001529 0.005762 1.521574 1.353213 0.171047 -0.111248 1.646571 -0.282910 1.564936 -0.000000 66 H 4.446476 10.518184 4.242345 0.159854 0.925326 0.67265163E+01 0.64314219E+02 1.673688 1.594189 -1.175010 2.334086 0.996417 3.601905 10.517183 0.452135 1.416840 -0.679515 -0.005390 0.013618 0.007206 0.016323 -0.000388 0.004991 -0.000005 -0.003040 0.010610 -0.005942 -0.000233 0.006176 1.727871 1.429404 0.106347 0.117419 1.880305 0.535925 1.873904 -0.000001 67 H 1.485714 5.584164 7.183949 0.265360 0.602337 0.41949601E+01 0.36352780E+02 1.354611 1.339941 -1.351506 2.309508 0.996238 3.216842 9.536736 0.440374 1.604999 -0.645806 0.024181 0.005995 -0.021113 0.032656 0.002619 -0.001281 0.004772 0.014795 0.032946 -0.014297 0.002336 0.011960 1.381895 1.569979 -0.042758 -0.105733 1.229738 -0.030134 1.345970 0.000001 68 H 3.528347 9.584099 7.168628 0.104424 1.044214 0.72393163E+01 0.70159393E+02 1.771479 1.623741 -1.190130 2.315259 0.995464 3.708980 10.731990 0.462754 1.365738 -0.689116 0.040568 0.005260 -0.021627 0.046273 -0.005665 -0.012185 -0.000078 0.008508 -0.009414 -0.012810 -0.002705 0.015515 1.865527 2.348401 0.361302 -0.431696 1.693769 -0.113658 1.554412 -0.000001 69 H 0.172895 10.772934 8.771189 0.090763 1.218866 0.86310167E+01 0.86201629E+02 1.870397 1.704107 -1.008652 2.388689 0.997800 3.615476 10.149406 0.486060 1.261720 -0.712721 -0.032288 0.030409 0.012216 0.046005 -0.003774 -0.013340 0.002432 0.002988 -0.019533 -0.015360 0.000252 0.015108 1.989427 2.039596 -0.554480 -0.104025 2.499517 0.195079 1.429169 -0.000001 70 H 10.204398 8.644707 9.414665 0.135639 1.063127 0.78339476E+01 0.75517696E+02 1.648637 1.585219 -0.828002 2.499448 0.999709 3.156008 8.391290 0.528213 1.202899 -0.729404 -0.029970 -0.005625 0.016957 0.034891 -0.000332 -0.011967 -0.003422 -0.004222 -0.022831 -0.016210 0.005683 0.010526 1.651055 1.936304 0.068446 -0.300399 1.549970 -0.072705 1.466890 -0.000001 71 H 3.092149 7.414298 7.770738 0.130443 0.999261 0.72355434E+01 0.70738851E+02 1.770927 1.663676 -1.411816 2.215407 0.992998 3.884209 11.620384 0.436739 1.434490 -0.674691 0.023769 -0.025399 -0.005774 0.035262 -0.000401 -0.010454 -0.002724 -0.009090 -0.014567 -0.014282 0.005652 0.008630 1.841309 1.962944 -0.443265 -0.107674 2.180819 0.075632 1.380165 -0.000000 72 H 1.663151 5.927370 9.454500 0.128986 1.169430 0.89089044E+01 0.89459892E+02 1.831210 1.741693 -0.799659 2.508952 0.998875 3.378942 9.433451 0.477696 1.276880 -0.712382 0.032459 -0.013219 0.018989 0.039861 -0.004649 0.009802 0.000926 0.012635 0.026068 -0.013106 -0.002735 0.015841 1.899750 2.025262 -0.377091 0.369426 1.926325 -0.356358 1.747664 -0.000000 73 H 0.140154 6.292689 9.474417 0.112432 1.150851 0.90879282E+01 0.91617305E+02 1.796218 1.746429 -0.854192 2.472708 0.997867 3.469024 9.671110 0.482753 1.258544 -0.715706 -0.029529 0.001411 0.016587 0.033898 0.002086 -0.003206 0.007903 0.012822 0.011839 -0.012871 0.004065 0.008806 1.825898 2.014377 0.161365 -0.357596 1.725333 -0.180970 1.737986 -0.000001 74 H 9.925569 6.894183 7.209994 0.089066 1.045103 0.84397155E+01 0.84937287E+02 1.766352 1.745073 -1.239912 2.276719 0.993268 3.976783 11.701720 0.449785 1.353102 -0.691158 -0.007081 0.034352 0.007338 0.035834 -0.009039 0.002586 -0.001852 -0.000933 0.011000 -0.010910 0.001871 0.009040 1.797869 1.641582 -0.089076 0.037711 2.199719 0.152180 1.552307 0.000000 75 H 9.573864 6.312149 4.970085 0.070949 1.087841 0.85384133E+01 0.85800270E+02 1.783095 1.731270 -1.078780 2.342591 0.993923 3.935372 11.405064 0.463032 1.316387 -0.699013 -0.032840 0.008382 -0.027057 0.043368 -0.002907 0.006354 0.003991 0.000956 -0.017812 -0.010919 0.004047 0.006873 1.831489 2.272704 -0.175676 0.295076 1.542670 -0.177674 1.679094 -0.000000 76 H 0.540442 4.882716 3.894561 0.156339 1.125961 0.84540195E+01 0.83765358E+02 1.779997 1.693127 -0.901728 2.461681 0.999122 3.308798 9.168343 0.486136 1.271590 -0.713306 -0.001283 0.007940 -0.011511 0.014043 -0.001208 -0.002388 0.002490 -0.006112 -0.006624 -0.004601 -0.000938 0.005539 1.809831 1.552534 0.070296 -0.304500 1.488044 -0.209372 2.388914 -0.000001 77 H 10.129410 4.129079 4.865904 0.156792 1.188976 0.91876557E+01 0.93209772E+02 1.871279 1.784985 -1.017456 2.410732 0.998005 3.393425 9.602233 0.464252 1.300456 -0.707325 -0.016680 -0.004069 0.000388 0.017173 0.003359 0.000073 0.004008 0.012915 -0.008085 -0.008532 -0.000195 0.008727 1.912513 2.182677 0.586046 -0.124468 2.038364 -0.114666 1.516498 -0.000000 78 H 1.045291 4.417443 5.304080 0.140633 1.113320 0.86910176E+01 0.88056078E+02 1.851768 1.780161 -1.234878 2.292947 0.995162 3.762926 11.087370 0.442118 1.367348 -0.689775 0.007844 0.000861 0.009509 0.012357 -0.002198 0.003266 0.004842 0.007198 0.004062 -0.008209 0.002452 0.005757 1.888325 2.192598 -0.296198 0.385231 1.673456 -0.231180 1.798922 -0.000000 79 H 1.730746 6.949025 5.399069 0.136410 0.916046 0.69687719E+01 0.66865917E+02 1.625936 1.595065 -1.012225 2.395552 0.997179 3.609629 10.376499 0.466258 1.369088 -0.689019 0.008211 -0.009384 0.005265 0.013535 -0.000026 0.004915 -0.005585 0.000452 -0.015121 -0.009607 0.002516 0.007091 1.648692 2.037035 -0.130156 0.212904 1.405130 -0.112506 1.503910 -0.000000 80 H 0.576352 8.011369 5.422051 0.149822 0.856627 0.63625769E+01 0.59225873E+02 1.518321 1.496549 -0.756647 2.527478 0.999623 3.291298 9.091299 0.498480 1.320019 -0.700621 -0.010727 0.009891 0.003999 0.015129 -0.002417 -0.004440 0.001652 -0.001934 -0.014582 -0.007163 0.000673 0.006490 1.523588 1.354840 -0.182655 -0.092785 1.833353 0.177270 1.382572 -0.000000 81 H 0.925944 7.260386 4.090668 0.158442 0.930355 0.67663425E+01 0.64740754E+02 1.674176 1.594422 -1.157639 2.340128 0.996637 3.604308 10.501508 0.454358 1.408913 -0.680992 -0.005154 -0.000652 -0.015698 0.016536 0.004476 -0.002404 -0.001682 -0.006256 0.003869 -0.006366 0.000137 0.006230 1.728486 1.429422 0.048470 -0.150601 1.411452 -0.265479 2.344583 -0.000001 82 H 8.526777 12.274900 6.892853 0.261400 0.605537 0.42190913E+01 0.36583445E+02 1.355054 1.340283 -1.330916 2.316821 0.996488 3.216661 9.512722 0.442420 1.596634 -0.647196 0.025604 -0.021479 0.005633 0.033891 -0.002380 -0.001685 -0.012494 0.000359 -0.008400 -0.013959 0.002042 0.011916 1.382318 1.570998 -0.070752 0.090206 1.343179 -0.035424 1.232776 0.000001 83 H 0.007710 10.261665 3.436468 0.103556 1.044597 0.72428261E+01 0.70200921E+02 1.771914 1.624173 -1.190442 2.315146 0.995445 3.710173 10.735521 0.462683 1.365802 -0.689118 0.040654 -0.021854 0.006660 0.046634 -0.007119 0.010361 0.000146 0.008947 -0.009431 -0.011973 -0.002842 0.014816 1.866002 2.348797 -0.554505 -0.097030 1.688115 0.117240 1.561094 -0.000001 84 H 7.213958 11.055106 1.605626 0.092567 1.217441 0.86227319E+01 0.86148330E+02 1.873623 1.706848 -1.028979 2.380660 0.997602 3.615861 10.171538 0.483869 1.266999 -0.711563 -0.031617 -0.004535 -0.031134 0.044604 -0.009821 0.010142 0.002323 0.012017 0.006702 -0.015738 0.000202 0.015535 1.993047 2.043203 0.187595 0.533432 1.530299 0.366982 2.405638 -0.000001 85 H 6.683761 12.676486 3.126987 0.135312 1.064153 0.78435546E+01 0.75641208E+02 1.650722 1.587037 -0.831411 2.498784 0.999703 3.156383 8.396805 0.527434 1.204183 -0.729135 -0.030147 0.017568 -0.004108 0.035133 -0.010189 0.006119 0.007365 0.003278 -0.000607 -0.016016 0.005592 0.010424 1.653168 1.939211 -0.295299 0.091056 1.552563 0.072371 1.467730 -0.000001 86 H 10.133212 11.868007 5.014516 0.131920 0.998757 0.72305650E+01 0.70675774E+02 1.769873 1.662687 -1.429930 2.208529 0.992842 3.881627 11.610273 0.437047 1.433772 -0.674797 0.023415 0.007758 0.024202 0.034557 -0.008924 0.005568 0.006413 -0.002939 0.004961 -0.014307 0.005585 0.008722 1.840193 1.961744 0.128402 0.437548 1.513936 0.308644 2.044898 -0.000000 87 H 8.704214 14.069652 5.460353 0.131503 1.155897 0.87837912E+01 0.87889771E+02 1.816725 1.729226 -0.795081 2.512673 0.999046 3.360280 9.363791 0.479509 1.276594 -0.712442 0.031670 0.022638 0.001109 0.038945 0.010821 -0.000782 -0.009120 -0.001163 -0.015329 -0.013393 -0.002593 0.015985 1.883991 2.007049 0.500610 0.139718 2.082861 0.252022 1.562062 -0.000000 88 H 7.181217 13.904241 5.134019 0.114282 1.140593 0.89860291E+01 0.90321458E+02 1.784057 1.735450 -0.779753 2.507014 0.998748 3.454844 9.612572 0.484836 1.256863 -0.716053 -0.028912 0.013503 -0.009718 0.033356 -0.004060 -0.000082 -0.009479 0.010218 0.005354 -0.013042 0.003824 0.009217 1.813234 1.998400 -0.385138 0.038315 1.878887 0.084327 1.562414 -0.000001 89 H 6.404932 11.642447 5.745321 0.087008 1.046969 0.84518409E+01 0.85027454E+02 1.763125 1.742025 -1.223255 2.283672 0.993490 3.972347 11.658508 0.452178 1.346446 -0.692518 -0.006805 -0.010703 -0.034027 0.036314 0.007176 0.007014 -0.001170 -0.006762 -0.003651 -0.011609 0.002127 0.009482 1.794435 1.638519 0.076847 0.058174 1.579439 0.203527 2.165347 0.000000 90 H 6.053227 9.993646 7.369331 0.070394 1.089231 0.85550768E+01 0.86037831E+02 1.787064 1.734899 -1.094113 2.336494 0.993802 3.943216 11.444705 0.461620 1.319337 -0.698393 -0.033020 -0.027736 0.007003 0.043688 0.007062 -0.000005 0.001453 0.010163 0.011987 -0.010811 0.003953 0.006858 1.835694 2.278589 0.344723 0.004773 1.802977 0.029943 1.425516 -0.000000 91 H 7.581505 9.776931 9.145018 0.157841 1.125723 0.84527297E+01 0.83771987E+02 1.781881 1.694695 -0.910635 2.457888 0.999093 3.307109 9.172807 0.485050 1.274141 -0.712757 -0.000589 -0.012800 -0.000760 0.012836 -0.001473 0.001857 0.001418 0.000947 0.013342 -0.004349 -0.000741 0.005091 1.811839 1.553692 -0.299289 0.091523 2.348650 -0.286023 1.533174 -0.000001 92 H 6.608773 10.994957 9.312016 0.156141 1.193148 0.92239900E+01 0.93634540E+02 1.872058 1.785557 -1.000659 2.416319 0.998189 3.399437 9.609980 0.465510 1.296164 -0.708183 -0.016344 0.003502 0.002989 0.016980 -0.002025 -0.002957 -0.002905 0.015198 -0.002341 -0.008858 -0.000113 0.008971 1.913344 2.184130 -0.401219 -0.445883 1.746746 0.283540 1.809155 -0.000000 93 H 8.086354 11.230247 8.843198 0.137524 1.121618 0.87702103E+01 0.89045816E+02 1.859661 1.787189 -1.231887 2.292961 0.995127 3.778191 11.138209 0.441713 1.365722 -0.690092 0.008992 0.008255 -0.005059 0.013213 0.003925 -0.000477 -0.005351 0.007087 0.003197 -0.008311 0.001733 0.006578 1.896611 2.202915 0.485432 0.064514 1.976840 0.061756 1.510078 -0.000000 94 H 8.771809 10.046719 6.603289 0.138461 0.909128 0.69026930E+01 0.66076742E+02 1.618400 1.588081 -1.009996 2.398235 0.997234 3.592645 10.316809 0.467001 1.370119 -0.688864 0.007796 0.009412 0.005418 0.013369 0.003874 -0.002392 0.006222 0.000901 -0.012718 -0.009581 0.002723 0.006859 1.640854 2.025693 0.247240 0.006021 1.569636 0.013262 1.327234 -0.000000 95 H 7.617415 9.535449 5.671781 0.151925 0.851212 0.63128707E+01 0.58655156E+02 1.512881 1.491525 -0.755870 2.530061 0.999720 3.279420 9.053727 0.498840 1.321495 -0.700341 -0.011484 -0.001152 -0.009736 0.015100 -0.002826 0.003899 0.003020 0.005650 0.008289 -0.007313 0.001227 0.006086 1.518015 1.350372 0.010769 0.202960 1.337510 0.105618 1.866163 -0.000000 96 H 7.967007 8.757930 6.987842 0.160346 0.924672 0.67226298E+01 0.64284892E+02 1.674692 1.595110 -1.182556 2.331756 0.996324 3.604457 10.534437 0.451297 1.419298 -0.679039 -0.005449 -0.012814 0.008048 0.016084 -0.004395 -0.002559 0.001392 -0.005947 0.001337 -0.005969 -0.000189 0.006159 1.728975 1.430339 -0.155058 0.033372 2.341380 -0.270694 1.415206 -0.000001 97 C 0.976957 2.444896 10.997310 0.100999 28.572636 0.34318653E+03 0.76508904E+04 8.346395 6.325523 0.003357 2.023452 0.999137 26.189947 74.770515 0.628392 0.437214 -1.045022 -0.032934 0.031965 -0.010705 0.047127 0.011714 0.010326 0.019500 -0.022582 -0.096880 -0.039138 -0.000049 0.039187 9.943275 9.611145 -1.512445 -1.696272 7.120636 -3.865913 13.098045 -0.000002 98 C 9.562563 3.609849 10.867082 0.089529 27.022841 0.33008320E+03 0.72658453E+04 7.903696 6.114135 0.221168 2.084417 0.999798 26.057274 73.205533 0.655187 0.424696 -1.055776 0.038777 -0.034773 0.001786 0.052116 0.001727 0.015694 0.012315 0.000425 -0.086055 -0.036286 0.012611 0.023675 9.180237 8.833493 -1.414990 -0.931433 6.608406 -3.629868 12.098813 -0.000002 99 C 9.234094 3.309102 12.169355 -0.206105 31.835566 0.41972067E+03 0.97531180E+04 8.612027 6.760026 0.381540 2.096637 0.999695 29.207273 82.697316 0.645588 0.408289 -1.072540 -0.005502 0.004489 -0.014475 0.016123 -0.003662 -0.012132 0.009310 0.021553 -0.016607 -0.017300 -0.004074 0.021374 9.947655 8.318711 -1.638902 -0.328748 7.549942 -4.460215 13.974311 -0.000002 100 C 10.090648 2.523621 12.923141 0.162406 30.614644 0.37926351E+03 0.85704777E+04 8.651042 6.571657 0.067922 2.052636 0.999269 25.027522 69.297693 0.634749 0.427012 -1.063309 -0.003576 -0.012568 0.027306 0.030272 0.011491 0.000642 0.005008 -0.023100 0.049849 -0.024643 0.005800 0.018844 10.651610 8.656224 -0.802156 -2.000884 7.600458 -4.963181 15.698149 -0.000000 101 C 0.718196 2.101691 12.308775 -0.178990 34.396304 0.46907757E+03 0.11292802E+05 9.376581 7.363564 -0.154547 1.932897 0.997652 30.105041 88.943707 0.586930 0.433474 -1.048604 0.008554 0.006764 -0.002521 0.011193 0.013359 0.006887 -0.000943 -0.018115 -0.001449 -0.018310 0.001569 0.016741 10.974098 10.685258 -1.068978 -2.377470 7.145099 -3.900152 15.091936 -0.000001 102 C 9.748449 2.055694 14.312743 -0.136888 26.016863 0.38114740E+03 0.87426622E+04 7.792293 6.540946 -0.255495 1.923807 0.997230 28.721522 83.788290 0.634360 0.420939 -1.052606 -0.002654 -0.092784 -0.031539 0.098034 0.006409 0.003402 0.010936 -0.064359 -0.185602 -0.062948 -0.001791 0.064739 9.006323 6.916724 1.122416 -0.967843 7.721485 -2.046962 12.380761 -0.000000 103 C 7.149215 -0.085801 14.491997 0.600624 23.709337 0.24571993E+03 0.50823009E+04 7.686780 5.622194 0.044684 2.080067 0.999632 22.265697 62.961072 0.613880 0.482395 -1.010969 -0.054374 -0.016819 0.036992 0.067881 -0.032294 -0.000216 -0.007963 -0.147189 -0.156503 -0.055454 -0.051376 0.106830 9.594070 13.018285 1.532579 -0.067668 4.294793 0.597330 11.469133 0.000001 104 C 8.383877 0.127464 13.583623 -0.072087 28.103965 0.42791049E+03 0.10064308E+05 8.319406 7.061398 -0.348653 1.907034 0.996765 28.178088 82.191031 0.595958 0.436978 -1.046865 0.099618 -0.000959 0.023127 0.102272 0.010107 0.059915 0.015241 0.009637 -0.017723 -0.059761 -0.006106 0.065868 9.655778 11.438081 1.353406 -1.347542 7.697942 1.156118 9.831311 0.000001 105 C 8.660594 -1.130455 12.762272 0.106316 23.278645 0.38241939E+03 0.87655110E+04 7.405630 6.739081 -0.375169 1.915958 0.998636 26.255006 76.177372 0.600034 0.445341 -1.039496 0.076199 -0.018815 0.009014 0.079004 -0.001128 -0.009944 -0.006606 -0.038070 0.026317 -0.026453 0.006980 0.019473 7.984722 7.625452 -0.561066 -1.348108 7.079534 0.784784 9.249179 -0.000000 106 C 9.093624 -2.298945 13.609515 -0.507098 24.773969 0.42621933E+03 0.10044321E+05 7.219905 6.667088 0.036094 1.968356 0.997279 32.837160 96.807419 0.664581 0.391084 -1.073128 -0.028276 0.055400 -0.050997 0.080433 0.001543 0.008052 -0.028267 -0.022406 -0.030031 -0.030465 -0.004024 0.034490 7.382955 7.148280 -0.432124 -0.197070 7.017807 -0.007917 7.982778 -0.000000 107 C 9.669236 -0.888088 11.628529 -0.507218 27.542813 0.48228709E+03 0.11651676E+05 7.739291 7.101790 0.162781 2.005032 0.998022 32.747620 95.841407 0.646490 0.392158 -1.078889 -0.057416 -0.021144 0.053156 0.081051 0.004439 -0.013650 -0.025376 0.033166 0.089846 -0.040680 -0.003251 0.043930 8.302923 8.148397 -0.161314 -1.834412 6.759250 0.767311 10.001122 -0.000002 108 C 8.018126 -0.543998 7.704858 0.102670 28.511492 0.34237678E+03 0.76270693E+04 8.328440 6.313099 0.045242 2.036950 0.999246 26.156065 74.605215 0.629855 0.436528 -1.045606 -0.034680 -0.024403 -0.023437 0.048451 0.005748 -0.018701 0.015233 0.035622 0.082800 -0.037935 -0.001625 0.039560 9.920363 9.590809 -0.710686 2.153591 14.913372 -0.653603 5.256909 -0.000002 109 C 6.042032 -1.239255 6.761093 0.089333 27.063694 0.33065319E+03 0.72829866E+04 7.919788 6.126824 0.204169 2.079329 0.999825 26.081091 73.343399 0.653191 0.425725 -1.054927 0.036663 0.017698 0.027900 0.049354 0.016480 -0.010490 0.013128 0.041027 0.040393 -0.037989 0.013668 0.024321 9.199157 8.850305 -0.104811 1.694084 13.900477 -0.565162 4.846690 -0.000002 110 C 5.713563 0.038920 6.370412 -0.205072 31.843123 0.41984535E+03 0.97574308E+04 8.616775 6.763808 0.374043 2.094578 0.999708 29.204615 82.714934 0.644964 0.408625 -1.072243 -0.004843 -0.016449 0.003137 0.017432 -0.006478 0.008654 -0.006491 0.026003 -0.000265 -0.015966 -0.003715 0.019681 9.953073 8.322887 0.535010 1.584077 16.240395 -0.551464 5.295936 -0.000002 111 C 6.570117 1.084458 6.673764 0.162082 30.601034 0.37912457E+03 0.85660872E+04 8.646035 6.568831 0.066708 2.052598 0.999267 25.023408 69.268933 0.635155 0.426801 -1.063498 -0.003150 0.029879 -0.001943 0.030107 -0.005814 -0.010192 -0.008713 -0.027246 0.032199 -0.024257 0.005475 0.018782 10.644556 8.650098 -1.329107 1.693847 17.959559 -1.024567 5.324011 -0.000000 112 C 7.759364 0.763367 7.346350 -0.180706 34.506943 0.47114065E+03 0.11355815E+05 9.397240 7.379987 -0.163268 1.929698 0.997660 30.167840 89.204609 0.586201 0.433503 -1.048504 0.008595 -0.003854 -0.003899 0.010195 0.002041 -0.016513 0.006267 -0.011283 0.019760 -0.020571 0.002340 0.018231 10.998578 10.708873 -1.527447 2.118763 16.521217 -1.493099 5.765644 -0.000001 113 C 6.227918 2.521852 6.384200 -0.131075 25.898545 0.37893313E+03 0.86798870E+04 7.769766 6.522591 -0.247684 1.927120 0.997279 28.644828 83.527871 0.635105 0.421026 -1.052471 -0.002818 0.018123 0.096457 0.098185 -0.001961 -0.007427 0.048725 0.040551 0.132479 -0.064280 -0.002615 0.066894 8.977992 6.903356 -1.389237 -0.488058 12.934521 -0.993411 7.096100 -0.000000 114 C 3.628683 3.747838 8.149163 0.601785 23.685634 0.24541324E+03 0.50745772E+04 7.684053 5.620110 0.032118 2.076563 0.999584 22.249610 62.915299 0.613735 0.482640 -1.010800 -0.053696 0.039883 -0.004399 0.067032 0.015943 0.026663 0.069498 -0.038579 0.163438 -0.053968 -0.051811 0.105779 9.591173 13.015789 -0.826625 -1.292575 9.154966 -3.403360 6.602764 0.000001 115 C 4.863346 2.854531 8.418657 -0.073354 28.105501 0.42787752E+03 0.10064742E+05 8.321404 7.061981 -0.354028 1.905181 0.996775 28.196695 82.287712 0.595742 0.437084 -1.046655 0.099046 0.022716 -0.009414 0.102053 0.048276 -0.037405 -0.006294 0.029076 0.030930 -0.060533 -0.005958 0.066491 9.659012 11.441508 -1.842601 -0.498514 8.300712 -1.502340 9.234817 0.000001 116 C 5.140063 2.772180 9.918722 0.102507 23.350902 0.38400858E+03 0.88126631E+04 7.426333 6.757878 -0.381224 1.913336 0.998629 26.322887 76.466060 0.598451 0.445976 -1.038938 0.077658 0.019174 0.011877 0.080867 -0.007196 0.009937 0.006359 -0.040318 0.025961 -0.028919 0.009331 0.019588 8.007734 7.644583 -0.893522 1.166818 8.048871 -1.336821 8.329750 -0.000000 117 C 5.573092 4.090159 10.507042 -0.506387 24.741036 0.42541983E+03 0.10020300E+05 7.210655 6.657902 0.039570 1.969643 0.997360 32.809323 96.685406 0.665510 0.390740 -1.073415 -0.027685 -0.072365 -0.020740 0.080208 0.006267 -0.003600 0.026667 -0.026323 -0.038138 -0.029475 -0.005417 0.034892 7.373595 7.138833 0.041723 0.473802 7.736197 -0.412667 7.245755 -0.000000 118 C 6.148705 1.669146 10.275697 -0.504275 27.458521 0.48019471E+03 0.11589410E+05 7.723495 7.085803 0.162165 2.005596 0.997969 32.691247 95.652017 0.647247 0.392096 -1.078849 -0.058105 0.058756 -0.007182 0.082946 -0.013994 0.003865 -0.015719 -0.032855 -0.110830 -0.040254 -0.003027 0.043280 8.286073 8.134566 -1.499695 1.051025 8.505785 -1.781747 8.217869 -0.000002 119 C 4.497489 -1.900898 11.939542 0.102177 28.553409 0.34295735E+03 0.76439450E+04 8.340525 6.321581 0.013003 2.026387 0.999190 26.175013 74.701049 0.628907 0.436961 -1.045250 -0.034839 -0.009305 0.033558 0.049259 -0.015416 0.004599 -0.034538 0.009471 -0.007351 -0.038952 0.001018 0.037933 9.935593 9.605206 2.223516 -0.462341 8.248928 4.516068 11.952646 -0.000002 120 C 2.521395 -2.370594 13.013534 0.085058 27.114957 0.33145231E+03 0.73044674E+04 7.926511 6.131257 0.203808 2.078877 0.999785 26.111503 73.431104 0.653475 0.425314 -1.055258 0.036126 0.014991 -0.030018 0.049304 -0.017002 -0.008771 -0.025747 0.020475 -0.015831 -0.038793 0.014303 0.024490 9.207788 8.858129 1.520488 -0.758235 7.605890 4.207616 11.159345 -0.000002 121 C 2.192926 -3.348022 12.101943 -0.203657 31.792162 0.41894764E+03 0.97306666E+04 8.604864 6.753901 0.374680 2.095101 0.999693 29.177567 82.594084 0.645866 0.408301 -1.072532 -0.004678 0.010428 0.010464 0.015496 0.011712 0.001246 -0.002979 0.011488 -0.045204 -0.016040 -0.004546 0.020586 9.939588 8.312440 1.103437 -1.254668 8.497821 5.006673 13.008504 -0.000002 122 C 3.049480 -3.608079 11.044804 0.159281 30.631935 0.37949000E+03 0.85758933E+04 8.648689 6.569395 0.065420 2.052234 0.999300 25.041473 69.311582 0.635544 0.426463 -1.063773 -0.004760 -0.017990 -0.024138 0.030478 -0.008433 0.011012 0.002131 -0.036631 0.009643 -0.026065 0.007502 0.018563 10.648655 8.653943 2.131550 0.304057 9.370397 5.985246 13.921627 -0.000000 123 C 4.238727 -2.865057 10.986585 -0.179835 34.472520 0.47053183E+03 0.11336617E+05 9.388165 7.372768 -0.155681 1.932186 0.997463 30.149226 89.109748 0.586825 0.433215 -1.048758 0.007224 -0.002178 0.006318 0.009842 -0.012802 0.009655 -0.005035 -0.007540 0.023504 -0.018247 -0.000520 0.018767 10.987646 10.699558 2.596843 0.263916 9.738890 5.397841 12.524491 -0.000001 124 C 2.707281 -4.577546 9.944767 -0.137483 26.114423 0.38290964E+03 0.87946692E+04 7.821508 6.564784 -0.267623 1.919404 0.997236 28.776138 84.048241 0.631840 0.422062 -1.051732 -0.003473 0.075984 -0.064167 0.099514 -0.005791 0.005538 -0.060013 0.018782 0.072236 -0.062901 -0.003497 0.066398 9.043021 6.933596 0.279852 1.467848 9.480850 3.061728 10.714616 -0.000000 125 C 0.108046 -3.662037 8.000550 0.599136 23.751494 0.24621082E+03 0.50951177E+04 7.697403 5.628952 0.037754 2.077402 0.999629 22.284998 63.037057 0.613310 0.482591 -1.010842 -0.051559 -0.023076 -0.032284 0.065062 0.016260 -0.027441 -0.059977 -0.027310 0.202505 -0.054995 -0.049639 0.104634 9.608319 13.037408 -0.707522 1.363408 10.209417 2.813212 5.578131 0.000001 126 C 1.342709 -2.981995 8.639430 -0.071482 28.059513 0.42706566E+03 0.10040663E+05 8.315838 7.058369 -0.351469 1.906372 0.996938 28.156610 82.144634 0.595515 0.437467 -1.046449 0.098181 -0.018295 -0.013062 0.100722 -0.056620 -0.026460 -0.009204 -0.000058 -0.049318 -0.062553 -0.004201 0.066754 9.651387 11.432662 0.490165 1.844106 10.293941 0.344710 7.227558 0.000001 127 C 1.619425 -1.641725 7.960716 0.103352 23.339362 0.38374241E+03 0.88042941E+04 7.420178 6.752021 -0.375228 1.915280 0.998641 26.309546 76.396688 0.599228 0.445512 -1.039295 0.077429 0.001821 -0.020722 0.080174 0.012172 0.003100 0.002710 -0.028089 0.058300 -0.028383 0.007755 0.020627 8.001135 7.640473 1.454369 0.188311 9.408053 0.547676 6.954879 -0.000000 128 C 2.052455 -1.791214 6.525152 -0.504201 24.693829 0.42415523E+03 0.99831014E+04 7.200028 6.646266 0.043173 1.971134 0.997299 32.772638 96.542088 0.666352 0.390537 -1.073553 -0.026266 0.015625 0.073151 0.079279 -0.011459 -0.000527 0.002941 0.023003 0.096983 -0.032498 -0.000008 0.032505 7.363561 7.131544 0.385581 -0.272714 7.717088 0.419259 7.242050 -0.000000 129 C 2.628068 -0.781058 8.737484 -0.511382 27.596247 0.48358372E+03 0.11689805E+05 7.744338 7.106435 0.167819 2.005856 0.998085 32.784703 95.949938 0.647005 0.391618 -1.079356 -0.058165 -0.035849 -0.048277 0.083660 0.012094 0.011983 0.039753 0.006591 0.012392 -0.040681 -0.005205 0.045886 8.308874 8.155676 1.672933 0.779836 9.864675 1.020567 6.906271 -0.000003 130 C 6.257807 6.400604 4.323545 0.100999 28.572636 0.34318653E+03 0.76508904E+04 8.346395 6.325523 0.003357 2.023452 0.999137 26.189947 74.770516 0.628392 0.437214 -1.045022 -0.032934 -0.031965 0.010705 0.047127 -0.011714 -0.010326 0.019500 -0.022582 -0.096880 -0.039138 -0.000049 0.039187 9.943275 9.611145 1.512445 1.696272 7.120636 -3.865913 13.098045 -0.000002 131 C 4.281713 5.235651 4.453773 0.089530 27.022841 0.33008319E+03 0.72658450E+04 7.903696 6.114135 0.221168 2.084417 0.999798 26.057274 73.205532 0.655187 0.424696 -1.055776 0.038777 0.034773 -0.001786 0.052116 -0.001727 -0.015694 0.012315 0.000425 -0.086055 -0.036286 0.012611 0.023675 9.180237 8.833493 1.414990 0.931433 6.608405 -3.629868 12.098813 -0.000002 132 C 3.953244 5.536398 3.151500 -0.206105 31.835567 0.41972070E+03 0.97531186E+04 8.612027 6.760026 0.381540 2.096637 0.999695 29.207274 82.697317 0.645588 0.408289 -1.072540 -0.005502 -0.004489 0.014475 0.016123 0.003662 0.012132 0.009310 0.021553 -0.016607 -0.017300 -0.004074 0.021374 9.947654 8.318711 1.638902 0.328748 7.549942 -4.460214 13.974311 -0.000002 133 C 4.809798 6.321879 2.397714 0.162406 30.614644 0.37926351E+03 0.85704776E+04 8.651042 6.571657 0.067922 2.052636 0.999269 25.027522 69.297692 0.634749 0.427012 -1.063309 -0.003576 0.012568 -0.027306 0.030272 -0.011491 -0.000642 0.005008 -0.023100 0.049849 -0.024643 0.005800 0.018844 10.651610 8.656223 0.802156 2.000884 7.600458 -4.963181 15.698148 -0.000000 134 C 5.999046 6.743809 3.012080 -0.178990 34.396304 0.46907757E+03 0.11292802E+05 9.376581 7.363564 -0.154547 1.932897 0.997652 30.105041 88.943706 0.586930 0.433474 -1.048605 0.008554 -0.006764 0.002521 0.011193 -0.013359 -0.006887 -0.000943 -0.018115 -0.001449 -0.018310 0.001569 0.016741 10.974098 10.685258 1.068978 2.377470 7.145099 -3.900152 15.091936 -0.000001 135 C 4.467599 6.789806 1.008112 -0.136888 26.016865 0.38114742E+03 0.87426629E+04 7.792294 6.540947 -0.255495 1.923807 0.997230 28.721523 83.788293 0.634360 0.420939 -1.052606 -0.002654 0.092784 0.031539 0.098034 -0.006409 -0.003402 0.010936 -0.064359 -0.185602 -0.062948 -0.001791 0.064739 9.006324 6.916724 -1.122416 0.967843 7.721485 -2.046963 12.380762 -0.000000 136 C 1.868365 8.931301 0.828858 0.600624 23.709337 0.24571993E+03 0.50823010E+04 7.686780 5.622194 0.044684 2.080067 0.999632 22.265697 62.961071 0.613880 0.482395 -1.010969 -0.054374 0.016819 -0.036992 0.067881 0.032294 0.000216 -0.007963 -0.147189 -0.156503 -0.055454 -0.051376 0.106830 9.594070 13.018285 -1.532579 0.067668 4.294792 0.597330 11.469133 0.000001 137 C 3.103027 8.718036 1.737232 -0.072087 28.103964 0.42791047E+03 0.10064308E+05 8.319406 7.061398 -0.348653 1.907034 0.996765 28.178088 82.191031 0.595958 0.436978 -1.046865 0.099618 0.000959 -0.023127 0.102272 -0.010107 -0.059915 0.015241 0.009637 -0.017723 -0.059761 -0.006106 0.065868 9.655778 11.438081 -1.353406 1.347542 7.697942 1.156118 9.831311 0.000001 138 C 3.379744 9.975955 2.558583 0.106316 23.278644 0.38241938E+03 0.87655108E+04 7.405630 6.739081 -0.375169 1.915958 0.998636 26.255006 76.177374 0.600034 0.445341 -1.039496 0.076199 0.018815 -0.009014 0.079004 0.001128 0.009944 -0.006606 -0.038070 0.026317 -0.026453 0.006980 0.019473 7.984722 7.625452 0.561066 1.348108 7.079534 0.784784 9.249179 -0.000000 139 C 3.812774 11.144445 1.711340 -0.507099 24.773969 0.42621933E+03 0.10044321E+05 7.219906 6.667089 0.036094 1.968356 0.997279 32.837160 96.807421 0.664581 0.391084 -1.073128 -0.028276 -0.055400 0.050997 0.080433 -0.001543 -0.008052 -0.028267 -0.022406 -0.030031 -0.030465 -0.004024 0.034490 7.382955 7.148280 0.432124 0.197070 7.017807 -0.007917 7.982779 -0.000001 140 C 4.388386 9.733588 3.692326 -0.507218 27.542812 0.48228706E+03 0.11651675E+05 7.739291 7.101790 0.162780 2.005032 0.998022 32.747619 95.841405 0.646490 0.392158 -1.078889 -0.057416 0.021144 -0.053156 0.081051 -0.004439 0.013650 -0.025376 0.033166 0.089846 -0.040680 -0.003251 0.043930 8.302923 8.148397 0.161314 1.834412 6.759250 0.767311 10.001122 -0.000002 141 C 2.737276 9.389498 7.615997 0.102670 28.511494 0.34237683E+03 0.76270704E+04 8.328440 6.313099 0.045242 2.036950 0.999246 26.156066 74.605218 0.629855 0.436528 -1.045606 -0.034680 0.024403 0.023437 0.048451 -0.005748 0.018701 0.015233 0.035622 0.082800 -0.037935 -0.001625 0.039560 9.920363 9.590809 0.710686 -2.153591 14.913372 -0.653603 5.256909 -0.000002 142 C 0.761182 10.084755 8.559762 0.089333 27.063693 0.33065319E+03 0.72829863E+04 7.919788 6.126823 0.204169 2.079329 0.999825 26.081091 73.343395 0.653191 0.425725 -1.054927 0.036663 -0.017698 -0.027900 0.049354 -0.016480 0.010490 0.013128 0.041027 0.040393 -0.037989 0.013668 0.024321 9.199156 8.850305 0.104811 -1.694084 13.900475 -0.565162 4.846690 -0.000002 143 C 0.432713 8.806580 8.950443 -0.205072 31.843121 0.41984532E+03 0.97574302E+04 8.616774 6.763808 0.374043 2.094578 0.999708 29.204614 82.714931 0.644964 0.408625 -1.072243 -0.004843 0.016449 -0.003137 0.017432 0.006478 -0.008654 -0.006491 0.026003 -0.000265 -0.015966 -0.003715 0.019681 9.953072 8.322887 -0.535010 -1.584077 16.240393 -0.551464 5.295936 -0.000002 144 C 1.289267 7.761042 8.647091 0.162082 30.601035 0.37912459E+03 0.85660877E+04 8.646035 6.568831 0.066709 2.052598 0.999267 25.023409 69.268933 0.635155 0.426801 -1.063498 -0.003150 -0.029879 0.001943 0.030107 0.005814 0.010192 -0.008713 -0.027246 0.032199 -0.024257 0.005475 0.018782 10.644555 8.650098 1.329107 -1.693847 17.959557 -1.024566 5.324011 -0.000000 145 C 2.478514 8.082133 7.974505 -0.180706 34.506944 0.47114066E+03 0.11355815E+05 9.397240 7.379987 -0.163268 1.929697 0.997660 30.167840 89.204610 0.586201 0.433503 -1.048504 0.008595 0.003854 0.003899 0.010195 -0.002041 0.016513 0.006267 -0.011283 0.019760 -0.020571 0.002340 0.018231 10.998578 10.708873 1.527447 -2.118763 16.521218 -1.493099 5.765644 -0.000001 146 C 0.947068 6.323648 8.936655 -0.131075 25.898545 0.37893314E+03 0.86798873E+04 7.769766 6.522591 -0.247684 1.927120 0.997279 28.644828 83.527872 0.635105 0.421026 -1.052471 -0.002818 -0.018123 -0.096457 0.098185 0.001961 0.007427 0.048725 0.040551 0.132479 -0.064280 -0.002615 0.066894 8.977993 6.903356 1.389237 0.488058 12.934521 -0.993411 7.096100 -0.000000 147 C 8.909533 5.097662 7.171692 0.601785 23.685632 0.24541322E+03 0.50745767E+04 7.684052 5.620110 0.032118 2.076563 0.999584 22.249609 62.915296 0.613735 0.482640 -1.010800 -0.053696 -0.039883 0.004399 0.067032 -0.015943 -0.026663 0.069498 -0.038579 0.163438 -0.053968 -0.051811 0.105779 9.591173 13.015788 0.826625 1.292575 9.154966 -3.403360 6.602764 0.000001 148 C 10.144196 5.990969 6.902198 -0.073354 28.105503 0.42787755E+03 0.10064743E+05 8.321404 7.061982 -0.354029 1.905181 0.996775 28.196696 82.287715 0.595742 0.437084 -1.046655 0.099046 -0.022716 0.009414 0.102053 -0.048276 0.037405 -0.006294 0.029076 0.030930 -0.060533 -0.005958 0.066491 9.659013 11.441508 1.842601 0.498514 8.300713 -1.502340 9.234817 0.000001 149 C 10.420913 6.073320 5.402133 0.102507 23.350902 0.38400857E+03 0.88126629E+04 7.426333 6.757878 -0.381224 1.913336 0.998629 26.322887 76.466060 0.598451 0.445976 -1.038938 0.077658 -0.019174 -0.011877 0.080867 0.007196 -0.009937 0.006359 -0.040318 0.025960 -0.028919 0.009331 0.019588 8.007734 7.644583 0.893522 -1.166818 8.048871 -1.336821 8.329749 -0.000000 150 C 0.292242 4.755341 4.813813 -0.506387 24.741040 0.42541990E+03 0.10020303E+05 7.210656 6.657903 0.039570 1.969643 0.997360 32.809326 96.685420 0.665510 0.390740 -1.073415 -0.027685 0.072365 0.020740 0.080208 -0.006267 0.003600 0.026667 -0.026323 -0.038138 -0.029475 -0.005417 0.034892 7.373596 7.138834 -0.041724 -0.473802 7.736198 -0.412667 7.245757 -0.000001 151 C 0.867855 7.176354 5.045158 -0.504275 27.458522 0.48019475E+03 0.11589411E+05 7.723495 7.085803 0.162165 2.005596 0.997969 32.691248 95.652021 0.647247 0.392096 -1.078849 -0.058105 -0.058756 0.007182 0.082946 0.013994 -0.003865 -0.015719 -0.032855 -0.110830 -0.040254 -0.003027 0.043280 8.286073 8.134566 1.499695 -1.051025 8.505785 -1.781747 8.217869 -0.000002 152 C 9.778339 10.746398 3.381313 0.102177 28.553410 0.34295738E+03 0.76439457E+04 8.340525 6.321581 0.013003 2.026387 0.999190 26.175014 74.701052 0.628907 0.436961 -1.045250 -0.034839 0.009305 -0.033558 0.049259 0.015416 -0.004599 -0.034538 0.009471 -0.007351 -0.038952 0.001018 0.037933 9.935594 9.605207 -2.223516 0.462341 8.248928 4.516068 11.952646 -0.000002 153 C 7.802245 11.216094 2.307321 0.085058 27.114957 0.33145231E+03 0.73044675E+04 7.926511 6.131257 0.203808 2.078877 0.999785 26.111503 73.431105 0.653475 0.425314 -1.055258 0.036126 -0.014991 0.030018 0.049304 0.017002 0.008771 -0.025747 0.020475 -0.015831 -0.038793 0.014303 0.024490 9.207788 8.858129 -1.520488 0.758235 7.605891 4.207616 11.159345 -0.000002 154 C 7.473776 12.193522 3.218912 -0.203657 31.792161 0.41894763E+03 0.97306662E+04 8.604863 6.753901 0.374680 2.095102 0.999693 29.177567 82.594081 0.645866 0.408301 -1.072532 -0.004678 -0.010428 -0.010464 0.015496 -0.011712 -0.001246 -0.002979 0.011488 -0.045205 -0.016040 -0.004546 0.020586 9.939587 8.312439 -1.103437 1.254668 8.497820 5.006672 13.008502 -0.000002 155 C 8.330330 12.453579 4.276051 0.159281 30.631933 0.37948998E+03 0.85758926E+04 8.648689 6.569395 0.065420 2.052234 0.999300 25.041472 69.311579 0.635544 0.426463 -1.063773 -0.004760 0.017990 0.024138 0.030478 0.008433 -0.011012 0.002131 -0.036631 0.009643 -0.026065 0.007502 0.018563 10.648655 8.653943 -2.131550 -0.304057 9.370396 5.985245 13.921626 -0.000000 156 C 9.519577 11.710557 4.334270 -0.179835 34.472520 0.47053182E+03 0.11336616E+05 9.388164 7.372768 -0.155681 1.932186 0.997463 30.149226 89.109746 0.586825 0.433215 -1.048758 0.007224 0.002178 -0.006318 0.009842 0.012802 -0.009655 -0.005035 -0.007540 0.023504 -0.018247 -0.000520 0.018767 10.987646 10.699558 -2.596843 -0.263916 9.738889 5.397841 12.524491 -0.000001 157 C 7.988131 13.423046 5.376088 -0.137483 26.114424 0.38290966E+03 0.87946698E+04 7.821508 6.564784 -0.267623 1.919404 0.997236 28.776139 84.048241 0.631840 0.422062 -1.051732 -0.003473 -0.075984 0.064167 0.099514 0.005791 -0.005538 -0.060013 0.018782 0.072236 -0.062901 -0.003497 0.066398 9.043020 6.933596 -0.279852 -1.467848 9.480850 3.061727 10.714615 -0.000000 158 C 5.388896 12.507537 7.320305 0.599136 23.751494 0.24621082E+03 0.50951178E+04 7.697403 5.628952 0.037754 2.077402 0.999629 22.284998 63.037057 0.613310 0.482591 -1.010842 -0.051559 0.023076 0.032284 0.065062 -0.016260 0.027441 -0.059977 -0.027310 0.202505 -0.054995 -0.049639 0.104634 9.608319 13.037409 0.707522 -1.363408 10.209417 2.813212 5.578131 0.000001 159 C 6.623559 11.827495 6.681425 -0.071482 28.059512 0.42706564E+03 0.10040662E+05 8.315838 7.058369 -0.351469 1.906372 0.996938 28.156609 82.144629 0.595515 0.437467 -1.046449 0.098181 0.018295 0.013062 0.100722 0.056620 0.026460 -0.009204 -0.000058 -0.049318 -0.062553 -0.004201 0.066754 9.651386 11.432661 -0.490165 -1.844106 10.293940 0.344710 7.227558 0.000001 160 C 6.900275 10.487225 7.360139 0.103352 23.339363 0.38374241E+03 0.88042944E+04 7.420178 6.752021 -0.375229 1.915280 0.998641 26.309547 76.396694 0.599228 0.445512 -1.039295 0.077429 -0.001821 0.020722 0.080175 -0.012172 -0.003100 0.002710 -0.028089 0.058300 -0.028383 0.007755 0.020627 8.001136 7.640473 -1.454370 -0.188311 9.408054 0.547677 6.954879 -0.000000 161 C 7.333305 10.636714 8.795703 -0.504201 24.693835 0.42415538E+03 0.99831055E+04 7.200029 6.646267 0.043173 1.971134 0.997299 32.772638 96.542084 0.666352 0.390537 -1.073553 -0.026266 -0.015625 -0.073151 0.079279 0.011459 0.000527 0.002941 0.023003 0.096983 -0.032498 -0.000008 0.032505 7.363562 7.131544 -0.385582 0.272715 7.717091 0.419260 7.242050 -0.000001 162 C 7.908918 9.626558 6.583371 -0.511382 27.596250 0.48358379E+03 0.11689807E+05 7.744339 7.106435 0.167819 2.005856 0.998085 32.784706 95.949950 0.647005 0.391618 -1.079356 -0.058165 0.035849 0.048277 0.083660 -0.012094 -0.011983 0.039753 0.006591 0.012392 -0.040681 -0.005205 0.045886 8.308875 8.155676 -1.672933 -0.779836 9.864676 1.020567 6.906272 -0.000002 163 N 0.115123 3.187034 10.266505 -0.209506 35.695844 0.49398774E+03 0.11762985E+05 9.014360 7.167335 0.018737 2.044930 0.998135 27.108061 73.673588 0.659590 0.389969 -1.102728 -0.020797 -0.038606 0.128033 0.135334 -0.026357 0.017130 0.014164 0.053479 -0.159556 -0.061640 -0.003468 0.065108 10.520077 11.125055 -2.170808 -1.006050 8.066845 -3.988772 12.368331 -0.000002 164 N 9.539327 0.580353 14.391339 -0.332818 31.435989 0.53168687E+03 0.13119172E+05 8.900608 7.870793 -0.696176 1.797018 0.997103 30.006307 87.807567 0.568124 0.436931 -1.053559 -0.066170 0.089702 -0.099398 0.149348 0.035030 0.035086 0.039520 -0.057062 -0.315695 -0.118840 0.008952 0.109888 10.015672 10.789764 2.395493 1.242142 9.165825 0.002725 10.091427 0.000001 165 N 7.156291 -1.547963 7.427551 -0.210062 35.727510 0.49452662E+03 0.11779318E+05 9.019651 7.171074 0.026044 2.046781 0.998245 27.124994 73.736510 0.659425 0.389951 -1.102714 -0.023170 0.128672 -0.032284 0.134668 0.027135 0.014004 0.015332 0.107728 -0.002173 -0.062257 -0.002964 0.065220 10.526789 11.128817 0.210153 2.383419 14.760791 0.130382 5.690759 -0.000002 166 N 6.018796 3.327589 7.622585 -0.337773 31.561251 0.53434637E+03 0.13201811E+05 8.922724 7.889087 -0.698423 1.795297 0.997141 30.091798 88.126767 0.567588 0.436779 -1.053605 -0.067293 -0.129720 -0.027718 0.148741 0.013345 -0.049703 0.059639 0.119133 0.206786 -0.119362 0.008385 0.110977 10.042891 10.818465 -0.121985 -2.706477 9.885866 -0.408202 9.424341 0.000001 167 N 3.635654 -1.639071 12.947655 -0.206184 35.584538 0.49213510E+03 0.11707658E+05 8.996790 7.154467 0.022743 2.046607 0.998230 27.054312 73.488040 0.660114 0.390033 -1.102702 -0.023981 -0.092528 -0.096198 0.135612 0.002558 -0.032744 -0.030668 0.082882 -0.080160 -0.062211 -0.005900 0.068111 10.497874 11.104746 1.952762 -1.375670 7.822178 3.844931 12.566699 -0.000002 168 N 2.498159 -3.907942 8.627786 -0.330267 31.345116 0.52975333E+03 0.13058460E+05 8.878064 7.851280 -0.695382 1.798336 0.997063 29.937673 87.538991 0.569442 0.436354 -1.053996 -0.064615 0.044263 0.127782 0.149874 -0.047668 0.011995 -0.099968 0.048958 -0.006695 -0.118831 0.010203 0.108629 9.989002 10.762828 -2.265067 1.447684 9.835478 0.395852 9.368700 0.000001 169 N 5.395973 5.658466 5.054350 -0.209506 35.695845 0.49398774E+03 0.11762986E+05 9.014361 7.167336 0.018737 2.044930 0.998135 27.108061 73.673591 0.659590 0.389969 -1.102728 -0.020797 0.038606 -0.128033 0.135334 0.026357 -0.017130 0.014164 0.053479 -0.159556 -0.061640 -0.003468 0.065108 10.520078 11.125056 2.170808 1.006050 8.066846 -3.988773 12.368332 -0.000002 170 N 4.258477 8.265147 0.929516 -0.332818 31.435989 0.53168686E+03 0.13119172E+05 8.900608 7.870793 -0.696176 1.797018 0.997103 30.006307 87.807567 0.568124 0.436931 -1.053559 -0.066170 -0.089702 0.099398 0.149348 -0.035030 -0.035086 0.039520 -0.057062 -0.315695 -0.118840 0.008952 0.109888 10.015672 10.789764 -2.395493 -1.242142 9.165825 0.002725 10.091427 0.000001 171 N 1.875441 10.393463 7.893304 -0.210062 35.727512 0.49452665E+03 0.11779319E+05 9.019651 7.171074 0.026044 2.046781 0.998245 27.124995 73.736513 0.659425 0.389951 -1.102714 -0.023170 -0.128672 0.032284 0.134668 -0.027135 -0.014004 0.015332 0.107728 -0.002173 -0.062257 -0.002964 0.065220 10.526790 11.128818 -0.210153 -2.383419 14.760792 0.130382 5.690760 -0.000002 172 N 0.737946 5.517911 7.698270 -0.337773 31.561250 0.53434635E+03 0.13201811E+05 8.922724 7.889087 -0.698423 1.795297 0.997141 30.091798 88.126768 0.567588 0.436779 -1.053605 -0.067293 0.129720 0.027718 0.148742 -0.013345 0.049703 0.059639 0.119133 0.206786 -0.119362 0.008385 0.110977 10.042891 10.818464 0.121985 2.706477 9.885866 -0.408202 9.424341 0.000001 173 N 8.916504 10.484571 2.373200 -0.206184 35.584538 0.49213510E+03 0.11707658E+05 8.996791 7.154467 0.022743 2.046607 0.998230 27.054312 73.488042 0.660114 0.390033 -1.102702 -0.023981 0.092528 0.096198 0.135612 -0.002558 0.032744 -0.030668 0.082882 -0.080160 -0.062211 -0.005900 0.068111 10.497875 11.104747 -1.952762 1.375670 7.822179 3.844931 12.566699 -0.000002 174 N 7.779009 12.753442 6.693069 -0.330267 31.345116 0.52975335E+03 0.13058460E+05 8.878064 7.851280 -0.695382 1.798336 0.997063 29.937673 87.538990 0.569442 0.436354 -1.053996 -0.064615 -0.044263 -0.127782 0.149875 0.047668 -0.011995 -0.099967 0.048958 -0.006695 -0.118831 0.010203 0.108629 9.989002 10.762828 2.265067 -1.447684 9.835478 0.395852 9.368700 0.000001 175 Cl 9.306759 6.891618 2.008104 -0.544190 127.433443 0.38034160E+04 0.14347326E+06 16.953511 16.562199 1.845628 2.203980 0.999764 74.667005 216.755404 0.600365 0.270454 -1.270636 0.004666 -0.123120 0.077428 0.145518 0.020563 0.027415 -0.129993 -0.103922 0.017100 -0.121849 -0.037369 0.159218 17.597084 16.240685 0.412059 0.083936 15.680245 -6.135520 20.870322 -0.000009 176 Cl 5.786227 7.138761 8.348487 -0.544463 127.444786 0.38040795E+04 0.14350416E+06 16.954031 16.563146 1.844112 2.203575 0.999776 74.673306 216.776221 0.600377 0.270438 -1.270659 0.003871 0.129270 0.068320 0.146265 0.014261 -0.031184 0.083253 -0.182579 -0.222127 -0.121312 -0.036888 0.158200 17.596941 16.243009 -0.132135 -0.398440 24.884170 0.821810 11.663645 -0.000009 177 Cl 2.265590 12.506122 4.964263 -0.544926 127.499066 0.38062367E+04 0.14360617E+06 16.958431 16.567413 1.839639 2.202341 0.999786 74.690160 216.842120 0.600322 0.270424 -1.270673 0.004513 -0.005356 -0.146707 0.146874 -0.033996 0.003663 0.046097 0.039974 0.449049 -0.120856 -0.037258 0.158115 17.600802 16.244048 -0.278434 0.316043 14.261770 5.313036 22.296589 -0.000009 178 Cl 4.025909 1.953882 13.312751 -0.544190 127.433438 0.38034158E+04 0.14347325E+06 16.953510 16.562199 1.845628 2.203980 0.999764 74.667003 216.755397 0.600365 0.270454 -1.270636 0.004666 0.123120 -0.077428 0.145518 -0.020563 -0.027415 -0.129993 -0.103922 0.017100 -0.121849 -0.037369 0.159218 17.597084 16.240685 -0.412059 -0.083935 15.680245 -6.135520 20.870321 -0.000009 179 Cl 0.505377 1.706739 6.972368 -0.544463 127.444776 0.38040791E+04 0.14350414E+06 16.954030 16.563145 1.844112 2.203575 0.999776 74.673304 216.776211 0.600377 0.270438 -1.270659 0.003871 -0.129271 -0.068320 0.146265 -0.014261 0.031184 0.083253 -0.182579 -0.222127 -0.121312 -0.036888 0.158200 17.596940 16.243008 0.132135 0.398440 24.884169 0.821810 11.663644 -0.000009 180 Cl 7.546440 -3.660622 10.356592 -0.544927 127.499063 0.38062365E+04 0.14360616E+06 16.958431 16.567412 1.839639 2.202341 0.999786 74.690159 216.842115 0.600322 0.270424 -1.270673 0.004513 0.005356 0.146707 0.146874 0.033997 -0.003663 0.046097 0.039974 0.449049 -0.120856 -0.037258 0.158115 17.600802 16.244047 0.278434 -0.316043 14.261770 5.313036 22.296588 -0.000009 181 O 7.266450 8.875575 0.404777 -0.552714 39.112677 0.57646052E+03 0.14069595E+05 9.129322 7.428606 0.423675 2.201985 0.994001 27.277218 71.712979 0.699065 0.358985 -1.141588 -0.000004 -0.013486 -0.014764 0.019996 -0.007480 0.040015 0.005766 -0.065840 0.079763 -0.064904 0.020413 0.044491 11.017405 10.666890 1.149286 1.243128 5.532473 1.168563 16.852853 -0.000001 182 O 6.088820 -0.343736 13.881920 -0.565940 47.551535 0.62231295E+03 0.15532650E+05 10.538987 7.793697 0.055304 2.067035 0.995183 28.159580 75.667233 0.670440 0.366024 -1.132365 -0.000288 0.006670 0.025752 0.026603 -0.007339 0.050067 0.013584 0.020387 -0.151525 -0.076117 0.017641 0.058476 13.344712 23.452982 2.701971 3.938839 6.268447 1.169219 10.312706 -0.000001 183 O 3.745918 4.758260 7.431994 -0.553091 39.129052 0.57680532E+03 0.14080298E+05 9.132476 7.431164 0.423207 2.201779 0.994003 27.282356 71.735350 0.698888 0.359018 -1.141548 0.000198 -0.005637 0.019034 0.019852 0.037971 -0.012935 -0.005965 -0.064947 0.079610 -0.064188 0.020375 0.043813 11.021456 10.673425 0.499711 -1.616724 13.014814 -5.487253 9.376128 -0.000001 184 O 2.568289 3.348464 8.677579 -0.565881 47.512645 0.62171591E+03 0.15513382E+05 10.532226 7.788890 0.058476 2.068315 0.995328 28.145692 75.609041 0.670813 0.365924 -1.132489 -0.000604 0.019275 -0.018469 0.026702 0.047623 -0.018919 0.021334 0.080535 0.030646 -0.076162 0.017337 0.058825 13.336663 23.439792 2.057597 -4.307343 8.283368 -2.333749 8.286829 -0.000001 185 O 0.225281 12.902665 7.484084 -0.552119 38.954649 0.57366467E+03 0.13981742E+05 9.097855 7.404587 0.439555 2.207650 0.994089 27.231708 71.499601 0.701178 0.358406 -1.142262 -0.000104 0.019332 -0.004296 0.019804 -0.030567 -0.026555 -0.000800 -0.076887 0.048289 -0.065124 0.021096 0.044029 10.976902 10.619312 -1.642182 0.371947 14.984686 4.301909 7.326707 -0.000001 186 O 9.609352 -3.004728 8.082211 -0.564005 47.484090 0.62136125E+03 0.15503065E+05 10.529576 7.787906 0.054396 2.066887 0.995240 28.138603 75.598280 0.670663 0.366040 -1.132345 0.001432 -0.027368 -0.007658 0.028456 -0.041832 -0.032112 -0.035604 0.058666 -0.040728 -0.078191 0.017601 0.060591 13.330721 23.427664 -4.755394 0.370831 10.302957 1.164385 6.261543 -0.000001 187 O 1.985600 -0.030075 14.916078 -0.552714 39.112674 0.57646047E+03 0.14069593E+05 9.129322 7.428606 0.423675 2.201985 0.994001 27.277217 71.712976 0.699065 0.358985 -1.141588 -0.000004 0.013486 0.014764 0.019996 0.007480 -0.040015 0.005766 -0.065840 0.079763 -0.064904 0.020413 0.044491 11.017405 10.666890 -1.149286 -1.243128 5.532473 1.168563 16.852852 -0.000001 188 O 0.807970 9.189236 1.438935 -0.565940 47.551536 0.62231295E+03 0.15532650E+05 10.538987 7.793698 0.055304 2.067035 0.995183 28.159580 75.667234 0.670440 0.366024 -1.132365 -0.000288 -0.006670 -0.025752 0.026603 0.007339 -0.050067 0.013584 0.020387 -0.151525 -0.076117 0.017641 0.058476 13.344712 23.452983 -2.701971 -3.938839 6.268447 1.169219 10.312706 -0.000001 189 O 9.026768 4.087240 7.888861 -0.553091 39.129049 0.57680527E+03 0.14080296E+05 9.132475 7.431164 0.423207 2.201779 0.994003 27.282355 71.735346 0.698888 0.359018 -1.141548 0.000198 0.005637 -0.019034 0.019852 -0.037971 0.012935 -0.005965 -0.064947 0.079610 -0.064188 0.020375 0.043813 11.021455 10.673424 -0.499710 1.616724 13.014814 -5.487253 9.376128 -0.000001 190 O 7.849139 5.497036 6.643276 -0.565881 47.512644 0.62171590E+03 0.15513382E+05 10.532226 7.788889 0.058476 2.068315 0.995328 28.145692 75.609039 0.670813 0.365924 -1.132489 -0.000604 -0.019275 0.018469 0.026702 -0.047623 0.018919 0.021334 0.080535 0.030646 -0.076162 0.017337 0.058825 13.336662 23.439790 -2.057597 4.307343 8.283368 -2.333749 8.286828 -0.000001 191 O 5.506131 -4.057165 7.836771 -0.552119 38.954647 0.57366462E+03 0.13981740E+05 9.097855 7.404587 0.439555 2.207650 0.994089 27.231707 71.499598 0.701178 0.358406 -1.142262 -0.000104 -0.019332 0.004296 0.019804 0.030567 0.026555 -0.000800 -0.076887 0.048289 -0.065124 0.021096 0.044029 10.976901 10.619312 1.642182 -0.371947 14.984686 4.301908 7.326706 -0.000001 192 O 4.328502 11.850228 7.238644 -0.564005 47.484088 0.62136121E+03 0.15503064E+05 10.529576 7.787906 0.054396 2.066887 0.995240 28.138602 75.598278 0.670663 0.366040 -1.132345 0.001432 0.027369 0.007658 0.028456 0.041832 0.032112 -0.035604 0.058666 -0.040728 -0.078191 0.017601 0.060591 13.330721 23.427664 4.755394 -0.370831 10.302956 1.164385 6.261543 -0.000001 ****************************************************** Auxiliary information for the entire system The total spin magnetic moment of the unit cell is -0.000165 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= 205770 The rms potential error without charges in kcal/mol is= 4.52057 The rms potential error with partial charges in kcal/mol is= 0.54047 The RRMSE value at monopole order= 0.11956 The rms potential error with partial charges and cloud penetration in kcal/mol is= 0.53971 The RRMSE value at monopole order with cloud penetration is= 0.11939 The rms potential error with partial charges and atomic dipoles in kcal/mol is= 0.20912 The RRMSE value at dipole order= 0.04626 The rms potential error with partial charges, atomic dipoles and cloud penetration in kcal/mol is= 0.20838 The RRMSE value at dipole order with cloud penetration= 0.04610 ****************************************************** 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.