216 jmolscript: load "" {1 1 1} spacegroup "x,y,z" unitcell [{ 12.448600 0.000000 0.000000 }, { 0.000000 15.036000 0.000000 }, { -0.600617 0.000000 16.585228 }] Al 6.298819 7.770454 4.208833 1.558956 Al 5.998511 14.783546 12.501447 1.558967 Al 5.849472 0.252454 4.083781 1.558959 Al 5.549164 7.265546 12.376395 1.558966 Cu 11.705806 7.196681 12.745914 0.553432 Cu 12.006114 0.321319 4.453300 0.553573 Cu -0.158131 14.714681 12.131928 0.553424 Cu 0.142177 7.839319 3.839314 0.553606 H 6.739835 7.200740 7.317403 0.132398 H 7.862466 6.922574 9.317581 0.113458 H 11.174610 8.594578 7.713790 0.115559 H 10.043445 8.880262 5.708635 0.124736 H 3.640932 6.471494 3.239095 0.126295 H 1.935272 4.910758 3.038414 0.115562 H 2.965027 3.356035 6.640725 0.117041 H 4.636716 4.952858 6.851358 0.135073 H 3.309807 8.878758 4.854496 0.121598 H 1.651025 10.462049 5.181225 0.109249 H 3.759369 13.109888 2.993634 0.103033 H 5.435923 11.543137 2.691783 0.131726 H 10.656284 8.148008 1.160966 0.110144 H 9.107637 8.006670 2.880854 0.125978 H 7.482343 6.226408 15.276654 0.114010 H 6.547826 6.067026 0.416289 0.135531 H 6.439526 0.317260 15.610017 0.132414 H 8.162775 0.595426 1.024967 0.113459 H 10.874301 13.959422 16.006404 0.115579 H 9.743136 13.673738 14.001249 0.124761 H 3.340623 1.046506 11.531709 0.126284 H 1.634963 2.607242 11.331028 0.115540 H 2.664719 4.161965 14.933339 0.117014 H 4.336407 2.565142 15.143972 0.135043 H 3.009499 13.675242 13.147110 0.121592 H 1.350717 12.091951 13.473839 0.109228 H 3.459060 9.444112 11.286248 0.103017 H 5.135614 11.010863 10.984397 0.131710 H 10.355975 14.405992 9.453580 0.110159 H 8.807328 14.547330 11.173468 0.125998 H 7.782651 1.291592 6.984040 0.114005 H 6.247518 1.450974 8.708903 0.135551 H 5.408457 14.718740 0.975211 0.132398 H 3.685208 14.440574 15.560261 0.113458 H 0.973682 1.076578 0.578824 0.115558 H 2.104847 1.362262 2.583979 0.124737 H 8.507360 13.989494 5.053519 0.126298 H 10.213020 12.428758 5.254200 0.115565 H 9.183264 10.874035 1.651889 0.117044 H 7.511576 12.470858 1.441256 0.135076 H 8.838484 1.360758 3.438118 0.121597 H 10.497266 2.944049 3.111389 0.109248 H 8.388923 5.591888 5.298980 0.103034 H 6.712369 4.025137 5.600831 0.131727 H 1.492008 0.630008 7.131648 0.110147 H 3.040655 0.488670 5.411760 0.125981 H 4.065332 13.744408 9.601188 0.114012 H 5.600465 13.585026 7.876325 0.135537 H 5.108148 7.835260 9.267825 0.132415 H 3.985517 8.113426 7.267647 0.113460 H 0.673373 6.441422 8.871438 0.115577 H 1.804538 6.155738 10.876593 0.124762 H 8.207051 8.564506 13.346133 0.126285 H 9.912711 10.125242 13.546814 0.115539 H 8.882956 11.679965 9.944503 0.117013 H 7.211267 10.083142 9.733870 0.135042 H 8.538176 6.157242 11.730732 0.121593 H 10.196958 4.573951 11.404003 0.109228 H 8.088614 1.926112 13.591594 0.103018 H 6.412060 3.492863 13.893445 0.131712 H 1.191699 6.887992 15.424262 0.110155 H 2.740346 7.029330 13.704374 0.125996 H 4.365640 8.809592 1.308574 0.114002 H 5.300157 8.968974 16.168939 0.135544 C 8.275921 8.079294 6.312172 0.404160 C 7.640720 7.489582 7.397012 -0.240755 C 8.308651 7.323284 8.581197 -0.089513 C 9.626928 7.730459 8.719518 0.004412 C 10.269942 8.313404 7.635507 -0.106582 C 9.597170 8.482409 6.447507 -0.217986 C 10.311514 7.533337 9.959429 0.296006 C 4.319414 5.860882 5.053187 0.394754 C 3.501335 5.836674 3.931362 -0.228100 C 2.495043 4.909404 3.806144 -0.093200 C 2.297469 3.963640 4.817179 0.010754 C 3.102153 3.991156 5.947960 -0.094104 C 4.097397 4.933763 6.068867 -0.219298 C 1.314487 2.928411 4.677366 0.302094 C 4.560072 10.064647 3.777120 0.405708 C 3.412639 9.749944 4.489953 -0.247107 C 2.423741 10.683529 4.675044 -0.095884 C 2.550734 11.950162 4.124580 0.011261 C 3.672956 12.248326 3.386040 -0.090789 C 4.670333 11.321958 3.207417 -0.214771 C 1.541787 12.950206 4.313320 0.313602 C 7.669048 7.008280 1.836648 0.404101 C 9.820182 7.722941 1.011201 -0.103468 C 8.900626 7.634980 2.031525 -0.246778 C 8.923724 7.189764 16.346898 0.000895 C 7.694075 6.580656 16.133115 -0.096273 C 7.383736 6.489237 0.571361 -0.213175 C 9.863122 7.255772 15.259902 0.302071 C 7.975613 14.474706 14.604786 0.404178 C 7.340412 0.028418 15.689626 -0.240736 C 8.608960 0.194716 0.288583 -0.089509 C 9.927237 14.823541 0.426904 0.004397 C 9.969633 14.240596 15.928121 -0.106561 C 9.296861 14.071591 14.740121 -0.217955 C 10.611823 -0.015337 1.666815 0.296048 C 4.019105 1.657118 13.345801 0.394746 C 3.201026 1.681326 12.223976 -0.228111 C 2.194735 2.608596 12.098758 -0.093205 C 1.997161 3.554360 13.109793 0.010750 C 2.801844 3.526844 14.240574 -0.094117 C 3.797088 2.584237 14.361481 -0.219295 C 1.014179 4.589589 12.969980 0.302052 C 4.259764 12.489353 12.069734 0.405697 C 3.112330 12.804056 12.782567 -0.247119 C 2.123433 11.870471 12.967658 -0.095888 C 2.250425 10.603838 12.417194 0.011251 C 3.372648 10.305674 11.678654 -0.090819 C 4.370025 11.232042 11.500031 -0.214783 C 1.241478 9.603794 12.605934 0.313561 C 7.368739 0.509720 10.129262 0.404119 C 9.519873 14.831059 9.303815 -0.103434 C 8.600318 14.919020 10.324139 -0.246746 C 9.224032 0.328236 8.054284 0.000884 C 7.994383 0.937344 7.840501 -0.096270 C 7.083428 1.028763 8.863975 -0.213169 C 10.163430 0.262228 6.967288 0.302126 C 3.872370 0.561294 1.980442 0.404160 C 4.507571 -0.028418 0.895602 -0.240757 C 3.239023 14.841284 16.296645 -0.089512 C 1.920746 0.212459 16.158324 0.004411 C 1.878350 0.795404 0.657107 -0.106580 C 2.551122 0.964409 1.845107 -0.217982 C 1.236160 0.015337 14.918413 0.296006 C 7.828878 13.378882 3.239427 0.394757 C 8.646957 13.354674 4.361252 -0.228098 C 9.653248 12.427404 4.486470 -0.093194 C 9.850822 11.481640 3.475435 0.010754 C 9.046139 11.509156 2.344654 -0.094097 C 8.050895 12.451763 2.223747 -0.219295 C 10.833804 10.446411 3.615248 0.302107 C 7.588219 2.546647 4.515494 0.405708 C 8.735653 2.231944 3.802661 -0.247105 C 9.724550 3.165529 3.617570 -0.095879 C 9.597558 4.432162 4.168034 0.011260 C 8.475335 4.730326 4.906574 -0.090790 C 7.477958 3.803958 5.085197 -0.214769 C 10.606505 5.432206 3.979294 0.313612 C 4.479244 14.526280 6.455966 0.404102 C 2.328110 0.204941 7.281413 -0.103463 C 3.247665 0.116980 6.261089 -0.246772 C 2.623951 14.707764 8.530944 0.000896 C 3.853600 14.098656 8.744727 -0.096270 C 4.764555 14.007237 7.721253 -0.213176 C 1.684553 14.773772 9.617940 0.302074 C 3.572062 6.956706 10.273056 0.404179 C 4.207263 7.546418 9.188216 -0.240735 C 3.539332 7.712716 8.004031 -0.089507 C 2.221055 7.305541 7.865710 0.004396 C 1.578041 6.722596 8.949721 -0.106560 C 2.250813 6.553591 10.137721 -0.217954 C 1.536469 7.502663 6.625799 0.296057 C 7.528569 9.175118 11.532041 0.394747 C 8.346648 9.199326 12.653866 -0.228110 C 9.352940 10.126596 12.779084 -0.093203 C 9.550514 11.072360 11.768049 0.010748 C 8.745830 11.044844 10.637268 -0.094119 C 7.750586 10.102237 10.516361 -0.219296 C 10.533496 12.107589 11.907862 0.302052 C 7.287911 4.971353 12.808108 0.405699 C 8.435344 5.286056 12.095275 -0.247117 C 9.424242 4.352471 11.910184 -0.095887 C 9.297249 3.085838 12.460648 0.011250 C 8.175027 2.787674 13.199188 -0.090818 C 7.177650 3.714042 13.377811 -0.214781 C 10.306196 2.085794 12.271908 0.313563 C 4.178935 8.027720 14.748580 0.404116 C 2.027801 7.313059 15.574027 -0.103436 C 2.947357 7.401020 14.553703 -0.246748 C 2.924259 7.846236 0.238330 0.000879 C 4.153908 8.455344 0.452113 -0.096272 C 4.464247 8.546763 16.013867 -0.213168 C 1.984861 7.780228 1.325326 0.302134 N 10.560309 7.253667 14.354017 -0.414703 N 0.575192 2.058729 4.594108 -0.408524 N 0.782758 13.786508 4.431241 -0.414558 N 10.826497 7.350499 10.960182 -0.402136 N 10.860618 0.264333 6.061403 -0.414738 N 0.274884 5.459271 12.886722 -0.408522 N 0.482449 8.767492 12.723855 -0.414560 N 11.126806 0.167501 2.667568 -0.402168 N 0.987365 14.771667 10.523825 -0.414694 N 11.573099 9.576729 3.698506 -0.408519 N 11.365534 6.268508 3.861373 -0.414556 N 0.721177 14.868499 13.917660 -0.402133 N 1.287674 7.782333 2.231211 -0.414750 N 11.272791 12.977271 11.991120 -0.408519 N 11.065225 1.249492 12.153987 -0.414554 N 1.021486 7.685501 5.625046 -0.402173 O 7.668269 8.279122 5.144406 -0.658530 O 5.299088 6.762591 5.205274 -0.670727 O 5.542159 9.188650 3.591034 -0.669491 O 6.774229 6.857769 2.806386 -0.657243 O 7.367961 14.274878 13.437020 -0.658499 O 4.998780 0.755409 13.497888 -0.670747 O 5.241850 13.365350 11.883648 -0.669515 O 6.473921 0.660231 11.099000 -0.657212 O 4.480022 0.761122 3.148208 -0.658529 O 6.849203 14.280591 3.087340 -0.670723 O 6.606133 1.670650 4.701580 -0.669492 O 5.374062 14.375769 5.486228 -0.657242 O 4.179714 6.756878 11.440822 -0.658497 O 6.548895 8.273409 11.379954 -0.670747 O 6.305824 5.847350 12.994194 -0.669512 O 5.073754 8.178231 13.778842 -0.657214 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 Al 6.298819 7.770454 4.208833 1.558956 54.742781 0.78940814E+03 0.21901650E+05 14.184429 10.737083 -0.399496 1.777539 0.999958 32.604218 107.456045 0.403115 0.547649 -0.977514 0.015417 0.010796 -0.004791 0.019422 0.033525 -0.018733 -0.005904 -0.039554 0.033549 -0.047676 0.006812 0.040864 17.202086 18.564545 -2.269091 0.401443 16.489901 -0.627050 16.551810 0.000002 2 Al 5.998511 14.783546 12.501447 1.558967 54.742682 0.78940667E+03 0.21901600E+05 14.184418 10.737077 -0.399498 1.777539 0.999958 32.604171 107.455882 0.403114 0.547649 -0.977513 0.015422 -0.010794 -0.004791 0.019424 -0.033525 -0.018728 0.005892 -0.039546 0.033550 -0.047674 0.006822 0.040852 17.202073 18.564535 2.269121 0.401423 16.489978 0.627069 16.551708 -0.000005 3 Al 5.849472 0.252454 4.083781 1.558959 54.742832 0.78940916E+03 0.21901684E+05 14.184433 10.737087 -0.399495 1.777539 0.999958 32.604232 107.456085 0.403115 0.547649 -0.977514 -0.015418 0.010796 0.004791 0.019422 -0.033525 -0.018736 0.005903 -0.039556 0.033548 -0.047677 0.006812 0.040865 17.202087 18.564532 2.269097 0.401430 16.489906 0.627043 16.551825 -0.000001 4 Al 5.549164 7.265546 12.376395 1.558966 54.742659 0.78940674E+03 0.21901602E+05 14.184416 10.737079 -0.399498 1.777539 0.999958 32.604169 107.455876 0.403114 0.547650 -0.977513 -0.015422 -0.010793 0.004792 0.019424 0.033525 -0.018726 -0.005894 -0.039546 0.033547 -0.047673 0.006820 0.040853 17.202067 18.564534 -2.269115 0.401431 16.489968 -0.627073 16.551699 -0.000003 5 Cu 11.705806 7.196681 12.745914 0.553432 105.968873 0.15312574E+04 0.46250491E+05 19.019455 13.632378 1.091648 2.180008 0.997166 47.966754 126.728569 0.445566 0.455120 -1.109841 0.002051 -0.002330 0.000754 0.003195 0.000734 0.000553 -0.010855 0.004850 0.008458 -0.011927 0.001081 0.010846 24.124819 26.521728 -0.278892 -0.325177 22.511570 -2.276693 23.341160 0.000117 6 Cu 12.006114 0.321319 4.453300 0.553573 105.954046 0.15310061E+04 0.46240846E+05 19.017636 13.631171 1.091608 2.180040 0.997165 47.963186 126.714920 0.445591 0.455115 -1.109848 0.002063 0.002333 0.000754 0.003204 -0.000735 0.000552 0.010847 0.004889 0.008480 -0.011931 0.001096 0.010835 24.122413 26.518981 0.278861 -0.325156 22.509260 2.276421 23.338998 0.000234 7 Cu -0.158131 14.714681 12.131928 0.553424 105.968046 0.15312466E+04 0.46250101E+05 19.019419 13.632375 1.091545 2.179982 0.997166 47.966457 126.727872 0.445563 0.455123 -1.109838 -0.002051 -0.002334 -0.000751 0.003197 -0.000736 0.000550 0.010855 0.004854 0.008451 -0.011927 0.001084 0.010844 24.124749 26.521654 0.278897 -0.325181 22.511511 2.276682 23.341083 0.000138 8 Cu 0.142177 7.839319 3.839314 0.553606 105.952244 0.15309734E+04 0.46239600E+05 19.017425 13.631021 1.091666 2.180059 0.997165 47.962728 126.713261 0.445594 0.455114 -1.109848 -0.002061 0.002333 -0.000755 0.003203 0.000736 0.000554 -0.010847 0.004882 0.008477 -0.011929 0.001094 0.010835 24.122146 26.518676 -0.278851 -0.325147 22.508988 -2.276390 23.338772 0.000269 9 H 6.739835 7.200740 7.317403 0.132398 0.998470 0.70959271E+01 0.68178291E+02 1.696956 1.590812 -1.172060 2.326529 0.996454 3.577792 10.186073 0.476661 1.337396 -0.695262 -0.031724 -0.011090 0.000626 0.033612 0.004458 -0.002557 -0.008785 0.008966 -0.004256 -0.011640 0.000964 0.010676 1.746999 2.295366 0.246091 0.170062 1.399448 0.101035 1.546184 0.000002 10 H 7.862466 6.922574 9.317581 0.113458 1.116659 0.82540543E+01 0.82070653E+02 1.810637 1.705090 -1.056867 2.378729 0.996453 3.622109 10.370370 0.466366 1.320866 -0.699890 -0.023429 -0.017856 0.029336 0.041573 0.011650 0.001539 -0.008414 0.014195 0.008204 -0.018177 0.004957 0.013220 1.846008 1.694264 0.127938 -0.280656 1.572879 -0.285756 2.270882 -0.000000 11 H 11.174610 8.594578 7.713790 0.115559 1.220086 0.91183255E+01 0.91842283E+02 1.847155 1.738374 -0.928974 2.440445 0.998115 3.446066 9.549004 0.489301 1.242803 -0.719199 0.039112 0.014844 -0.000368 0.041836 0.011524 0.003716 -0.006177 0.016035 0.007171 -0.017799 0.004934 0.012865 1.881817 2.545604 0.240172 0.104137 1.500884 -0.007488 1.598965 0.000006 12 H 10.043445 8.880262 5.708635 0.124736 1.060221 0.76545667E+01 0.75432185E+02 1.799863 1.676084 -1.387748 2.219760 0.992873 3.882558 11.430399 0.451614 1.376266 -0.685909 0.013917 0.013172 -0.024242 0.030901 0.009384 0.006182 -0.004474 0.014159 0.012702 -0.016167 0.004366 0.011801 1.854123 1.702583 0.221086 -0.331991 1.639241 -0.396660 2.220544 0.000003 13 H 3.640932 6.471494 3.239095 0.126295 1.061701 0.78341526E+01 0.77696123E+02 1.815321 1.708826 -1.312433 2.263387 0.992463 3.806447 11.263583 0.441839 1.397767 -0.682858 0.002739 0.021152 -0.026192 0.033778 0.008112 0.004058 -0.006645 -0.010215 0.011376 -0.014135 0.003401 0.010734 1.872417 1.564577 0.157397 -0.073266 2.041066 -0.535549 2.011607 0.000003 14 H 1.935272 4.910758 3.038414 0.115562 1.231282 0.94568240E+01 0.96379256E+02 1.874957 1.784928 -1.008181 2.404127 0.996972 3.521682 9.901629 0.475708 1.263360 -0.714356 -0.024115 0.002387 -0.036921 0.044163 0.011214 0.012329 -0.003711 0.007562 0.024717 -0.019964 0.002378 0.017586 1.888811 1.906727 0.048720 0.456014 1.649624 -0.049972 2.110081 0.000007 15 H 2.965027 3.356035 6.640725 0.117041 1.093294 0.80065946E+01 0.78143811E+02 1.716846 1.627635 -0.943154 2.433374 0.998126 3.377244 9.242312 0.505781 1.240787 -0.718769 -0.001905 -0.025056 0.032136 0.040795 0.010095 0.007225 -0.008499 0.003904 0.025212 -0.019021 0.006077 0.012944 1.741512 1.417534 0.154588 -0.070897 1.976758 -0.447746 1.830244 0.000003 16 H 4.636716 4.952858 6.851358 0.135073 1.053960 0.77870725E+01 0.75484973E+02 1.682692 1.611932 -0.860723 2.480749 0.999127 3.275467 8.937179 0.504974 1.251268 -0.717163 0.019472 -0.001082 0.030209 0.035957 0.009618 0.009472 -0.010492 0.001598 0.019264 -0.020330 0.006438 0.013892 1.701723 1.701547 0.039252 0.348826 1.469340 0.071905 1.934283 0.000002 17 H 3.309807 8.878758 4.854496 0.121598 1.008335 0.72313618E+01 0.70796989E+02 1.793272 1.668775 -1.508189 2.164113 0.990988 4.000605 12.037548 0.433216 1.444131 -0.672523 -0.006211 -0.030441 0.011697 0.033197 -0.002587 -0.007847 -0.005730 -0.011964 -0.013629 -0.013615 0.003156 0.010459 1.870832 1.510605 0.017389 -0.082836 2.477052 -0.408036 1.624839 0.000001 18 H 1.651025 10.462049 5.181225 0.109249 1.319301 0.10145246E+02 0.10533719E+03 1.962318 1.845384 -1.245593 2.284865 0.994207 3.692826 10.515522 0.468646 1.258758 -0.714265 -0.033454 -0.010214 0.025301 0.043170 -0.005897 -0.016143 -0.004963 0.009225 -0.007811 -0.018735 0.000249 0.018485 1.994952 2.379977 0.198959 -0.448649 1.817937 -0.195289 1.786943 0.000006 19 H 3.759369 13.109888 2.993634 0.103033 1.088199 0.78703087E+01 0.78211687E+02 1.844447 1.709886 -1.315886 2.245745 0.992557 3.961733 11.767804 0.442438 1.393072 -0.682846 0.005022 0.032923 -0.015122 0.036577 -0.005351 -0.009076 -0.005083 -0.001503 -0.025926 -0.015844 0.005653 0.010191 1.917424 1.526928 0.088344 -0.077997 2.566741 -0.473921 1.658602 0.000001 20 H 5.435923 11.543137 2.691783 0.131726 1.029502 0.75254933E+01 0.73237024E+02 1.722092 1.632609 -1.121768 2.352996 0.996156 3.560098 10.137846 0.473860 1.328191 -0.697784 0.025618 0.008033 -0.016384 0.031452 -0.003109 -0.009880 -0.006751 -0.008555 -0.008366 -0.015088 0.005045 0.010043 1.745739 2.075887 0.215213 -0.391789 1.591889 -0.132405 1.569442 0.000002 21 H 10.656284 8.148008 1.160966 0.110144 1.285905 0.98390411E+01 0.10183601E+03 1.956792 1.837658 -1.258256 2.279221 0.993881 3.768932 10.874196 0.459780 1.287087 -0.707108 0.035578 0.018547 0.007645 0.040844 0.012506 -0.007772 0.003689 0.011981 -0.000219 -0.017065 0.001613 0.015452 1.984299 2.452218 0.395122 0.129455 1.748198 0.132142 1.752481 0.000007 22 H 9.107637 8.006670 2.880854 0.125978 0.993817 0.72661195E+01 0.71191173E+02 1.773587 1.672261 -1.479519 2.179585 0.991729 3.962278 11.909556 0.433157 1.443234 -0.672924 0.011490 0.012230 0.030377 0.034704 0.006904 0.002531 0.004706 0.007283 0.019207 -0.011455 0.001057 0.010398 1.831985 1.527960 0.081863 0.106595 1.606677 0.316176 2.361319 0.000002 23 H 7.482343 6.226408 15.276654 0.114010 1.012745 0.71721035E+01 0.69507096E+02 1.748626 1.625767 -1.225872 2.296684 0.994176 3.774769 11.005326 0.457322 1.381979 -0.685491 -0.013577 -0.015336 -0.034714 0.040306 0.010399 -0.004525 0.006204 0.016068 0.014447 -0.018056 0.006904 0.011153 1.806227 1.470294 0.086985 0.150401 1.521598 0.395951 2.426790 0.000001 24 H 6.547826 6.067026 0.416289 0.135531 1.046129 0.78050917E+01 0.75617805E+02 1.664390 1.606686 -0.897401 2.462855 0.998916 3.270325 8.887787 0.509735 1.240267 -0.719561 -0.031318 -0.016879 -0.006444 0.036156 0.014325 -0.000888 0.006702 0.015629 0.019032 -0.020919 0.006720 0.014199 1.664470 2.000974 0.277602 0.105061 1.502259 0.077093 1.490176 0.000002 25 H 6.439526 0.317260 15.610017 0.132414 0.998421 0.70954893E+01 0.68173075E+02 1.696907 1.590769 -1.172041 2.326549 0.996454 3.577678 10.185694 0.476664 1.337406 -0.695260 -0.031725 0.011093 0.000625 0.033615 -0.004458 -0.002557 0.008786 0.008965 -0.004262 -0.011640 0.000964 0.010676 1.746947 2.295290 -0.246080 0.170052 1.399412 -0.101031 1.546139 0.000001 26 H 8.162775 0.595426 1.024967 0.113459 1.116644 0.82539010E+01 0.82068592E+02 1.810608 1.705064 -1.056824 2.378747 0.996453 3.622059 10.370129 0.466375 1.320850 -0.699894 -0.023431 0.017859 0.029334 0.041574 -0.011651 0.001539 0.008413 0.014195 0.008201 -0.018177 0.004956 0.013221 1.845978 1.694238 -0.127936 -0.280652 1.572855 0.285750 2.270840 0.000000 27 H 10.874301 13.959422 16.006404 0.115579 1.220041 0.91178947E+01 0.91836794E+02 1.847103 1.738327 -0.928966 2.440456 0.998115 3.445978 9.548678 0.489310 1.242796 -0.719200 0.039115 -0.014842 -0.000373 0.041838 -0.011525 0.003716 0.006178 0.016032 0.007168 -0.017799 0.004934 0.012865 1.881763 2.545524 -0.240163 0.104132 1.500847 0.007488 1.598920 0.000006 28 H 9.743136 13.673738 14.001249 0.124761 1.060152 0.76539579E+01 0.75424829E+02 1.799801 1.676031 -1.387757 2.219772 0.992873 3.882408 11.429926 0.451615 1.376288 -0.685905 0.013920 -0.013172 -0.024244 0.030904 -0.009383 0.006183 0.004474 0.014157 0.012697 -0.016166 0.004365 0.011801 1.854058 1.702526 -0.221075 -0.331976 1.639189 0.396640 2.220459 0.000001 29 H 3.340623 1.046506 11.531709 0.126284 1.061724 0.78343664E+01 0.77698789E+02 1.815348 1.708850 -1.312442 2.263378 0.992462 3.806509 11.263813 0.441835 1.397768 -0.682857 0.002736 -0.021154 -0.026190 0.033777 -0.008112 0.004059 0.006646 -0.010213 0.011374 -0.014135 0.003401 0.010735 1.872445 1.564599 -0.157402 -0.073267 2.041100 0.535561 2.011638 0.000001 30 H 1.634963 2.607242 11.331028 0.115540 1.231356 0.94575448E+01 0.96388572E+02 1.875044 1.785006 -1.008265 2.404083 0.996971 3.521807 9.902126 0.475693 1.263374 -0.714353 -0.024119 -0.002389 -0.036918 0.044163 -0.011215 0.012329 0.003712 0.007562 0.024713 -0.019965 0.002379 0.017586 1.888900 1.906818 -0.048725 0.456047 1.649697 0.049977 2.110185 0.000004 31 H 2.664719 4.161965 14.933339 0.117014 1.093333 0.80069431E+01 0.78148005E+02 1.716884 1.627668 -0.943193 2.433348 0.998125 3.377312 9.242523 0.505776 1.240785 -0.718770 -0.001906 0.025055 0.032136 0.040793 -0.010095 0.007226 0.008499 0.003904 0.025208 -0.019021 0.006078 0.012943 1.741552 1.417562 -0.154593 -0.070899 1.976805 0.447762 1.830287 0.000004 32 H 4.336407 2.565142 15.143972 0.135043 1.053994 0.77873843E+01 0.75488701E+02 1.682728 1.611964 -0.860758 2.480726 0.999127 3.275526 8.937362 0.504970 1.251268 -0.717164 0.019472 0.001083 0.030208 0.035956 -0.009618 0.009472 0.010492 0.001598 0.019263 -0.020329 0.006438 0.013891 1.701761 1.701585 -0.039254 0.348841 1.469367 -0.071908 1.934330 0.000001 33 H 3.009499 13.675242 13.147110 0.121592 1.008323 0.72312537E+01 0.70795702E+02 1.793263 1.668768 -1.508188 2.164116 0.990988 4.000585 12.037488 0.433215 1.444141 -0.672521 -0.006213 0.030442 0.011695 0.033198 0.002587 -0.007847 0.005731 -0.011964 -0.013630 -0.013615 0.003156 0.010459 1.870824 1.510599 -0.017388 -0.082835 2.477039 0.408032 1.624833 -0.000000 34 H 1.350717 12.091951 13.473839 0.109228 1.319337 0.10145596E+02 0.10534185E+03 1.962368 1.845427 -1.245645 2.284842 0.994206 3.692880 10.515765 0.468635 1.258774 -0.714262 -0.033456 0.010215 0.025298 0.043170 0.005897 -0.016143 0.004964 0.009225 -0.007815 -0.018735 0.000250 0.018485 1.995005 2.380045 -0.198968 -0.448667 1.817983 0.195297 1.786987 0.000005 35 H 3.459060 9.444112 11.286248 0.103017 1.088231 0.78705988E+01 0.78215231E+02 1.844477 1.709912 -1.315877 2.245742 0.992557 3.961807 11.768045 0.442437 1.393065 -0.682848 0.005021 -0.032921 -0.015122 0.036575 0.005351 -0.009077 0.005084 -0.001503 -0.025928 -0.015845 0.005655 0.010191 1.917457 1.526954 -0.088345 -0.077999 2.566788 0.473931 1.658628 0.000000 36 H 5.135614 11.010863 10.984397 0.131710 1.029523 0.75256920E+01 0.73239490E+02 1.722122 1.632635 -1.121819 2.352970 0.996155 3.560156 10.138070 0.473853 1.328199 -0.697783 0.025619 -0.008033 -0.016384 0.031453 0.003109 -0.009880 0.006751 -0.008555 -0.008369 -0.015089 0.005045 0.010044 1.745771 2.075929 -0.215219 -0.391800 1.591916 0.132409 1.569468 0.000001 37 H 10.355975 14.405992 9.453580 0.110159 1.285853 0.98385454E+01 0.10182980E+03 1.956759 1.837627 -1.258250 2.279236 0.993882 3.768835 10.873928 0.459777 1.287109 -0.707104 0.035579 -0.018549 0.007649 0.040847 -0.012506 -0.007772 -0.003688 0.011978 -0.000223 -0.017065 0.001613 0.015452 1.984266 2.452177 -0.395115 0.129455 1.748172 -0.132140 1.752449 0.000004 38 H 8.807328 14.547330 11.173468 0.125998 0.993765 0.72656503E+01 0.71185452E+02 1.773531 1.672211 -1.479504 2.179604 0.991730 3.962137 11.909053 0.433162 1.443242 -0.672923 0.011492 -0.012231 0.030378 0.034706 -0.006903 0.002531 -0.004706 0.007281 0.019207 -0.011453 0.001056 0.010397 1.831925 1.527915 -0.081859 0.106591 1.606629 -0.316161 2.361231 0.000000 39 H 7.782651 1.291592 6.984040 0.114005 1.012794 0.71725214E+01 0.69512103E+02 1.748671 1.625806 -1.225891 2.296665 0.994176 3.774874 11.005679 0.457321 1.381964 -0.685494 -0.013578 0.015334 -0.034712 0.040304 -0.010399 -0.004524 -0.006204 0.016070 0.014446 -0.018057 0.006904 0.011153 1.806276 1.470329 -0.086989 0.150407 1.521634 -0.395967 2.426865 0.000001 40 H 6.247518 1.450974 8.708903 0.135551 1.046121 0.78050247E+01 0.75616959E+02 1.664373 1.606671 -0.897394 2.462857 0.998916 3.270313 8.887729 0.509742 1.240255 -0.719564 -0.031318 0.016878 -0.006442 0.036155 -0.014325 -0.000888 -0.006702 0.015629 0.019032 -0.020918 0.006720 0.014199 1.664453 2.000951 -0.277596 0.105057 1.502245 -0.077091 1.490162 0.000001 41 H 5.408457 14.718740 0.975211 0.132398 0.998472 0.70959396E+01 0.68178422E+02 1.696956 1.590812 -1.172058 2.326530 0.996454 3.577791 10.186062 0.476661 1.337393 -0.695263 0.031724 -0.011090 -0.000626 0.033612 -0.004458 -0.002557 0.008785 0.008965 -0.004256 -0.011640 0.000964 0.010676 1.746999 2.295365 -0.246091 0.170061 1.399448 -0.101035 1.546184 0.000001 42 H 3.685208 14.440574 15.560261 0.113458 1.116656 0.82540263E+01 0.82070299E+02 1.810634 1.705088 -1.056863 2.378731 0.996453 3.622101 10.370340 0.466366 1.320866 -0.699890 0.023429 -0.017856 -0.029336 0.041574 -0.011650 0.001539 0.008414 0.014195 0.008204 -0.018177 0.004957 0.013220 1.846005 1.694260 -0.127938 -0.280656 1.572877 0.285756 2.270878 -0.000000 43 H 0.973682 1.076578 0.578824 0.115558 1.220080 0.91182629E+01 0.91841477E+02 1.847148 1.738367 -0.928967 2.440449 0.998115 3.446052 9.548950 0.489302 1.242803 -0.719199 -0.039113 0.014844 0.000368 0.041836 -0.011524 0.003716 0.006177 0.016035 0.007171 -0.017799 0.004934 0.012865 1.881810 2.545593 -0.240172 0.104136 1.500879 0.007488 1.598958 0.000006 44 H 2.104847 1.362262 2.583979 0.124737 1.060201 0.76543888E+01 0.75430017E+02 1.799845 1.676069 -1.387733 2.219770 0.992873 3.882513 11.430247 0.451615 1.376273 -0.685908 -0.013918 0.013172 0.024243 0.030902 -0.009383 0.006182 0.004474 0.014160 0.012701 -0.016167 0.004366 0.011801 1.854104 1.702566 -0.221083 -0.331987 1.639226 0.396655 2.220520 0.000002 45 H 8.507360 13.989494 5.053519 0.126298 1.061702 0.78341613E+01 0.77696228E+02 1.815321 1.708826 -1.312434 2.263387 0.992463 3.806449 11.263589 0.441839 1.397765 -0.682858 -0.002739 0.021152 0.026192 0.033777 -0.008112 0.004058 0.006645 -0.010215 0.011375 -0.014135 0.003401 0.010734 1.872416 1.564577 -0.157397 -0.073266 2.041066 0.535549 2.011607 0.000001 46 H 10.213020 12.428758 5.254200 0.115565 1.231279 0.94567982E+01 0.96378940E+02 1.874955 1.784926 -1.008178 2.404129 0.996972 3.521676 9.901613 0.475708 1.263361 -0.714356 0.024115 0.002387 0.036921 0.044164 -0.011214 0.012329 0.003711 0.007562 0.024717 -0.019964 0.002378 0.017586 1.888809 1.906725 -0.048720 0.456014 1.649622 0.049971 2.110078 0.000005 47 H 9.183264 10.874035 1.651889 0.117044 1.093280 0.80064640E+01 0.78142184E+02 1.716830 1.627619 -0.943144 2.433380 0.998126 3.377214 9.242196 0.505784 1.240784 -0.718769 0.001904 -0.025057 -0.032137 0.040796 -0.010095 0.007225 0.008499 0.003904 0.025212 -0.019021 0.006077 0.012944 1.741495 1.417521 -0.154585 -0.070896 1.976737 0.447740 1.830226 0.000005 48 H 7.511576 12.470858 1.441256 0.135076 1.053946 0.77869427E+01 0.75483393E+02 1.682678 1.611919 -0.860710 2.480757 0.999127 3.275439 8.937081 0.504976 1.251269 -0.717163 -0.019473 -0.001083 -0.030209 0.035958 -0.009617 0.009472 0.010492 0.001598 0.019264 -0.020330 0.006438 0.013892 1.701708 1.701532 -0.039252 0.348822 1.469328 -0.071904 1.934265 0.000002 49 H 8.838484 1.360758 3.438118 0.121597 1.008333 0.72313388E+01 0.70796696E+02 1.793268 1.668772 -1.508182 2.164117 0.990988 4.000595 12.037506 0.433217 1.444131 -0.672523 0.006211 -0.030441 -0.011697 0.033197 0.002586 -0.007846 0.005730 -0.011964 -0.013629 -0.013615 0.003156 0.010459 1.870829 1.510602 -0.017389 -0.082835 2.477048 0.408035 1.624837 0.000000 50 H 10.497266 2.944049 3.111389 0.109248 1.319287 0.10145108E+02 0.10533540E+03 1.962305 1.845373 -1.245581 2.284872 0.994207 3.692799 10.515426 0.468647 1.258760 -0.714265 0.033454 -0.010215 -0.025301 0.043170 0.005896 -0.016143 0.004963 0.009225 -0.007811 -0.018734 0.000249 0.018485 1.994940 2.379961 -0.198958 -0.448646 1.817925 0.195287 1.786933 0.000005 51 H 8.388923 5.591888 5.298980 0.103034 1.088196 0.78702908E+01 0.78211468E+02 1.844444 1.709884 -1.315884 2.245746 0.992557 3.961730 11.767794 0.442438 1.393072 -0.682846 -0.005022 0.032923 0.015122 0.036577 0.005351 -0.009076 0.005083 -0.001503 -0.025926 -0.015844 0.005654 0.010190 1.917421 1.526927 -0.088342 -0.077996 2.566736 0.473919 1.658600 0.000001 52 H 6.712369 4.025137 5.600831 0.131727 1.029502 0.75254899E+01 0.73236978E+02 1.722091 1.632607 -1.121773 2.352995 0.996156 3.560098 10.137843 0.473860 1.328190 -0.697784 -0.025618 0.008033 0.016384 0.031452 0.003109 -0.009880 0.006751 -0.008555 -0.008366 -0.015088 0.005045 0.010043 1.745738 2.075886 -0.215213 -0.391789 1.591888 0.132405 1.569441 0.000001 53 H 1.492008 0.630008 7.131648 0.110147 1.285892 0.98389220E+01 0.10183454E+03 1.956786 1.837652 -1.258245 2.279229 0.993882 3.768912 10.874151 0.459778 1.287094 -0.707107 -0.035578 0.018547 -0.007646 0.040844 -0.012506 -0.007771 -0.003688 0.011981 -0.000219 -0.017065 0.001613 0.015452 1.984293 2.452210 -0.395120 0.129455 1.748193 -0.132142 1.752475 0.000005 54 H 3.040655 0.488670 5.411760 0.125981 0.993800 0.72659672E+01 0.71189310E+02 1.773569 1.672245 -1.479508 2.179593 0.991729 3.962233 11.909391 0.433159 1.443237 -0.672924 -0.011491 0.012230 -0.030378 0.034705 -0.006904 0.002531 -0.004706 0.007283 0.019207 -0.011455 0.001057 0.010398 1.831966 1.527945 -0.081861 0.106593 1.606661 -0.316171 2.361291 0.000001 55 H 4.065332 13.744408 9.601188 0.114012 1.012748 0.71721330E+01 0.69507471E+02 1.748631 1.625771 -1.225882 2.296679 0.994176 3.774780 11.005374 0.457321 1.381980 -0.685491 0.013576 -0.015336 0.034714 0.040306 -0.010399 -0.004525 -0.006204 0.016069 0.014447 -0.018056 0.006904 0.011153 1.806233 1.470297 -0.086986 0.150401 1.521602 -0.395952 2.426798 0.000000 56 H 5.600465 13.585026 7.876325 0.135537 1.046128 0.78050864E+01 0.75617741E+02 1.664387 1.606683 -0.897393 2.462858 0.998916 3.270327 8.887791 0.509737 1.240264 -0.719562 0.031317 -0.016880 0.006444 0.036156 -0.014325 -0.000888 -0.006702 0.015629 0.019032 -0.020919 0.006719 0.014199 1.664467 2.000969 -0.277600 0.105060 1.502256 -0.077093 1.490174 0.000001 57 H 5.108148 7.835260 9.267825 0.132415 0.998420 0.70954856E+01 0.68173048E+02 1.696908 1.590770 -1.172042 2.326549 0.996454 3.577681 10.185712 0.476663 1.337408 -0.695260 0.031725 0.011093 -0.000625 0.033615 0.004458 -0.002557 -0.008785 0.008965 -0.004262 -0.011640 0.000964 0.010676 1.746948 2.295292 0.246080 0.170052 1.399413 0.101031 1.546140 0.000001 58 H 3.985517 8.113426 7.267647 0.113460 1.116648 0.82539385E+01 0.82069081E+02 1.810614 1.705069 -1.056830 2.378744 0.996453 3.622070 10.370177 0.466373 1.320852 -0.699893 0.023431 0.017858 -0.029334 0.041574 0.011651 0.001539 -0.008413 0.014196 0.008201 -0.018177 0.004956 0.013221 1.845984 1.694243 0.127936 -0.280653 1.572860 -0.285751 2.270848 0.000001 59 H 0.673373 6.441422 8.871438 0.115577 1.220053 0.91180152E+01 0.91838414E+02 1.847124 1.738346 -0.928972 2.440454 0.998115 3.446001 9.548798 0.489304 1.242807 -0.719198 -0.039115 -0.014842 0.000373 0.041838 0.011525 0.003715 -0.006178 0.016032 0.007169 -0.017799 0.004934 0.012865 1.881786 2.545559 0.240168 0.104134 1.500862 -0.007488 1.598937 0.000006 60 H 1.804538 6.155738 10.876593 0.124762 1.060157 0.76540090E+01 0.75425479E+02 1.799809 1.676038 -1.387771 2.219765 0.992873 3.882425 11.429997 0.451614 1.376290 -0.685905 -0.013920 -0.013172 0.024245 0.030904 0.009383 0.006183 -0.004474 0.014156 0.012698 -0.016166 0.004365 0.011801 1.854065 1.702533 0.221076 -0.331977 1.639195 -0.396643 2.220469 0.000002 61 H 8.207051 8.564506 13.346133 0.126285 1.061715 0.78342877E+01 0.77697812E+02 1.815338 1.708842 -1.312437 2.263382 0.992463 3.806488 11.263736 0.441836 1.397769 -0.682857 -0.002736 -0.021154 0.026190 0.033777 0.008112 0.004059 -0.006645 -0.010213 0.011374 -0.014135 0.003401 0.010734 1.872436 1.564592 0.157400 -0.073267 2.041088 -0.535556 2.011627 0.000001 62 H 9.912711 10.125242 13.546814 0.115539 1.231350 0.94574852E+01 0.96387767E+02 1.875035 1.784998 -1.008263 2.404084 0.996971 3.521795 9.902067 0.475695 1.263371 -0.714354 0.024119 -0.002389 0.036918 0.044163 0.011215 0.012329 -0.003712 0.007562 0.024713 -0.019965 0.002379 0.017586 1.888891 1.906808 0.048724 0.456044 1.649689 -0.049977 2.110175 0.000006 63 H 8.882956 11.679965 9.944503 0.117013 1.093343 0.80070394E+01 0.78149182E+02 1.716894 1.627677 -0.943198 2.433344 0.998125 3.377333 9.242595 0.505775 1.240783 -0.718770 0.001906 0.025055 -0.032135 0.040793 0.010095 0.007226 -0.008499 0.003904 0.025208 -0.019021 0.006078 0.012943 1.741562 1.417570 0.154595 -0.070899 1.976818 -0.447766 1.830298 0.000003 64 H 7.211267 10.083142 9.733870 0.135042 1.054000 0.77874373E+01 0.75489355E+02 1.682735 1.611970 -0.860764 2.480722 0.999127 3.275538 8.937408 0.504968 1.251269 -0.717163 -0.019472 0.001083 -0.030208 0.035956 0.009618 0.009472 -0.010492 0.001598 0.019263 -0.020329 0.006439 0.013891 1.701768 1.701592 0.039254 0.348842 1.469373 0.071908 1.934338 0.000001 65 H 8.538176 6.157242 11.730732 0.121593 1.008321 0.72312387E+01 0.70795524E+02 1.793262 1.668767 -1.508191 2.164116 0.990988 4.000582 12.037480 0.433215 1.444142 -0.672521 0.006213 0.030442 -0.011695 0.033198 -0.002587 -0.007847 -0.005731 -0.011964 -0.013630 -0.013616 0.003156 0.010459 1.870822 1.510598 0.017388 -0.082835 2.477035 -0.408031 1.624832 -0.000000 66 H 10.196958 4.573951 11.404003 0.109228 1.319350 0.10145722E+02 0.10534357E+03 1.962386 1.845443 -1.245658 2.284836 0.994206 3.692904 10.515879 0.468631 1.258780 -0.714260 0.033457 0.010216 -0.025298 0.043170 -0.005897 -0.016143 -0.004964 0.009225 -0.007815 -0.018736 0.000251 0.018485 1.995024 2.380070 0.198971 -0.448674 1.818000 -0.195300 1.787002 0.000004 67 H 8.088614 1.926112 13.591594 0.103018 1.088232 0.78706056E+01 0.78215310E+02 1.844478 1.709913 -1.315876 2.245742 0.992557 3.961806 11.768040 0.442437 1.393064 -0.682848 -0.005021 -0.032921 0.015123 0.036575 -0.005351 -0.009077 -0.005084 -0.001502 -0.025927 -0.015845 0.005654 0.010191 1.917457 1.526954 0.088346 -0.077999 2.566790 -0.473932 1.658629 -0.000000 68 H 6.412060 3.492863 13.893445 0.131712 1.029517 0.75256356E+01 0.73238796E+02 1.722115 1.632629 -1.121810 2.352975 0.996155 3.560139 10.138008 0.473855 1.328199 -0.697783 -0.025618 -0.008033 0.016384 0.031453 -0.003110 -0.009880 -0.006751 -0.008555 -0.008368 -0.015089 0.005045 0.010043 1.745764 2.075920 0.215217 -0.391798 1.591910 -0.132408 1.569462 0.000000 69 H 1.191699 6.887992 15.424262 0.110155 1.285857 0.98385822E+01 0.10183025E+03 1.956762 1.837630 -1.258255 2.279233 0.993882 3.768842 10.873945 0.459777 1.287108 -0.707104 -0.035580 -0.018549 -0.007648 0.040847 0.012506 -0.007772 0.003689 0.011978 -0.000223 -0.017065 0.001613 0.015452 1.984269 2.452181 0.395116 0.129455 1.748174 0.132140 1.752452 0.000006 70 H 2.740346 7.029330 13.704374 0.125996 0.993770 0.72656923E+01 0.71185962E+02 1.773536 1.672216 -1.479505 2.179602 0.991730 3.962149 11.909095 0.433162 1.443241 -0.672923 -0.011492 -0.012231 -0.030378 0.034706 0.006903 0.002531 0.004706 0.007281 0.019207 -0.011454 0.001056 0.010397 1.831930 1.527919 0.081859 0.106593 1.606634 0.316162 2.361239 0.000001 71 H 4.365640 8.809592 1.308574 0.114002 1.012794 0.71725281E+01 0.69512178E+02 1.748672 1.625807 -1.225888 2.296666 0.994176 3.774876 11.005683 0.457321 1.381964 -0.685494 0.013579 0.015334 0.034712 0.040304 0.010399 -0.004524 0.006204 0.016070 0.014446 -0.018057 0.006904 0.011153 1.806277 1.470329 0.086989 0.150407 1.521635 0.395967 2.426866 0.000002 72 H 5.300157 8.968974 16.168939 0.135544 1.046127 0.78050764E+01 0.75617583E+02 1.664380 1.606678 -0.897404 2.462852 0.998916 3.270321 8.887757 0.509740 1.240257 -0.719563 0.031318 0.016878 0.006442 0.036155 0.014325 -0.000888 0.006702 0.015629 0.019032 -0.020919 0.006720 0.014199 1.664460 2.000961 0.277598 0.105058 1.502251 0.077092 1.490168 0.000002 73 C 8.275921 8.079294 6.312172 0.404160 27.934342 0.30617529E+03 0.66253920E+04 8.281891 6.053683 -0.018266 2.030667 0.999172 23.740051 66.498186 0.630615 0.448849 -1.039499 -0.043270 0.026623 -0.088219 0.101802 -0.019916 0.014764 -0.010299 -0.016119 0.065192 -0.033217 -0.001063 0.034280 9.855715 10.606379 1.294276 3.495490 5.318519 -1.102580 13.642245 -0.000009 74 C 7.640720 7.489582 7.397012 -0.240755 36.541884 0.47789893E+03 0.11501849E+05 9.523038 7.269194 0.128196 2.009458 0.999634 30.496441 88.643128 0.613772 0.414637 -1.065574 -0.003397 -0.014285 0.040074 0.042680 -0.001325 0.014919 0.007105 0.010627 -0.063263 -0.027900 0.006686 0.021214 11.014779 11.052041 1.342154 3.072052 5.784149 -0.976243 16.208145 0.000001 75 C 8.308651 7.323284 8.581197 -0.089513 33.572681 0.43273789E+03 0.10201663E+05 9.134166 7.004095 0.002293 1.973479 0.999567 29.467625 85.921654 0.611153 0.425119 -1.054583 -0.008976 0.013553 -0.035497 0.039042 0.010431 -0.026080 -0.008425 -0.010987 -0.001569 -0.029192 -0.001253 0.030445 10.561509 11.555911 1.232115 3.549554 5.506657 -0.754213 14.621958 -0.000006 76 C 9.626928 7.730459 8.719518 0.004412 38.983815 0.41746303E+03 0.96571460E+04 9.843664 6.762359 -0.000221 2.004482 0.999187 27.016362 75.541683 0.644563 0.410780 -1.074285 -0.009205 0.005246 -0.010874 0.015183 0.014970 0.034050 -0.026054 0.059661 0.135664 -0.066744 -0.000464 0.067208 12.223468 12.100963 0.822783 4.523063 5.900036 -2.197904 18.669404 -0.000001 77 C 10.269942 8.313404 7.635507 -0.106582 33.569796 0.42965262E+03 0.10088957E+05 9.033483 6.907578 0.145948 2.013084 0.999799 29.528312 85.322929 0.626342 0.416452 -1.062325 -0.023729 0.000252 -0.024088 0.033814 0.019775 -0.006431 0.006753 0.028352 -0.076484 -0.029954 -0.007238 0.037192 10.315009 10.410078 1.066041 2.006075 5.541856 -2.011168 14.993092 0.000003 78 C 9.597170 8.482409 6.447507 -0.217986 37.089946 0.48297160E+03 0.11691919E+05 9.743130 7.388621 -0.059696 1.950889 0.998520 30.703914 90.444904 0.596905 0.423874 -1.056344 0.030940 0.002927 0.017767 0.035798 -0.008786 0.004843 -0.010834 -0.024355 0.068644 -0.026493 -0.002003 0.028496 11.259532 12.673364 1.742171 3.418520 6.276023 -1.528906 14.829208 0.000007 79 C 10.311514 7.533337 9.959429 0.296006 39.386476 0.32923789E+03 0.72469280E+04 10.341145 6.420424 0.197757 2.102427 0.999368 24.466058 68.868134 0.592670 0.469514 -1.029009 -0.016990 0.011961 -0.024515 0.032135 0.049557 -0.084607 -0.001484 0.009747 -0.236120 -0.124811 0.011387 0.113424 13.462709 11.255151 -1.451974 9.141640 6.170230 -2.552098 22.962747 0.000031 80 C 4.319414 5.860882 5.053187 0.394754 27.284282 0.31850717E+03 0.69916140E+04 8.264662 6.259124 -0.092359 2.006518 0.999551 24.323976 69.626378 0.604935 0.461253 -1.027863 0.078024 0.065055 0.015605 0.102778 0.019946 0.004543 0.021415 0.003215 -0.076063 -0.035675 -0.002344 0.038019 9.533418 10.320046 4.420114 1.144739 10.204807 -1.489733 8.075402 -0.000012 81 C 3.501335 5.836674 3.931362 -0.228100 35.682753 0.49657547E+03 0.12138452E+05 9.545516 7.533997 -0.168354 1.912169 0.998160 31.351660 93.642019 0.584563 0.428644 -1.050491 -0.031881 -0.020487 -0.024453 0.045100 -0.003909 -0.023455 -0.006129 -0.033472 -0.015693 -0.034440 0.013478 0.020963 10.782992 11.396036 4.656616 2.157537 11.540867 -1.312144 9.412074 0.000001 82 C 2.495043 4.909404 3.806144 -0.093200 33.261927 0.44397214E+03 0.10546427E+05 9.097612 7.113901 -0.046854 1.953488 0.999620 29.905993 87.875740 0.603205 0.427456 -1.051877 0.029003 0.017117 0.011973 0.035742 -0.012231 0.015036 0.007506 0.016632 0.075270 -0.030856 -0.000672 0.031529 10.339768 9.943195 4.621528 1.093666 12.607213 -2.097228 8.468895 0.000002 83 C 2.297469 3.963640 4.817179 0.010754 38.753019 0.42015918E+03 0.97343533E+04 9.838732 6.805559 0.106880 2.044437 0.999299 26.851424 75.117155 0.639540 0.413376 -1.072685 0.015722 0.007132 -0.002344 0.017422 0.052265 0.019274 -0.010917 -0.001811 -0.056268 -0.055465 -0.006615 0.062079 12.265863 12.224016 7.320431 2.006369 15.688182 -0.845545 8.885391 -0.000005 84 C 3.102153 3.991156 5.947960 -0.094104 31.684934 0.42860016E+03 0.10051109E+05 8.701537 6.923388 0.193644 2.033870 0.999845 29.162292 84.019965 0.622771 0.419388 -1.061196 0.028053 0.023329 -0.013741 0.038988 -0.009395 -0.004036 -0.019530 -0.015229 0.065110 -0.026640 -0.005785 0.032425 9.712884 9.827117 4.391815 2.095477 10.834546 -0.522549 8.476989 -0.000001 85 C 4.097397 4.933763 6.068867 -0.219298 34.286073 0.47798672E+03 0.11512482E+05 9.160387 7.309509 0.059069 1.988040 0.999156 30.366232 88.497876 0.606682 0.419172 -1.061943 -0.014577 -0.032768 0.015435 0.039044 0.008115 0.021717 0.007258 0.016601 0.008880 -0.016916 -0.012780 0.029695 10.232613 10.048049 4.486966 0.872478 11.711156 -1.460720 8.938633 -0.000002 86 C 1.314487 2.928411 4.677366 0.302094 40.001056 0.32160761E+03 0.70198288E+04 10.373076 6.294023 0.355961 2.154341 0.999783 24.124729 67.066862 0.607497 0.461914 -1.035832 0.020782 0.023797 0.001637 0.031636 -0.080152 0.014012 -0.043569 0.018178 0.269442 -0.128147 0.015749 0.112398 13.738212 15.554128 11.197989 1.275846 19.748474 1.485065 5.912035 0.000039 87 C 4.560072 10.064647 3.777120 0.405708 28.159479 0.30140366E+03 0.64961303E+04 8.317570 5.995926 0.019510 2.044033 0.998942 23.629939 66.042830 0.635338 0.447296 -1.040472 0.079674 -0.060964 -0.015484 0.101510 -0.020436 0.000376 0.025261 0.024897 -0.026874 -0.037891 0.005007 0.032884 9.979516 10.654551 -3.735288 -1.795156 13.559805 -1.242685 5.724191 -0.000005 88 C 3.412639 9.749944 4.489953 -0.247107 37.589528 0.51120375E+03 0.12570609E+05 9.847806 7.614457 -0.145001 1.912662 0.998505 31.656058 94.428702 0.585637 0.425319 -1.053915 -0.039498 0.011507 0.010850 0.042547 -0.007125 0.016846 0.000305 -0.048329 0.008379 -0.034166 0.010089 0.024077 11.276300 12.679050 -3.250587 -2.784373 14.146077 -1.299901 7.003773 0.000007 89 C 2.423741 10.683529 4.675044 -0.095884 34.560558 0.43887282E+03 0.10401775E+05 9.327732 7.061208 -0.069949 1.942383 0.999628 30.040308 88.352278 0.606578 0.426040 -1.052087 0.032035 -0.011084 -0.012389 0.036091 0.013393 -0.018639 0.001430 0.031917 0.066947 -0.033213 -0.001549 0.034763 10.796308 10.733528 -2.957302 -1.823317 15.454671 -1.761199 6.200725 0.000003 90 C 2.550734 11.950162 4.124580 0.011261 37.765310 0.40176004E+03 0.92040121E+04 9.640577 6.632528 0.139410 2.058605 0.999304 26.524656 73.775386 0.651138 0.410604 -1.074543 0.012489 -0.005425 0.002250 0.013801 -0.038203 -0.019784 -0.004643 -0.006392 -0.120834 -0.050802 -0.008713 0.059515 11.876553 12.965717 -4.926763 -2.451707 16.349828 -0.943127 6.314113 0.000009 91 C 3.672956 12.248326 3.386040 -0.090789 33.365865 0.44431115E+03 0.10566804E+05 9.170507 7.150069 -0.062477 1.953071 0.999136 29.801725 87.900276 0.596877 0.431484 -1.048389 0.018619 -0.031089 0.015239 0.039312 0.008772 0.010579 -0.011065 -0.028697 0.020863 -0.025853 0.005702 0.020150 10.356686 11.644036 -2.533108 -2.627400 12.911822 -1.179037 6.514198 0.000002 92 C 4.670333 11.321958 3.207417 -0.214771 35.707013 0.46397282E+03 0.11103106E+05 9.452430 7.206597 0.063840 1.995793 0.998725 30.111959 87.757375 0.609754 0.419758 -1.060522 -0.001416 0.037523 0.004553 0.037824 -0.011042 -0.007340 0.016438 0.044043 0.000301 -0.031604 0.002317 0.029287 10.907729 10.635993 -2.997998 -1.854923 15.782268 -1.619468 6.304925 0.000004 93 C 1.541787 12.950206 4.313320 0.313602 37.527526 0.31603234E+03 0.68748592E+04 9.970226 6.262275 0.265165 2.127025 0.999725 23.992030 66.801424 0.605076 0.465333 -1.032899 0.025086 -0.022658 0.000004 0.033804 0.102227 -0.018103 -0.049182 -0.002791 0.126845 -0.126351 0.012517 0.113834 12.785726 15.542898 -10.351653 -1.211804 17.222615 1.495213 5.591667 0.000074 94 C 7.669048 7.008280 1.836648 0.404101 27.938131 0.31238277E+03 0.68072144E+04 8.345369 6.156361 -0.011381 2.035341 0.999547 23.953054 67.767913 0.617777 0.454980 -1.033926 -0.068367 -0.024284 0.070942 0.101472 -0.000930 -0.024693 -0.018698 0.010258 -0.018097 -0.032923 0.002290 0.030634 9.856790 10.376306 1.320156 -3.241883 5.304168 1.277111 13.889896 -0.000002 95 C 9.820182 7.722941 1.011201 -0.103468 34.979341 0.44590288E+03 0.10603021E+05 9.371823 7.100209 -0.040249 1.951658 0.999601 30.125380 88.544271 0.607552 0.423968 -1.054109 -0.028037 -0.022304 0.021146 0.041601 0.013365 0.009800 -0.002889 0.007445 -0.070517 -0.026932 0.000534 0.026398 10.793665 10.437920 1.512613 -2.711426 6.126216 1.843968 15.816860 0.000007 96 C 8.900626 7.634980 2.031525 -0.246778 37.117167 0.52507892E+03 0.13005962E+05 9.785721 7.743517 -0.176096 1.903173 0.998130 31.864805 95.575421 0.577438 0.428236 -1.051516 0.044336 0.001397 -0.011730 0.045882 -0.015414 0.000034 0.004072 -0.022754 0.073555 -0.031480 0.006187 0.025292 11.035696 12.527395 2.133027 -3.107071 6.593348 0.997307 13.986346 0.000002 97 C 8.923724 7.189764 16.346898 0.000895 39.231483 0.40923903E+03 0.93919729E+04 9.780999 6.623249 0.132016 2.044873 0.999175 26.749301 73.778622 0.663942 0.401973 -1.083337 -0.009947 -0.007772 0.010530 0.016438 0.022754 -0.041248 0.010374 0.075109 0.099206 -0.065729 -0.003426 0.069156 12.235003 12.736897 1.734820 -5.294307 5.988382 1.373688 17.979730 0.000004 98 C 7.694075 6.580656 16.133115 -0.096273 33.461285 0.44634049E+03 0.10603012E+05 9.141337 7.143011 0.025360 1.982237 0.999180 29.603761 86.620563 0.601472 0.428674 -1.052495 -0.016347 0.007620 0.031830 0.036585 -0.000784 0.021838 0.012103 -0.001990 0.027795 -0.024369 -0.003437 0.027805 10.294377 11.568511 1.926417 -2.789909 5.892777 1.272248 13.421844 0.000002 99 C 7.383736 6.489237 0.571361 -0.213175 34.255786 0.45893434E+03 0.10936298E+05 9.136714 7.135454 0.111658 2.006215 0.999441 30.067781 87.019699 0.617821 0.416029 -1.064474 0.003367 -0.009630 -0.033698 0.035208 0.019864 -0.011305 -0.017078 0.025525 -0.027114 -0.026833 -0.008903 0.035736 10.377643 10.047436 1.142742 -2.624613 5.758948 1.722846 15.326544 0.000000 100 C 9.863122 7.255772 15.259902 0.302071 39.677404 0.31506711E+03 0.68299965E+04 10.246192 6.189281 0.365830 2.156532 0.999869 23.947750 65.972444 0.619698 0.455941 -1.041009 -0.017891 -0.005087 0.024118 0.030457 0.027202 0.109594 0.026707 -0.046515 -0.117822 -0.132526 0.021658 0.110867 13.601717 14.798280 0.314366 -11.241624 5.625345 -0.556811 20.381526 0.000046 101 C 7.975613 14.474706 14.604786 0.404178 27.934020 0.30617221E+03 0.66253036E+04 8.281814 6.053646 -0.018224 2.030685 0.999172 23.739841 66.497321 0.630618 0.448848 -1.039501 -0.043267 -0.026613 -0.088221 0.101800 0.019917 0.014759 0.010303 -0.016120 0.065164 -0.033213 -0.001064 0.034276 9.855606 10.606265 -1.294256 3.495443 5.318480 1.102566 13.642072 -0.000013 102 C 7.340412 0.028418 15.689626 -0.240736 36.541165 0.47788917E+03 0.11501545E+05 9.522912 7.269122 0.128189 2.009464 0.999634 30.495956 88.641216 0.613775 0.414637 -1.065575 -0.003394 0.014304 0.040068 0.042680 0.001330 0.014919 -0.007103 0.010613 -0.063269 -0.027902 0.006695 0.021207 11.014613 11.051872 -1.342126 3.071982 5.784084 0.976226 16.207882 0.000003 103 C 8.608960 0.194716 0.288583 -0.089509 33.572346 0.43273400E+03 0.10201531E+05 9.134046 7.004023 0.002391 1.973509 0.999567 29.467470 85.920550 0.611162 0.425114 -1.054588 -0.008972 -0.013536 -0.035505 0.039042 -0.010437 -0.026083 0.008422 -0.010981 -0.001584 -0.029195 -0.001253 0.030449 10.561349 11.555752 -1.232099 3.549474 5.506593 0.754196 14.621702 -0.000007 104 C 9.927237 14.823541 0.426904 0.004397 38.984053 0.41746814E+03 0.96572800E+04 9.843643 6.762361 -0.000141 2.004502 0.999187 27.016542 75.541890 0.644570 0.410776 -1.074290 -0.009201 -0.005232 -0.010884 0.015182 -0.014969 0.034052 0.026055 0.059676 0.135677 -0.066751 -0.000463 0.067214 12.223419 12.100929 -0.822780 4.523043 5.900021 2.197882 18.669306 -0.000000 105 C 9.969633 14.240596 15.928121 -0.106561 33.568992 0.42964189E+03 0.10088630E+05 9.033321 6.907481 0.146001 2.013108 0.999799 29.527820 85.320855 0.626349 0.416451 -1.062327 -0.023721 -0.000230 -0.024100 0.033816 -0.019774 -0.006441 -0.006747 0.028343 -0.076484 -0.029953 -0.007236 0.037190 10.314801 10.409873 -1.066021 2.006009 5.541770 2.011122 14.992760 0.000001 106 C 9.296861 14.071591 14.740121 -0.217955 37.088737 0.48295478E+03 0.11691405E+05 9.742947 7.388515 -0.059738 1.950890 0.998519 30.703135 90.442057 0.596907 0.423876 -1.056343 0.030950 -0.002912 0.017760 0.035802 0.008792 0.004848 0.010831 -0.024362 0.068603 -0.026493 -0.001994 0.028487 11.259297 12.673114 -1.742137 3.418423 6.275922 1.528865 14.828854 0.000007 107 C 10.611823 -0.015337 1.666815 0.296048 39.385669 0.32923189E+03 0.72467664E+04 10.341026 6.420379 0.197735 2.102421 0.999368 24.465824 68.867442 0.592670 0.469516 -1.029008 -0.016977 -0.011949 -0.024516 0.032125 -0.049559 -0.084615 0.001481 0.009761 -0.236131 -0.124820 0.011387 0.113433 13.462511 11.255010 1.451946 9.141471 6.170163 2.552039 22.962361 0.000045 108 C 4.019105 1.657118 13.345801 0.394746 27.284342 0.31850778E+03 0.69916325E+04 8.264682 6.259136 -0.092371 2.006514 0.999551 24.324016 69.626572 0.604933 0.461254 -1.027862 0.078023 -0.065062 0.015608 0.102783 -0.019949 0.004546 -0.021412 0.003216 -0.076083 -0.035677 -0.002347 0.038024 9.533446 10.320068 -4.420114 1.144755 10.204829 1.489741 8.075440 -0.000011 109 C 3.201026 1.681326 12.223976 -0.228111 35.683268 0.49658280E+03 0.12138684E+05 9.545620 7.534059 -0.168374 1.912159 0.998160 31.351985 93.643411 0.584559 0.428645 -1.050490 -0.031895 0.020472 -0.024442 0.045098 0.003909 -0.023451 0.006139 -0.033467 -0.015714 -0.034437 0.013468 0.020969 10.783130 11.396193 -4.656698 2.157576 11.541022 1.312153 9.412174 -0.000005 110 C 2.194735 2.608596 12.098758 -0.093205 33.262205 0.44397462E+03 0.10546514E+05 9.097683 7.113930 -0.046921 1.953465 0.999620 29.906216 87.876860 0.603202 0.427457 -1.051875 0.028985 -0.017133 0.011987 0.035740 0.012228 0.015042 -0.007500 0.016639 0.075240 -0.030851 -0.000674 0.031525 10.339869 9.943297 -4.621578 1.093702 12.607326 2.097251 8.468983 -0.000000 111 C 1.997161 3.554360 13.109793 0.010750 38.753080 0.42015818E+03 0.97343273E+04 9.838755 6.805557 0.106873 2.044434 0.999299 26.851413 75.117192 0.639539 0.413377 -1.072684 0.015708 -0.007141 -0.002337 0.017412 -0.052261 0.019274 0.010917 -0.001804 -0.056287 -0.055461 -0.006617 0.062078 12.265913 12.224053 -7.320462 2.006378 15.688252 0.845572 8.885435 -0.000005 112 C 2.801844 3.526844 14.240574 -0.094117 31.685051 0.42860107E+03 0.10051136E+05 8.701549 6.923386 0.193640 2.033867 0.999845 29.162389 84.020261 0.622772 0.419387 -1.061197 0.028047 -0.023334 -0.013735 0.038984 0.009395 -0.004034 0.019534 -0.015223 0.065096 -0.026638 -0.005786 0.032424 9.712906 9.827134 -4.391821 2.095493 10.834562 0.522560 8.477024 -0.000001 113 C 3.797088 2.584237 14.361481 -0.219295 34.285707 0.47797948E+03 0.11512263E+05 9.160313 7.309444 0.059074 1.988043 0.999157 30.366036 88.497096 0.606686 0.419171 -1.061944 -0.014578 0.032767 0.015437 0.039045 -0.008111 0.021717 -0.007258 0.016607 0.008873 -0.016915 -0.012780 0.029695 10.232535 10.047969 -4.486915 0.872500 11.711041 1.460705 8.938595 -0.000005 114 C 1.014179 4.589589 12.969980 0.302052 40.001769 0.32161274E+03 0.70199668E+04 10.373177 6.294061 0.356010 2.154353 0.999783 24.124975 67.067613 0.607497 0.461913 -1.035833 0.020768 -0.023811 0.001644 0.031638 0.080153 0.014014 0.043567 0.018178 0.269422 -0.128144 0.015750 0.112393 13.738379 15.554318 -11.198162 1.275859 19.748740 -1.485077 5.912080 0.000031 115 C 4.259764 12.489353 12.069734 0.405697 28.159648 0.30140502E+03 0.64961704E+04 8.317614 5.995945 0.019484 2.044023 0.998942 23.630044 66.043291 0.635335 0.447297 -1.040471 0.079677 0.060968 -0.015488 0.101515 0.020440 0.000374 -0.025259 0.024898 -0.026903 -0.037891 0.005001 0.032890 9.979583 10.654608 3.735320 -1.795165 13.559925 1.242697 5.724215 -0.000002 116 C 3.112330 12.804056 12.782567 -0.247119 37.589764 0.51120709E+03 0.12570717E+05 9.847868 7.614495 -0.145019 1.912655 0.998505 31.656150 94.429210 0.585634 0.425321 -1.053914 -0.039507 -0.011502 0.010840 0.042551 0.007123 0.016846 -0.000301 -0.048324 0.008360 -0.034162 0.010083 0.024079 11.276388 12.679166 3.250632 -2.784398 14.146183 1.299899 7.003814 0.000002 117 C 2.123433 11.870471 12.967658 -0.095888 34.560405 0.43886901E+03 0.10401675E+05 9.327747 7.061204 -0.070021 1.942363 0.999628 30.040215 88.352313 0.606574 0.426043 -1.052083 0.032024 0.011091 -0.012406 0.036089 -0.013393 -0.018635 -0.001429 0.031919 0.066920 -0.033209 -0.001546 0.034755 10.796340 10.733574 2.957297 -1.823338 15.454705 1.761210 6.200741 0.000005 118 C 2.250425 10.603838 12.417194 0.011251 37.765534 0.40176100E+03 0.92040452E+04 9.640636 6.632549 0.139392 2.058597 0.999304 26.524707 73.775716 0.651135 0.410605 -1.074541 0.012480 0.005429 0.002240 0.013793 0.038200 -0.019781 0.004639 -0.006381 -0.120843 -0.050799 -0.008715 0.059514 11.876654 12.965841 4.926826 -2.451730 16.349973 0.943136 6.314149 0.000011 119 C 3.372648 10.305674 11.678654 -0.090819 33.366735 0.44432395E+03 0.10567189E+05 9.170659 7.150165 -0.062469 1.953064 0.999137 29.802284 87.902389 0.596874 0.431483 -1.048389 0.018617 0.031091 0.015233 0.039310 -0.008774 0.010578 0.011071 -0.028699 0.020833 -0.025852 0.005697 0.020155 10.356880 11.644278 2.533182 -2.627453 12.912070 1.179051 6.514293 0.000002 120 C 4.370025 11.232042 11.500031 -0.214783 35.707373 0.46397669E+03 0.11103231E+05 9.452509 7.206636 0.063804 1.995779 0.998725 30.112186 87.758409 0.609751 0.419759 -1.060520 -0.001417 -0.037522 0.004554 0.037824 0.011039 -0.007340 -0.016439 0.044050 0.000279 -0.031605 0.002314 0.029291 10.907841 10.636114 2.998036 -1.854950 15.782439 1.619487 6.304972 0.000001 121 C 1.241478 9.603794 12.605934 0.313561 37.528121 0.31603641E+03 0.68749671E+04 9.970309 6.262301 0.265205 2.127035 0.999725 23.992235 66.802003 0.605077 0.465331 -1.032901 0.025073 0.022672 -0.000003 0.033804 -0.102226 -0.018101 0.049176 -0.002784 0.126831 -0.126348 0.012519 0.113829 12.785868 15.543085 10.351805 -1.211822 17.222815 -1.495230 5.591704 0.000070 122 C 7.368739 0.509720 10.129262 0.404119 27.937820 0.31237910E+03 0.68071133E+04 8.345317 6.156331 -0.011351 2.035356 0.999547 23.952837 67.767168 0.617777 0.454981 -1.033926 -0.068366 0.024286 0.070938 0.101468 0.000935 -0.024687 0.018700 0.010248 -0.018111 -0.032925 0.002300 0.030625 9.856721 10.376220 -1.320134 -3.241862 5.304138 -1.277104 13.889803 -0.000010 123 C 9.519873 14.831059 9.303815 -0.103434 34.978035 0.44588478E+03 0.10602479E+05 9.371612 7.100081 -0.040263 1.951667 0.999601 30.124556 88.541278 0.607556 0.423970 -1.054109 -0.028035 0.022306 0.021151 0.041604 -0.013358 0.009805 0.002888 0.007428 -0.070510 -0.026932 0.000543 0.026389 10.793387 10.437684 -1.512595 -2.711277 6.126104 -1.843930 15.816373 -0.000002 124 C 8.600318 14.919020 10.324139 -0.246746 37.115923 0.52506003E+03 0.13005374E+05 9.785542 7.743410 -0.176135 1.903175 0.998129 31.863970 95.572395 0.577438 0.428240 -1.051514 0.044341 -0.001397 -0.011727 0.045887 0.015417 0.000036 -0.004067 -0.022759 0.073512 -0.031476 0.006200 0.025277 11.035464 12.527156 -2.132988 -3.106958 6.593248 -0.997285 13.985986 -0.000002 125 C 9.224032 0.328236 8.054284 0.000884 39.231500 0.40924202E+03 0.93920463E+04 9.780946 6.623237 0.132097 2.044896 0.999175 26.749409 73.778620 0.663948 0.401968 -1.083342 -0.009948 0.007773 0.010535 0.016443 -0.022757 -0.041252 -0.010374 0.075125 0.099208 -0.065738 -0.003425 0.069163 12.234899 12.736834 -1.734828 -5.294206 5.988360 -1.373680 17.979505 -0.000001 126 C 7.994383 0.937344 7.840501 -0.096270 33.461658 0.44634604E+03 0.10603178E+05 9.141383 7.143039 0.025381 1.982237 0.999181 29.604077 86.621650 0.601473 0.428672 -1.052496 -0.016348 -0.007625 0.031833 0.036589 0.000784 0.021844 -0.012103 -0.001985 0.027801 -0.024373 -0.003439 0.027812 10.294426 11.568543 -1.926422 -2.789900 5.892804 -1.272269 13.421930 -0.000002 127 C 7.083428 1.028763 8.863975 -0.213169 34.255904 0.45893629E+03 0.10936358E+05 9.136745 7.135479 0.111665 2.006217 0.999441 30.067834 87.019964 0.617818 0.416031 -1.064473 0.003367 0.009625 -0.033695 0.035204 -0.019860 -0.011306 0.017084 0.025523 -0.027118 -0.026837 -0.008899 0.035736 10.377676 10.047445 -1.142725 -2.624648 5.758960 -1.722848 15.326622 -0.000002 128 C 10.163430 0.262228 6.967288 0.302126 39.676154 0.31505808E+03 0.68297520E+04 10.245991 6.189199 0.365847 2.156541 0.999869 23.947371 65.971174 0.619701 0.455942 -1.041008 -0.017878 0.005083 0.024120 0.030450 -0.027207 0.109605 -0.026709 -0.046507 -0.117834 -0.132536 0.021656 0.110880 13.601398 14.797972 -0.314365 -11.241314 5.625250 0.556804 20.380971 0.000043 129 C 3.872370 0.561294 1.980442 0.404160 27.934304 0.30617490E+03 0.66253804E+04 8.281879 6.053677 -0.018262 2.030668 0.999172 23.740029 66.498071 0.630616 0.448849 -1.039500 0.043269 0.026623 0.088220 0.101802 0.019916 0.014764 0.010299 -0.016119 0.065192 -0.033217 -0.001063 0.034280 9.855698 10.606353 -1.294273 3.495482 5.318513 1.102578 13.642226 -0.000009 130 C 4.507571 -0.028418 0.895602 -0.240757 36.541931 0.47789986E+03 0.11501875E+05 9.523041 7.269198 0.128199 2.009459 0.999634 30.496462 88.643164 0.613772 0.414636 -1.065575 0.003397 -0.014285 -0.040075 0.042680 0.001325 0.014919 -0.007105 0.010627 -0.063262 -0.027900 0.006686 0.021214 11.014781 11.052037 -1.342152 3.072051 5.784152 0.976243 16.208155 0.000002 131 C 3.239023 14.841284 16.296645 -0.089512 33.572615 0.43273705E+03 0.10201637E+05 9.134149 7.004085 0.002296 1.973480 0.999567 29.467593 85.921490 0.611154 0.425118 -1.054584 0.008976 0.013553 0.035497 0.039042 -0.010431 -0.026079 0.008426 -0.010987 -0.001568 -0.029191 -0.001254 0.030445 10.561485 11.555879 -1.232113 3.549540 5.506649 0.754212 14.621928 -0.000005 132 C 1.920746 0.212459 16.158324 0.004411 38.983777 0.41746306E+03 0.96571457E+04 9.843654 6.762358 -0.000223 2.004481 0.999187 27.016363 75.541649 0.644564 0.410780 -1.074285 0.009205 0.005246 0.010874 0.015182 -0.014970 0.034050 0.026055 0.059662 0.135664 -0.066745 -0.000464 0.067208 12.223446 12.100942 -0.822784 4.523050 5.900031 2.197898 18.669366 -0.000000 133 C 1.878350 0.795404 0.657107 -0.106580 33.569625 0.42965030E+03 0.10088886E+05 9.033445 6.907555 0.145960 2.013089 0.999799 29.528215 85.322493 0.626344 0.416452 -1.062326 0.023728 0.000251 0.024089 0.033814 -0.019775 -0.006432 -0.006752 0.028352 -0.076481 -0.029953 -0.007239 0.037192 10.314960 10.410032 -1.066040 2.006061 5.541836 2.011156 14.993011 0.000004 134 C 2.551122 0.964409 1.845107 -0.217982 37.089625 0.48296705E+03 0.11691777E+05 9.743068 7.388583 -0.059688 1.950895 0.998520 30.703721 90.444104 0.596907 0.423873 -1.056345 -0.030941 0.002926 -0.017766 0.035799 0.008787 0.004843 0.010832 -0.024352 0.068643 -0.026492 -0.002002 0.028495 11.259453 12.673277 -1.742161 3.418491 6.275988 1.528892 14.829095 0.000007 135 C 1.236160 0.015337 14.918413 0.296006 39.386366 0.32923714E+03 0.72469059E+04 10.341123 6.420415 0.197762 2.102428 0.999368 24.466011 68.867925 0.592671 0.469514 -1.029010 0.016990 0.011960 0.024516 0.032136 -0.049558 -0.084609 0.001484 0.009749 -0.236121 -0.124812 0.011386 0.113426 13.462674 11.255120 1.451969 9.141612 6.170217 2.552088 22.962684 0.000033 136 C 7.828878 13.378882 3.239427 0.394757 27.284291 0.31850747E+03 0.69916216E+04 8.264661 6.259125 -0.092361 2.006518 0.999551 24.323973 69.626354 0.604935 0.461253 -1.027863 -0.078023 0.065055 -0.015606 0.102778 -0.019945 0.004544 -0.021415 0.003215 -0.076064 -0.035674 -0.002344 0.038019 9.533416 10.320048 -4.420111 1.144741 10.204799 1.489729 8.075400 -0.000014 137 C 8.646957 13.354674 4.361252 -0.228098 35.682771 0.49657565E+03 0.12138459E+05 9.545523 7.534001 -0.168359 1.912168 0.998160 31.351670 93.642086 0.584562 0.428644 -1.050491 0.031884 -0.020484 0.024451 0.045100 0.003910 -0.023455 0.006129 -0.033470 -0.015699 -0.034440 0.013477 0.020963 10.783000 11.396044 -4.656622 2.157536 11.540879 1.312146 9.412077 -0.000001 138 C 9.653248 12.427404 4.486470 -0.093194 33.261810 0.44397005E+03 0.10546365E+05 9.097594 7.113887 -0.046858 1.953489 0.999620 29.905906 87.875433 0.603206 0.427456 -1.051876 -0.029000 0.017120 -0.011976 0.035743 0.012233 0.015036 -0.007506 0.016631 0.075265 -0.030857 -0.000670 0.031527 10.339747 9.943178 -4.621521 1.093663 12.607190 2.097221 8.468874 -0.000001 139 C 9.850822 11.481640 3.475435 0.010754 38.753066 0.42015995E+03 0.97343733E+04 9.838730 6.805558 0.106895 2.044441 0.999299 26.851449 75.117174 0.639541 0.413375 -1.072686 -0.015722 0.007134 0.002343 0.017423 -0.052265 0.019275 0.010918 -0.001812 -0.056270 -0.055465 -0.006614 0.062080 12.265860 12.224010 -7.320431 2.006364 15.688184 0.845546 8.885387 -0.000005 140 C 9.046139 11.509156 2.344654 -0.094097 31.684702 0.42859661E+03 0.10051002E+05 8.701489 6.923356 0.193652 2.033876 0.999845 29.162141 84.019339 0.622773 0.419388 -1.061197 -0.028054 0.023329 0.013741 0.038988 0.009397 -0.004034 0.019531 -0.015228 0.065110 -0.026640 -0.005784 0.032425 9.712826 9.827056 -4.391779 2.095466 10.834475 0.522545 8.476949 -0.000001 141 C 8.050895 12.451763 2.223747 -0.219295 34.285942 0.47798489E+03 0.11512426E+05 9.160365 7.309498 0.059071 1.988042 0.999156 30.366132 88.497492 0.606682 0.419172 -1.061943 0.014576 -0.032768 -0.015436 0.039045 -0.008114 0.021717 -0.007257 0.016600 0.008876 -0.016916 -0.012778 0.029694 10.232585 10.048019 -4.486948 0.872474 11.711122 1.460716 8.938614 -0.000003 142 C 10.833804 10.446411 3.615248 0.302107 40.000928 0.32160672E+03 0.70198042E+04 10.373050 6.294011 0.355952 2.154340 0.999783 24.124700 67.066745 0.607498 0.461914 -1.035832 -0.020779 0.023795 -0.001638 0.031634 0.080152 0.014013 0.043570 0.018179 0.269442 -0.128147 0.015749 0.112399 13.738173 15.554081 -11.197949 1.275839 19.748414 -1.485059 5.912023 0.000041 143 C 7.588219 2.546647 4.515494 0.405708 28.159464 0.30140355E+03 0.64961258E+04 8.317559 5.995920 0.019520 2.044036 0.998942 23.629926 66.042725 0.635339 0.447295 -1.040473 -0.079676 -0.060963 0.015482 0.101511 0.020437 0.000375 -0.025261 0.024898 -0.026879 -0.037891 0.005007 0.032885 9.979501 10.654528 3.735283 -1.795151 13.559794 1.242683 5.724182 -0.000003 144 C 8.735653 2.231944 3.802661 -0.247105 37.589312 0.51120030E+03 0.12570500E+05 9.847764 7.614428 -0.144989 1.912667 0.998505 31.655920 94.428118 0.585639 0.425319 -1.053916 0.039499 0.011507 -0.010851 0.042548 0.007123 0.016847 -0.000306 -0.048325 0.008377 -0.034165 0.010090 0.024075 11.276249 12.678986 3.250572 -2.784356 14.146018 1.299895 7.003744 0.000003 145 C 9.724550 3.165529 3.617570 -0.095879 34.560220 0.43886770E+03 0.10401622E+05 9.327675 7.061170 -0.069945 1.942387 0.999628 30.040087 88.351442 0.606579 0.426041 -1.052087 -0.032035 -0.011085 0.012390 0.036092 -0.013395 -0.018636 -0.001432 0.031915 0.066947 -0.033215 -0.001545 0.034760 10.796239 10.733458 2.957284 -1.823304 15.454568 1.761187 6.200691 0.000004 146 C 9.597558 4.432162 4.168034 0.011260 37.765285 0.40176008E+03 0.92040109E+04 9.640565 6.632523 0.139426 2.058610 0.999304 26.524642 73.775278 0.651139 0.410603 -1.074544 -0.012490 -0.005426 -0.002251 0.013802 0.038203 -0.019784 0.004642 -0.006391 -0.120835 -0.050802 -0.008713 0.059515 11.876536 12.965704 4.926761 -2.451702 16.349798 0.943123 6.314105 0.000008 147 C 8.475335 4.730326 4.906574 -0.090790 33.365933 0.44431246E+03 0.10566844E+05 9.170527 7.150086 -0.062486 1.953068 0.999136 29.801753 87.900434 0.596876 0.431485 -1.048389 -0.018620 -0.031089 -0.015240 0.039313 -0.008773 0.010580 0.011066 -0.028695 0.020864 -0.025853 0.005702 0.020151 10.356709 11.644067 2.533125 -2.627402 12.911850 1.179034 6.514208 0.000003 148 C 7.477958 3.803958 5.085197 -0.214769 35.706916 0.46397121E+03 0.11103057E+05 9.452413 7.206584 0.063841 1.995794 0.998725 30.111912 87.757194 0.609755 0.419758 -1.060522 0.001414 0.037524 -0.004556 0.037826 0.011041 -0.007338 -0.016438 0.044044 0.000299 -0.031604 0.002318 0.029286 10.907709 10.635973 2.997994 -1.854918 15.782240 1.619464 6.304913 0.000001 149 C 10.606505 5.432206 3.979294 0.313612 37.527357 0.31603095E+03 0.68748219E+04 9.970200 6.262263 0.265156 2.127024 0.999725 23.991972 66.801243 0.605076 0.465333 -1.032899 -0.025084 -0.022658 -0.000006 0.033802 -0.102227 -0.018103 0.049181 -0.002789 0.126848 -0.126352 0.012518 0.113834 12.785688 15.542858 10.351615 -1.211801 17.222551 -1.495208 5.591655 0.000072 150 C 4.479244 14.526280 6.455966 0.404102 27.938195 0.31238348E+03 0.68072349E+04 8.345384 6.156370 -0.011385 2.035339 0.999547 23.953097 67.768099 0.617776 0.454980 -1.033926 0.068366 -0.024286 -0.070942 0.101472 0.000930 -0.024693 0.018697 0.010258 -0.018095 -0.032923 0.002290 0.030633 9.856810 10.376315 -1.320152 -3.241903 5.304176 -1.277113 13.889939 -0.000005 151 C 2.328110 0.204941 7.281413 -0.103463 34.979187 0.44590091E+03 0.10602962E+05 9.371798 7.100195 -0.040248 1.951660 0.999601 30.125286 88.543943 0.607553 0.423968 -1.054109 0.028036 -0.022304 -0.021148 0.041602 -0.013365 0.009801 0.002888 0.007443 -0.070511 -0.026931 0.000534 0.026397 10.793629 10.437891 -1.512612 -2.711408 6.126204 -1.843962 15.816792 0.000002 152 C 3.247665 0.116980 6.261089 -0.246772 37.116935 0.52507549E+03 0.13005855E+05 9.785686 7.743497 -0.176100 1.903175 0.998130 31.864650 95.574849 0.577438 0.428237 -1.051515 -0.044338 0.001396 0.011729 0.045884 0.015413 0.000035 -0.004072 -0.022753 0.073550 -0.031478 0.006187 0.025291 11.035650 12.527345 -2.133018 -3.107059 6.593328 -0.997297 13.986276 -0.000000 153 C 2.623951 14.707764 8.530944 0.000896 39.231534 0.40924000E+03 0.93920008E+04 9.781003 6.623255 0.132019 2.044873 0.999175 26.749339 73.778747 0.663942 0.401972 -1.083337 0.009946 -0.007773 -0.010530 0.016438 -0.022755 -0.041249 -0.010374 0.075110 0.099209 -0.065731 -0.003425 0.069156 12.235001 12.736905 -1.734825 -5.294302 5.988386 -1.373685 17.979712 0.000002 154 C 3.853600 14.098656 8.744727 -0.096270 33.461364 0.44634150E+03 0.10603044E+05 9.141355 7.143021 0.025353 1.982234 0.999180 29.603818 86.620827 0.601471 0.428675 -1.052494 0.016346 0.007619 -0.031831 0.036585 0.000784 0.021838 -0.012103 -0.001990 0.027797 -0.024368 -0.003437 0.027805 10.294398 11.568528 -1.926420 -2.789919 5.892788 -1.272251 13.421879 -0.000001 155 C 4.764555 14.007237 7.721253 -0.213176 34.256001 0.45893751E+03 0.10936394E+05 9.136751 7.135478 0.111663 2.006214 0.999441 30.067910 87.020194 0.617819 0.416029 -1.064474 -0.003368 -0.009631 0.033698 0.035209 -0.019865 -0.011305 0.017077 0.025526 -0.027112 -0.026833 -0.008903 0.035737 10.377689 10.047468 -1.142740 -2.624643 5.758968 -1.722854 15.326631 -0.000002 156 C 1.684553 14.773772 9.617940 0.302074 39.677476 0.31506794E+03 0.68300181E+04 10.246199 6.189287 0.365835 2.156532 0.999869 23.947766 65.972474 0.619698 0.455941 -1.041009 0.017892 -0.005088 -0.024118 0.030458 -0.027202 0.109595 -0.026707 -0.046516 -0.117819 -0.132526 0.021658 0.110868 13.601723 14.798298 -0.314369 -11.241633 5.625349 0.556815 20.381524 0.000039 157 C 3.572062 6.956706 10.273056 0.404179 27.934044 0.30617251E+03 0.66253128E+04 8.281825 6.053652 -0.018226 2.030684 0.999172 23.739850 66.497397 0.630617 0.448849 -1.039500 0.043266 -0.026612 0.088222 0.101800 -0.019917 0.014759 -0.010303 -0.016120 0.065165 -0.033213 -0.001063 0.034275 9.855620 10.606284 1.294258 3.495449 5.318486 -1.102567 13.642090 -0.000013 158 C 4.207263 7.546418 9.188216 -0.240735 36.541177 0.47788925E+03 0.11501550E+05 9.522920 7.269127 0.128183 2.009463 0.999634 30.495971 88.641328 0.613774 0.414637 -1.065575 0.003394 0.014304 -0.040067 0.042679 -0.001330 0.014919 0.007104 0.010614 -0.063266 -0.027902 0.006694 0.021207 11.014623 11.051885 1.342128 3.071989 5.784088 -0.976225 16.207896 0.000003 159 C 3.539332 7.712716 8.004031 -0.089507 33.572402 0.43273469E+03 0.10201554E+05 9.134063 7.004033 0.002383 1.973506 0.999567 29.467500 85.920729 0.611161 0.425115 -1.054587 0.008973 -0.013538 0.035504 0.039043 0.010437 -0.026084 -0.008421 -0.010980 -0.001583 -0.029196 -0.001253 0.030449 10.561371 11.555781 1.232103 3.549485 5.506602 -0.754197 14.621731 -0.000005 160 C 2.221055 7.305541 7.865710 0.004396 38.984126 0.41746896E+03 0.96573043E+04 9.843656 6.762367 -0.000137 2.004504 0.999187 27.016570 75.542003 0.644570 0.410776 -1.074290 0.009202 -0.005233 0.010884 0.015183 0.014969 0.034052 -0.026054 0.059676 0.135679 -0.066751 -0.000464 0.067214 12.223436 12.100952 0.822784 4.523044 5.900028 -2.197887 18.669329 -0.000001 161 C 1.578041 6.722596 8.949721 -0.106560 33.569036 0.42964246E+03 0.10088650E+05 9.033337 6.907490 0.145996 2.013107 0.999799 29.527850 85.321072 0.626348 0.416452 -1.062327 0.023721 -0.000230 0.024100 0.033817 0.019774 -0.006442 0.006748 0.028343 -0.076483 -0.029954 -0.007235 0.037190 10.314821 10.409908 1.066028 2.006009 5.541777 -2.011125 14.992779 0.000002 162 C 2.250813 6.553591 10.137721 -0.217954 37.088792 0.48295563E+03 0.11691433E+05 9.742963 7.388525 -0.059745 1.950888 0.998519 30.703163 90.442224 0.596906 0.423877 -1.056342 -0.030950 -0.002911 -0.017759 0.035802 -0.008791 0.004849 -0.010830 -0.024363 0.068606 -0.026494 -0.001994 0.028487 11.259318 12.673141 1.742139 3.418431 6.275930 -1.528868 14.828882 0.000006 163 C 1.536469 7.502663 6.625799 0.296057 39.385642 0.32923167E+03 0.72467632E+04 10.341033 6.420385 0.197711 2.102414 0.999368 24.465825 68.867540 0.592668 0.469518 -1.029007 0.016977 -0.011950 0.024513 0.032124 0.049559 -0.084615 -0.001481 0.009760 -0.236133 -0.124820 0.011387 0.113434 13.462520 11.255017 -1.451947 9.141473 6.170169 -2.552043 22.962375 0.000047 164 C 7.528569 9.175118 11.532041 0.394747 27.284260 0.31850668E+03 0.69916019E+04 8.264666 6.259125 -0.092367 2.006516 0.999551 24.323971 69.626404 0.604934 0.461254 -1.027862 -0.078024 -0.065061 -0.015607 0.102783 0.019948 0.004545 0.021412 0.003217 -0.076082 -0.035677 -0.002346 0.038023 9.533425 10.320042 4.420100 1.144751 10.204809 -1.489741 8.075423 -0.000011 165 C 8.346648 9.199326 12.653866 -0.228110 35.683144 0.49658129E+03 0.12138636E+05 9.545598 7.534048 -0.168374 1.912160 0.998160 31.351896 93.643053 0.584560 0.428645 -1.050490 0.031894 0.020474 0.024444 0.045098 -0.003910 -0.023452 -0.006138 -0.033465 -0.015711 -0.034437 0.013470 0.020967 10.783099 11.396165 4.656674 2.157576 11.540977 -1.312147 9.412155 -0.000003 166 C 9.352940 10.126596 12.779084 -0.093203 33.262046 0.44397257E+03 0.10546451E+05 9.097653 7.113914 -0.046918 1.953467 0.999620 29.906125 87.876492 0.603203 0.427457 -1.051875 -0.028985 -0.017133 -0.011986 0.035740 -0.012229 0.015041 0.007500 0.016640 0.075243 -0.030851 -0.000674 0.031525 10.339828 9.943256 4.621544 1.093701 12.607265 -2.097245 8.468962 0.000001 167 C 9.550514 11.072360 11.768049 0.010748 38.753043 0.42015820E+03 0.97343281E+04 9.838751 6.805560 0.106871 2.044434 0.999299 26.851405 75.117175 0.639539 0.413377 -1.072684 -0.015707 -0.007142 0.002337 0.017412 0.052261 0.019274 -0.010917 -0.001802 -0.056287 -0.055461 -0.006618 0.062078 12.265899 12.224043 7.320442 2.006382 15.688222 -0.845570 8.885433 -0.000005 168 C 8.745830 11.044844 10.637268 -0.094119 31.685159 0.42860283E+03 0.10051189E+05 8.701569 6.923400 0.193638 2.033865 0.999845 29.162466 84.020562 0.622771 0.419387 -1.061197 -0.028047 -0.023335 0.013736 0.038985 -0.009395 -0.004035 -0.019534 -0.015223 0.065099 -0.026638 -0.005787 0.032425 9.712928 9.827159 4.391833 2.095495 10.834589 -0.522564 8.477036 -0.000001 169 C 7.750586 10.102237 10.516361 -0.219296 34.285751 0.47798013E+03 0.11512284E+05 9.160325 7.309452 0.059067 1.988041 0.999156 30.366069 88.497259 0.606685 0.419171 -1.061943 0.014577 0.032767 -0.015437 0.039044 0.008111 0.021716 0.007259 0.016609 0.008874 -0.016913 -0.012781 0.029695 10.232547 10.047986 4.486922 0.872500 11.711056 -1.460708 8.938600 -0.000005 170 C 10.533496 12.107589 11.907862 0.302052 40.001712 0.32161256E+03 0.70199608E+04 10.373166 6.294058 0.356016 2.154355 0.999783 24.124955 67.067518 0.607498 0.461913 -1.035833 -0.020768 -0.023813 -0.001642 0.031639 -0.080154 0.014015 -0.043567 0.018178 0.269422 -0.128144 0.015750 0.112394 13.738358 15.554298 11.198141 1.275860 19.748703 1.485078 5.912073 0.000032 171 C 7.287911 4.971353 12.808108 0.405699 28.159629 0.30140491E+03 0.64961674E+04 8.317611 5.995944 0.019485 2.044024 0.998942 23.630033 66.043257 0.635335 0.447297 -1.040471 -0.079675 0.060968 0.015491 0.101515 -0.020439 0.000374 0.025259 0.024898 -0.026900 -0.037890 0.005001 0.032889 9.979577 10.654612 -3.735315 -1.795167 13.559905 -1.242696 5.724214 -0.000003 172 C 8.435344 5.286056 12.095275 -0.247117 37.589772 0.51120748E+03 0.12570731E+05 9.847875 7.614502 -0.145030 1.912652 0.998505 31.656158 94.429290 0.585633 0.425321 -1.053913 0.039507 -0.011500 -0.010837 0.042550 -0.007123 0.016846 0.000301 -0.048325 0.008366 -0.034162 0.010084 0.024078 11.276393 12.679187 -3.250627 -2.784405 14.146174 -1.299899 7.003819 0.000002 173 C 9.424242 4.352471 11.910184 -0.095887 34.560456 0.43887001E+03 0.10401706E+05 9.327757 7.061211 -0.070029 1.942361 0.999628 30.040262 88.352532 0.606574 0.426043 -1.052083 -0.032023 0.011092 0.012407 0.036089 0.013391 -0.018635 0.001427 0.031919 0.066925 -0.033208 -0.001548 0.034756 10.796349 10.733594 -2.957279 -1.823348 15.454703 -1.761215 6.200750 0.000003 174 C 9.297249 3.085838 12.460648 0.011250 37.765509 0.40176106E+03 0.92040463E+04 9.640629 6.632547 0.139399 2.058600 0.999304 26.524716 73.775730 0.651135 0.410605 -1.074542 -0.012479 0.005430 -0.002237 0.013792 -0.038201 -0.019782 -0.004639 -0.006381 -0.120843 -0.050800 -0.008714 0.059514 11.876637 12.965817 -4.926792 -2.451732 16.349948 -0.943143 6.314148 0.000009 175 C 8.175027 2.787674 13.199188 -0.090818 33.366655 0.44432268E+03 0.10567150E+05 9.170640 7.150151 -0.062460 1.953068 0.999137 29.802246 87.902204 0.596875 0.431483 -1.048390 -0.018616 0.031092 -0.015230 0.039309 0.008774 0.010578 -0.011070 -0.028699 0.020836 -0.025852 0.005698 0.020154 10.356854 11.644244 -2.533156 -2.627449 12.912037 -1.179056 6.514283 0.000000 176 C 7.177650 3.714042 13.377811 -0.214781 35.707289 0.46397569E+03 0.11103199E+05 9.452492 7.206627 0.063809 1.995781 0.998725 30.112124 87.758148 0.609752 0.419759 -1.060521 0.001419 -0.037521 -0.004550 0.037822 -0.011040 -0.007340 0.016439 0.044050 0.000283 -0.031605 0.002315 0.029290 10.907817 10.636092 -2.998023 -1.854945 15.782399 -1.619484 6.304961 -0.000001 177 C 10.306196 2.085794 12.271908 0.313563 37.528060 0.31603614E+03 0.68749588E+04 9.970296 6.262297 0.265216 2.127038 0.999725 23.992211 66.801894 0.605077 0.465331 -1.032901 -0.025073 0.022673 0.000005 0.033804 0.102227 -0.018102 -0.049177 -0.002786 0.126831 -0.126348 0.012518 0.113830 12.785845 15.543052 -10.351783 -1.211819 17.222788 1.495228 5.591696 0.000065 178 C 4.178935 8.027720 14.748580 0.404116 27.937768 0.31237856E+03 0.68070979E+04 8.345307 6.156326 -0.011349 2.035357 0.999547 23.952801 67.767022 0.617777 0.454981 -1.033926 0.068366 0.024286 -0.070938 0.101469 -0.000935 -0.024687 -0.018701 0.010248 -0.018112 -0.032926 0.002300 0.030625 9.856707 10.376212 1.320138 -3.241844 5.304134 1.277103 13.889775 -0.000001 179 C 2.027801 7.313059 15.574027 -0.103436 34.978052 0.44588503E+03 0.10602487E+05 9.371619 7.100085 -0.040269 1.951665 0.999601 30.124561 88.541311 0.607555 0.423970 -1.054108 0.028035 0.022307 -0.021150 0.041604 0.013358 0.009805 -0.002888 0.007429 -0.070512 -0.026933 0.000544 0.026389 10.793396 10.437691 1.512596 -2.711275 6.126106 1.843933 15.816392 0.000009 180 C 2.947357 7.401020 14.553703 -0.246748 37.115921 0.52505986E+03 0.13005367E+05 9.785537 7.743405 -0.176129 1.903177 0.998129 31.863970 95.572362 0.577439 0.428239 -1.051514 -0.044342 -0.001396 0.011727 0.045887 -0.015417 0.000037 0.004067 -0.022759 0.073514 -0.031477 0.006200 0.025277 11.035459 12.527153 2.132990 -3.106946 6.593244 0.997288 13.985981 -0.000001 181 C 2.924259 7.846236 0.238330 0.000879 39.231466 0.40924174E+03 0.93920368E+04 9.780937 6.623232 0.132103 2.044898 0.999175 26.749398 73.778537 0.663949 0.401968 -1.083342 0.009949 0.007772 -0.010536 0.016443 0.022757 -0.041251 0.010373 0.075126 0.099207 -0.065737 -0.003425 0.069163 12.234889 12.736815 1.734825 -5.294194 5.988354 1.373682 17.979497 0.000005 182 C 4.153908 8.455344 0.452113 -0.096272 33.461641 0.44634598E+03 0.10603175E+05 9.141378 7.143037 0.025381 1.982237 0.999181 29.604064 86.621579 0.601473 0.428672 -1.052496 0.016349 -0.007627 -0.031833 0.036589 -0.000784 0.021846 0.012103 -0.001985 0.027802 -0.024374 -0.003439 0.027813 10.294420 11.568538 1.926421 -2.789894 5.892801 1.272270 13.421921 0.000007 183 C 4.464247 8.546763 16.013867 -0.213168 34.255746 0.45893392E+03 0.10936287E+05 9.136719 7.135462 0.111656 2.006215 0.999441 30.067743 87.019638 0.617819 0.416031 -1.064473 -0.003366 0.009625 0.033695 0.035204 0.019860 -0.011306 -0.017085 0.025524 -0.027116 -0.026838 -0.008898 0.035736 10.377645 10.047424 1.142728 -2.624626 5.758946 1.722844 15.326563 -0.000001 184 C 1.984861 7.780228 1.325326 0.302134 39.675859 0.31505563E+03 0.68296870E+04 10.245950 6.189180 0.365827 2.156536 0.999869 23.947284 65.970915 0.619701 0.455943 -1.041008 0.017875 0.005081 -0.024118 0.030447 0.027207 0.109607 0.026709 -0.046506 -0.117837 -0.132538 0.021656 0.110882 13.601339 14.797895 0.314362 -11.241253 5.625231 -0.556800 20.380890 0.000060 185 N 10.560309 7.253667 14.354017 -0.414703 56.310060 0.60980259E+03 0.15241012E+05 11.857650 7.910585 0.630042 2.171002 0.999753 30.778623 84.517581 0.636828 0.384821 -1.111108 0.010822 -0.006027 -0.020624 0.024058 0.007713 0.089908 0.004043 -0.057127 -0.175296 -0.123535 0.052275 0.071260 15.214564 17.269334 -0.186100 -11.292126 7.279521 -0.346425 21.094837 0.000004 186 N 0.575192 2.058729 4.594108 -0.408524 54.765557 0.59713912E+03 0.14837601E+05 11.662171 7.824477 0.762270 2.220583 0.999512 30.423985 83.138702 0.641138 0.384473 -1.112020 -0.016655 -0.017813 0.005729 0.025050 -0.087215 0.003324 -0.024455 0.032808 0.225307 -0.127684 0.041760 0.085924 14.930372 17.025119 10.529531 1.064405 20.593667 1.297346 7.172331 0.000008 187 N 0.782758 13.786508 4.431241 -0.414558 53.878512 0.61004657E+03 0.15262560E+05 11.556203 7.940843 0.636829 2.176015 0.999637 30.769985 84.789098 0.631597 0.387616 -1.108088 -0.015150 0.023282 0.002420 0.027882 0.092996 0.002212 -0.023575 0.023036 0.157711 -0.122099 0.045780 0.076319 14.412748 17.649965 -10.357196 -0.512090 18.501693 1.143579 7.086585 0.000026 188 N 10.826497 7.350499 10.960182 -0.402136 54.453873 0.62262380E+03 0.15659610E+05 11.672753 8.047441 0.604786 2.172247 0.999169 30.650957 84.732038 0.624352 0.390051 -1.106163 0.007640 -0.000777 0.022708 0.023971 0.036804 -0.069899 0.015162 -0.015770 -0.268052 -0.125201 0.034965 0.090236 14.609988 13.299795 -1.244847 8.972416 7.835553 -2.363114 22.694615 -0.000003 189 N 10.860618 0.264333 6.061403 -0.414738 56.310643 0.60981416E+03 0.15241364E+05 11.857720 7.910654 0.630066 2.171010 0.999753 30.778897 84.518340 0.636827 0.384821 -1.111109 0.010832 0.006025 -0.020617 0.024055 -0.007717 0.089909 -0.004048 -0.057108 -0.175267 -0.123529 0.052262 0.071267 15.214627 17.269424 0.186096 -11.292151 7.279559 0.346430 21.094897 0.000003 190 N 0.274884 5.459271 12.886722 -0.408522 54.766573 0.59714861E+03 0.14837904E+05 11.662310 7.824539 0.762281 2.220579 0.999512 30.424244 83.139762 0.641135 0.384473 -1.112019 -0.016672 0.017798 0.005734 0.025053 0.087218 0.003323 0.024453 0.032809 0.225287 -0.127683 0.041765 0.085918 14.930588 17.025361 -10.529731 1.064423 20.594005 -1.297366 7.172398 0.000004 191 N 0.482449 8.767492 12.723855 -0.414560 53.879371 0.61005419E+03 0.15262805E+05 11.556315 7.940886 0.636851 2.176014 0.999638 30.770222 84.790027 0.631596 0.387615 -1.108088 -0.015169 -0.023265 0.002415 0.027878 -0.092999 0.002215 0.023570 0.023039 0.157704 -0.122101 0.045785 0.076316 14.412927 17.650191 10.357373 -0.512107 18.501949 -1.143600 7.086641 0.000026 192 N 11.126806 0.167501 2.667568 -0.402168 54.454604 0.62263701E+03 0.15660023E+05 11.672865 8.047536 0.604754 2.172238 0.999168 30.651228 84.732970 0.624348 0.390052 -1.106163 0.007651 0.000785 0.022700 0.023967 -0.036804 -0.069901 -0.015161 -0.015747 -0.268031 -0.125195 0.034960 0.090236 14.610104 13.299913 1.244851 8.972464 7.835615 2.363116 22.694785 0.000005 193 N 0.987365 14.771667 10.523825 -0.414694 56.309180 0.60979189E+03 0.15240673E+05 11.857527 7.910513 0.630052 2.171010 0.999753 30.778347 84.516560 0.636832 0.384821 -1.111108 -0.010821 -0.006029 0.020628 0.024062 -0.007712 0.089906 -0.004044 -0.057126 -0.175290 -0.123532 0.052274 0.071259 15.214392 17.269144 0.186098 -11.291983 7.279453 0.346421 21.094579 -0.000000 194 N 11.573099 9.576729 3.698506 -0.408519 54.765817 0.59714303E+03 0.14837721E+05 11.662199 7.824498 0.762255 2.220577 0.999512 30.424091 83.139031 0.641138 0.384473 -1.112020 0.016655 -0.017807 -0.005731 0.025046 0.087216 0.003324 0.024457 0.032810 0.225314 -0.127686 0.041760 0.085926 14.930407 17.025164 -10.529551 1.064406 20.593705 -1.297347 7.172350 0.000006 195 N 11.365534 6.268508 3.861373 -0.414556 53.878735 0.61005014E+03 0.15262671E+05 11.556230 7.940864 0.636821 2.176012 0.999637 30.770072 84.789388 0.631597 0.387616 -1.108088 0.015150 0.023276 -0.002423 0.027878 -0.092997 0.002212 0.023575 0.023038 0.157719 -0.122102 0.045782 0.076320 14.412781 17.650014 10.357217 -0.512088 18.501725 -1.143579 7.086603 0.000024 196 N 0.721177 14.868499 13.917660 -0.402133 54.452945 0.62261183E+03 0.15659229E+05 11.672618 8.047359 0.604798 2.172256 0.999169 30.650668 84.730934 0.624356 0.390050 -1.106164 -0.007641 -0.000779 -0.022710 0.023974 -0.036803 -0.069898 -0.015160 -0.015766 -0.268046 -0.125198 0.034963 0.090234 14.609804 13.299621 1.244830 8.972284 7.835468 2.363082 22.694321 -0.000002 197 N 1.287674 7.782333 2.231211 -0.414750 56.311372 0.60982402E+03 0.15241673E+05 11.857816 7.910716 0.630053 2.171002 0.999753 30.779154 84.519229 0.636824 0.384821 -1.111109 -0.010830 0.006022 0.020613 0.024051 0.007718 0.089911 0.004049 -0.057108 -0.175269 -0.123531 0.052261 0.071270 15.214755 17.269558 -0.186097 -11.292248 7.279614 -0.346434 21.095093 0.000013 198 N 11.272791 12.977271 11.991120 -0.408519 54.765771 0.59713890E+03 0.14837600E+05 11.662198 7.824473 0.762292 2.220587 0.999512 30.424003 83.138866 0.641138 0.384473 -1.112019 0.016675 0.017800 -0.005731 0.025055 -0.087215 0.003324 -0.024453 0.032807 0.225279 -0.127679 0.041762 0.085916 14.930432 17.025181 10.529606 1.064413 20.593781 1.297352 7.172333 0.000003 199 N 11.065225 1.249492 12.153987 -0.414554 53.878605 0.61004457E+03 0.15262500E+05 11.556204 7.940819 0.636866 2.176023 0.999637 30.769984 84.789114 0.631599 0.387615 -1.108089 0.015169 -0.023267 -0.002412 0.027879 0.092998 0.002215 -0.023570 0.023036 0.157698 -0.122099 0.045783 0.076316 14.412775 17.649997 -10.357247 -0.512103 18.501751 1.143590 7.086576 0.000023 200 N 1.021486 7.685501 5.625046 -0.402173 54.455378 0.62264781E+03 0.15660365E+05 11.672974 8.047607 0.604735 2.172229 0.999168 30.651483 84.733910 0.624345 0.390052 -1.106162 -0.007647 0.000784 -0.022697 0.023964 0.036806 -0.069902 0.015160 -0.015749 -0.268035 -0.125197 0.034959 0.090238 14.610249 13.300046 -1.244863 8.972561 7.835686 -2.363141 22.695014 0.000001 201 O 7.668269 8.279122 5.144406 -0.658530 46.780272 0.58734389E+03 0.14422984E+05 10.302589 7.417001 0.135811 2.093641 0.996201 28.274906 74.911615 0.710146 0.351233 -1.146199 0.105567 0.030235 0.114797 0.158861 -0.027870 0.037205 -0.001315 0.001530 0.134166 -0.057203 -0.006172 0.063374 12.873673 13.528978 -0.010832 8.714421 6.723480 -0.410191 18.368560 -0.000003 202 O 5.299088 6.762591 5.205274 -0.670727 49.328006 0.67266254E+03 0.17066726E+05 10.596870 7.938887 0.027120 2.057157 0.993675 28.746942 77.105309 0.687068 0.351361 -1.147510 -0.104957 -0.109526 0.044015 0.157954 0.044057 0.005827 0.026949 0.004710 -0.137996 -0.056930 -0.014698 0.071627 12.611280 15.898255 7.731152 -1.191811 14.041263 -1.059231 7.894321 -0.000005 203 O 5.542159 9.188650 3.591034 -0.669491 49.428975 0.60359700E+03 0.14899014E+05 10.622287 7.472463 0.209147 2.111546 0.997418 28.359831 74.926801 0.715293 0.346906 -1.151653 -0.089184 0.136944 -0.028037 0.165811 -0.051561 0.007147 0.031331 0.024302 -0.044418 -0.063435 0.000327 0.063108 13.475558 15.110619 -10.035771 0.521332 18.370863 -0.792948 6.945191 -0.000000 204 O 6.774229 6.857769 2.806386 -0.657243 45.779030 0.60806411E+03 0.15083226E+05 10.187156 7.582362 0.011481 2.050331 0.994962 28.623354 76.573448 0.696419 0.354561 -1.141874 0.077215 -0.048917 -0.130103 0.159003 -0.003098 -0.062639 -0.018229 0.009592 0.042097 -0.061496 -0.009250 0.070746 12.457959 12.479004 -0.943053 -8.125674 6.985130 1.232469 17.909742 -0.000000 205 O 7.367961 14.274878 13.437020 -0.658499 46.779061 0.58732797E+03 0.14422496E+05 10.302429 7.416915 0.135781 2.093641 0.996200 28.274489 74.910260 0.710148 0.351235 -1.146197 0.105559 -0.030238 0.114790 0.158851 0.027875 0.037206 0.001320 0.001522 0.134151 -0.057205 -0.006169 0.063374 12.873437 13.528759 0.010837 8.714224 6.723399 0.410192 18.368152 -0.000007 206 O 4.998780 0.755409 13.497888 -0.670747 49.328484 0.67267117E+03 0.17066995E+05 10.596917 7.938923 0.027170 2.057168 0.993675 28.747150 77.105916 0.687069 0.351359 -1.147511 -0.104973 0.109530 0.044015 0.157967 -0.044052 0.005827 -0.026943 0.004708 -0.137995 -0.056925 -0.014695 0.071620 12.611337 15.898311 -7.731180 -1.191820 14.041346 1.059242 7.894355 -0.000006 207 O 5.241850 13.365350 11.883648 -0.669515 49.429983 0.60361011E+03 0.14899421E+05 10.622422 7.472537 0.209178 2.111550 0.997418 28.360154 74.927890 0.715290 0.346905 -1.151653 -0.089195 -0.136953 -0.028035 0.165825 0.051553 0.007149 -0.031325 0.024298 -0.044426 -0.063425 0.000325 0.063099 13.475753 15.110808 10.035938 0.521328 18.371193 0.792958 6.945260 -0.000003 208 O 6.473921 0.660231 11.099000 -0.657212 45.778156 0.60805083E+03 0.15082817E+05 10.187051 7.582296 0.011435 2.050325 0.994961 28.622984 76.572296 0.696419 0.354563 -1.141872 0.077205 0.048921 -0.130093 0.158990 0.003100 -0.062643 0.018236 0.009594 0.042092 -0.061504 -0.009247 0.070751 12.457817 12.478866 0.943060 -8.125565 6.985076 -1.232461 17.909508 -0.000006 209 O 4.480022 0.761122 3.148208 -0.658529 46.780026 0.58734069E+03 0.14422883E+05 10.302546 7.416976 0.135824 2.093646 0.996201 28.274850 74.911364 0.710148 0.351233 -1.146199 -0.105569 0.030237 -0.114797 0.158863 0.027871 0.037204 0.001316 0.001529 0.134163 -0.057203 -0.006171 0.063374 12.873611 13.528898 0.010832 8.714369 6.723457 0.410189 18.368479 -0.000004 210 O 6.849203 14.280591 3.087340 -0.670723 49.327897 0.67266112E+03 0.17066681E+05 10.596856 7.938880 0.027113 2.057155 0.993674 28.746904 77.105184 0.687068 0.351361 -1.147509 0.104957 -0.109525 -0.044017 0.157953 -0.044057 0.005828 -0.026949 0.004710 -0.137999 -0.056930 -0.014697 0.071627 12.611259 15.898229 -7.731131 -1.191811 14.041232 1.059229 7.894317 -0.000006 211 O 6.606133 1.670650 4.701580 -0.669492 49.429004 0.60359751E+03 0.14899030E+05 10.622288 7.472464 0.209151 2.111547 0.997418 28.359856 74.926867 0.715293 0.346906 -1.151653 0.089182 0.136947 0.028034 0.165813 0.051560 0.007147 -0.031331 0.024302 -0.044420 -0.063434 0.000327 0.063107 13.475555 15.110605 10.035767 0.521329 18.370871 0.792944 6.945189 -0.000001 212 O 5.374062 14.375769 5.486228 -0.657242 45.779280 0.60806742E+03 0.15083331E+05 10.187195 7.582384 0.011469 2.050326 0.994962 28.623428 76.573742 0.696417 0.354561 -1.141873 -0.077217 -0.048917 0.130102 0.159002 0.003099 -0.062639 0.018229 0.009591 0.042098 -0.061497 -0.009249 0.070746 12.458010 12.479045 0.943061 -8.125713 6.985155 -1.232478 17.909830 -0.000003 213 O 4.179714 6.756878 11.440822 -0.658497 46.779097 0.58732851E+03 0.14422514E+05 10.302438 7.416921 0.135774 2.093639 0.996200 28.274491 74.910296 0.710148 0.351235 -1.146197 -0.105560 -0.030235 -0.114788 0.158850 -0.027875 0.037206 -0.001320 0.001523 0.134153 -0.057205 -0.006169 0.063374 12.873450 13.528779 -0.010837 8.714235 6.723404 -0.410193 18.368166 -0.000007 214 O 6.548895 8.273409 11.379954 -0.670747 49.328461 0.67267088E+03 0.17066986E+05 10.596913 7.938922 0.027171 2.057169 0.993675 28.747148 77.105907 0.687069 0.351359 -1.147511 0.104972 0.109531 -0.044014 0.157966 0.044051 0.005826 0.026944 0.004709 -0.137994 -0.056924 -0.014695 0.071619 12.611330 15.898301 7.731176 -1.191819 14.041341 -1.059241 7.894349 -0.000005 215 O 6.305824 5.847350 12.994194 -0.669512 49.429797 0.60360784E+03 0.14899351E+05 10.622399 7.472526 0.209172 2.111550 0.997418 28.360091 74.927689 0.715290 0.346906 -1.151653 0.089195 -0.136951 0.028038 0.165823 -0.051554 0.007148 0.031325 0.024299 -0.044425 -0.063425 0.000325 0.063100 13.475720 15.110782 -10.035908 0.521328 18.371131 -0.792958 6.945248 -0.000002 216 O 5.073754 8.178231 13.778842 -0.657214 45.777949 0.60804831E+03 0.15082736E+05 10.187016 7.582277 0.011450 2.050331 0.994961 28.622933 76.572067 0.696421 0.354562 -1.141873 -0.077204 0.048922 0.130094 0.158992 -0.003101 -0.062643 -0.018236 0.009593 0.042091 -0.061504 -0.009247 0.070750 12.457768 12.478820 -0.943054 -8.125526 6.985053 1.232454 17.909432 -0.000003 ****************************************************** Auxiliary information for the entire system The total spin magnetic moment of the unit cell is 0.001704 The total net atomic charge of the unit cell is 0.000003 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= 37084 The rms potential error without charges in kcal/mol is= 3.42354 The rms potential error with partial charges in kcal/mol is= 1.51239 The RRMSE value at monopole order= 0.44176 The rms potential error with partial charges and cloud penetration in kcal/mol is= 1.51114 The RRMSE value at monopole order with cloud penetration is= 0.44140 The rms potential error with partial charges and atomic dipoles in kcal/mol is= 0.60927 The RRMSE value at dipole order= 0.17796 The rms potential error with partial charges, atomic dipoles and cloud penetration in kcal/mol is= 0.62090 The RRMSE value at dipole order with cloud penetration= 0.18136 ****************************************************** 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.