178 jmolscript: load "" {1 1 1} spacegroup "x,y,z" unitcell [{ 13.352000 0.000000 0.000000 }, { -6.676000 11.563171 0.000000 }, { 0.000000 0.000000 14.414000 }] Tb 0.000000 7.708704 2.415786 2.052894 Tb 6.676000 3.854467 4.791214 2.052932 Tb 6.676000 3.854467 11.998214 2.052894 Tb 0.000000 7.708704 9.622786 2.052932 Cu 3.338000 5.781586 0.000000 0.776140 Cu -3.338000 5.781586 0.000000 0.776151 Cu 6.676000 0.000000 0.000000 0.776151 Cu -3.338000 5.781586 7.207000 0.781087 Cu 3.338000 5.781586 7.207000 0.776039 Cu 6.676000 0.000000 7.207000 0.776125 H 10.851170 3.778844 6.071177 0.256914 H -1.522128 4.611393 4.404918 0.147469 H -0.484010 5.315590 5.346153 0.150434 H -0.275051 3.686339 6.878361 0.125376 H -1.417982 3.376446 7.910403 0.138125 H 4.522990 0.276360 6.071177 0.256797 H -1.921353 10.575676 4.404918 0.147442 H -1.830559 9.324541 5.346153 0.150425 H -3.346011 9.958203 6.878361 0.125383 H -3.042921 11.102957 7.910403 0.138067 H 4.653840 7.507967 6.071177 0.256792 H 3.443481 7.939273 4.404918 0.147440 H 2.314569 8.486211 5.346153 0.150407 H 3.621062 9.481800 6.878361 0.125345 H 4.460903 8.646939 7.910403 0.138072 H 4.175170 7.784327 1.135823 0.256800 H 5.153872 6.951778 2.802082 0.147434 H 6.191990 6.247581 1.860847 0.150402 H 6.400949 7.876832 0.328639 0.125338 H 5.258018 8.186725 13.710597 0.138047 H -2.153010 11.286811 1.135823 0.256796 H 4.754647 0.987495 2.802082 0.147432 H 4.845441 2.238630 1.860847 0.150401 H 3.329989 1.604968 0.328639 0.125334 H 3.633079 0.460214 13.710597 0.138031 H -2.022160 4.055204 1.135823 0.256802 H 10.119481 3.623898 2.802082 0.147439 H 8.990569 3.076960 1.860847 0.150411 H 10.297062 2.081371 0.328639 0.125340 H 11.136903 2.916232 13.710597 0.138037 H -4.175170 7.784327 8.342823 0.256914 H 8.198128 6.951778 10.009082 0.147470 H 7.160010 6.247581 9.067847 0.150434 H 6.951051 7.876832 7.535639 0.125378 H 8.093982 8.186725 6.503597 0.138128 H 2.153010 11.286811 8.342823 0.256797 H 8.597353 0.987495 10.009082 0.147443 H 8.506559 2.238630 9.067847 0.150425 H 10.022011 1.604968 7.535639 0.125385 H 9.718921 0.460214 6.503597 0.138070 H 2.022160 4.055204 8.342823 0.256792 H 3.232519 3.623898 10.009082 0.147441 H 4.361431 3.076960 9.067847 0.150407 H 3.054938 2.081371 7.535639 0.125348 H 2.215097 2.916232 6.503597 0.138075 H 2.500830 3.778844 13.278177 0.256800 H 1.522128 4.611393 11.611918 0.147434 H 0.484010 5.315590 12.553153 0.150402 H 0.275051 3.686339 14.085361 0.125342 H 1.417982 3.376446 0.703403 0.138050 H 8.829010 0.276360 13.278177 0.256797 H 1.921353 10.575676 11.611918 0.147432 H 1.830559 9.324541 12.553153 0.150401 H 3.346011 9.958203 14.085361 0.125337 H 3.042921 11.102957 0.703403 0.138035 H 8.698160 7.507967 13.278177 0.256803 H -3.443481 7.939273 11.611918 0.147439 H -2.314569 8.486211 12.553153 0.150411 H -3.621062 9.481800 14.085361 0.125343 H -4.460903 8.646939 0.703403 0.138041 C -2.065554 6.500815 4.897877 0.690397 C -1.430667 5.183770 5.183274 -0.244991 C -0.572801 5.242742 8.211656 0.644108 C -1.036115 4.065611 7.343933 -0.223710 C -0.013352 10.101586 4.897877 0.690204 C -1.471390 10.210280 5.183274 -0.245097 C -1.849252 9.437860 8.211656 0.644141 C -2.637020 10.427668 7.343933 -0.223905 C 2.078906 6.523941 4.897877 0.690294 C 2.902057 7.732292 5.183274 -0.245088 C 2.422053 8.445740 8.211656 0.644196 C 3.673135 8.633063 7.343933 -0.223936 C 4.610446 5.062356 2.309123 0.690246 C 5.245333 6.379401 2.023726 -0.245087 C 6.103199 6.320429 13.409344 0.644145 C 5.639885 7.497560 14.277067 -0.223911 C 6.662648 1.461585 2.309123 0.690222 C 5.204610 1.352891 2.023726 -0.245086 C 4.826748 2.125311 13.409344 0.644147 C 4.038980 1.135503 14.277067 -0.223905 C 8.754906 5.039230 2.309123 0.690205 C 9.578057 3.830879 2.023726 -0.245081 C 9.098053 3.117431 13.409344 0.644143 C 10.349135 2.930108 14.277067 -0.223903 C 8.741554 5.062356 9.516123 0.690397 C 8.106667 6.379401 9.230726 -0.244991 C 7.248801 6.320429 6.202344 0.644109 C 7.712115 7.497560 7.070067 -0.223712 C 6.689352 1.461585 9.516123 0.690204 C 8.147390 1.352891 9.230726 -0.245098 C 8.525252 2.125311 6.202344 0.644141 C 9.313020 1.135503 7.070067 -0.223906 C 4.597094 5.039230 9.516123 0.690294 C 3.773943 3.830879 9.230726 -0.245088 C 4.253947 3.117431 6.202344 0.644196 C 3.002865 2.930108 7.070067 -0.223937 C 2.065554 6.500815 12.104877 0.690246 C 1.430667 5.183770 12.390274 -0.245087 C 0.572801 5.242742 1.004656 0.644145 C 1.036115 4.065611 0.136933 -0.223913 C 0.013352 10.101586 12.104877 0.690222 C 1.471390 10.210280 12.390274 -0.245086 C 1.849252 9.437860 1.004656 0.644147 C 2.637020 10.427668 0.136933 -0.223907 C -2.078906 6.523941 12.104877 0.690205 C -2.902057 7.732292 12.390274 -0.245081 C -2.422053 8.445740 1.004656 0.644143 C -3.673135 8.633063 0.136933 -0.223905 N -2.041521 4.507324 6.362340 -0.282467 N -1.751782 11.077518 6.362340 -0.281267 N 3.793303 7.541500 6.362340 -0.281373 N 4.634479 7.055847 0.844660 -0.281269 N 4.924218 0.485653 0.844660 -0.281275 N 10.469303 4.021671 0.844660 -0.281273 N 8.717521 7.055847 8.051660 -0.282467 N 8.427782 0.485653 8.051660 -0.281266 N 2.882697 4.021671 8.051660 -0.281372 N 2.041521 4.507324 13.569340 -0.281268 N 1.751782 11.077518 13.569340 -0.281275 N -3.793303 7.541500 13.569340 -0.281273 O -1.671670 7.155290 3.910518 -0.662086 O -2.998192 6.915933 5.654612 -0.530169 O -1.148272 6.352806 8.051660 -0.669510 O 0.337138 5.075076 9.046226 -0.614303 O 0.356498 9.433235 3.910518 -0.661889 O 0.812469 10.701715 5.654612 -0.529093 O -0.600172 9.381201 8.051660 -0.669113 O -2.449424 8.733663 9.046226 -0.614454 O 1.315172 6.537817 3.910518 -0.662045 O 2.185722 5.508695 5.654612 -0.529227 O 1.748444 7.392335 8.051660 -0.669105 O 2.112286 9.317603 9.046226 -0.614409 O 5.004330 4.407881 3.296482 -0.661956 O 3.677808 4.647238 1.552388 -0.529080 O 5.527728 5.210365 13.569340 -0.669125 O 7.013138 6.488095 12.574774 -0.614392 O 7.032498 2.129936 3.296482 -0.661923 O 7.488469 0.861456 1.552388 -0.529089 O 6.075828 2.181970 13.569340 -0.669142 O 4.226576 2.829508 12.574774 -0.614393 O 7.991172 5.025354 3.296482 -0.661999 O 8.861722 6.054476 1.552388 -0.529053 O 8.424444 4.170836 13.569340 -0.669122 O 8.788286 2.245568 12.574774 -0.614368 O 8.347670 4.407881 10.503482 -0.662086 O 9.674192 4.647238 8.759388 -0.530169 O 7.824272 5.210365 6.362340 -0.669510 O 6.338862 6.488095 5.367774 -0.614303 O 6.319502 2.129936 10.503482 -0.661889 O 5.863531 0.861456 8.759388 -0.529093 O 7.276172 2.181970 6.362340 -0.669113 O 9.125424 2.829508 5.367774 -0.614454 O 5.360828 5.025354 10.503482 -0.662046 O 4.490278 6.054476 8.759388 -0.529228 O 4.927556 4.170836 6.362340 -0.669105 O 4.563714 2.245568 5.367774 -0.614408 O 1.671670 7.155290 11.117518 -0.661956 O 2.998192 6.915933 12.861612 -0.529080 O 1.148272 6.352806 0.844660 -0.669125 O -0.337138 5.075076 1.839226 -0.614392 O -0.356498 9.433235 11.117518 -0.661923 O -0.812469 10.701715 12.861612 -0.529089 O 0.600172 9.381201 0.844660 -0.669142 O 2.449424 8.733663 1.839226 -0.614393 O -1.315172 6.537817 11.117518 -0.661999 O -2.185722 5.508695 12.861612 -0.529053 O -1.748444 7.392335 0.844660 -0.669122 O -2.112286 9.317603 1.839226 -0.614368 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 Tb 0.000000 7.708704 2.415786 2.052894 150.134421 0.36432294E+04 0.12833611E+06 18.140014 15.964887 2.399903 2.486295 0.999281 74.439675 172.946154 0.662777 0.262347 -1.356402 0.000051 -0.000056 0.005646 0.005646 0.000012 -0.000048 0.000021 0.000096 -0.072551 -0.024184 0.012042 0.012141 20.496699 17.556058 -0.000487 0.000594 17.555417 0.000093 26.378622 0.000741 2 Tb 6.676000 3.854467 4.791214 2.052932 150.133622 0.36431955E+04 0.12833468E+06 18.140039 15.964881 2.399886 2.486303 0.999281 74.438680 172.943952 0.662772 0.262349 -1.356399 0.000006 0.000071 -0.005619 0.005619 0.000037 0.000105 0.000085 -0.000007 -0.072482 -0.024161 0.012043 0.012118 20.496741 17.555394 0.000325 -0.000921 17.554913 0.000144 26.379915 0.003589 3 Tb 6.676000 3.854467 11.998214 2.052894 150.134449 0.36432302E+04 0.12833615E+06 18.140017 15.964889 2.399903 2.486295 0.999281 74.439677 172.946169 0.662777 0.262347 -1.356402 -0.000051 0.000056 -0.005646 0.005646 0.000012 -0.000048 0.000021 0.000096 -0.072551 -0.024184 0.012042 0.012141 20.496703 17.556061 -0.000488 0.000594 17.555421 0.000092 26.378627 0.000741 4 Tb 0.000000 7.708704 9.622786 2.052932 150.133628 0.36431957E+04 0.12833468E+06 18.140040 15.964881 2.399886 2.486303 0.999281 74.438681 172.943954 0.662772 0.262349 -1.356399 -0.000006 -0.000071 0.005618 0.005619 0.000037 0.000105 0.000085 -0.000007 -0.072482 -0.024161 0.012043 0.012118 20.496741 17.555395 0.000325 -0.000921 17.554913 0.000144 26.379916 0.003589 5 Cu 3.338000 5.781586 0.000000 0.776140 56.601525 0.11151571E+04 0.30816079E+05 12.482497 11.326669 1.417090 2.383870 0.995069 41.021539 100.442490 0.513766 0.431419 -1.135706 0.000000 -0.000000 0.000000 0.000000 -0.015710 -0.012367 -0.081619 -0.013525 0.071556 -0.080061 -0.012185 0.092246 13.965982 18.484379 -0.522804 4.295733 8.944555 -1.141533 14.469012 0.758372 6 Cu -3.338000 5.781586 0.000000 0.776151 56.602050 0.11151542E+04 0.30815993E+05 12.482611 11.326661 1.417094 2.383871 0.995069 41.021533 100.442634 0.513765 0.431420 -1.135705 0.000000 -0.000000 0.000000 0.000000 0.001993 -0.064509 0.051515 0.033981 0.071526 -0.080060 -0.012190 0.092250 13.966297 11.782703 4.392453 -3.136851 15.646724 -3.149752 14.469464 0.758395 7 Cu 6.676000 0.000000 0.000000 0.776151 56.601563 0.11151523E+04 0.30815922E+05 12.482525 11.326656 1.417051 2.383859 0.995069 41.021491 100.442432 0.513765 0.431420 -1.135705 -0.000000 -0.000000 0.000000 0.000000 0.013704 0.076877 0.030118 -0.020440 0.071551 -0.080071 -0.012189 0.092261 13.966063 10.876845 -3.869532 -1.159311 16.552275 4.291159 14.469071 0.758279 8 Cu -3.338000 5.781586 7.207000 0.781087 56.379364 0.11095857E+04 0.30618290E+05 12.440159 11.289872 1.435101 2.390063 0.995223 40.948258 100.133038 0.515273 0.430773 -1.136335 0.000000 -0.000000 -0.000000 0.000000 0.015531 0.012195 -0.081997 -0.014412 0.072242 -0.080046 -0.012843 0.092888 13.916581 18.410653 0.520177 -4.280933 8.917069 -1.138679 14.422022 -1.020685 9 Cu 3.338000 5.781586 7.207000 0.776039 56.609124 0.11152951E+04 0.30821184E+05 12.484332 11.327890 1.416749 2.383738 0.995065 41.023114 100.452081 0.513697 0.431459 -1.135668 -0.000000 0.000000 -0.000000 0.000000 -0.001944 0.064704 0.051434 0.033701 0.071700 -0.080055 -0.012332 0.092387 13.968506 11.784009 -4.393743 3.137942 15.648380 -3.150824 14.473129 0.762040 10 Cu 6.676000 0.000000 7.207000 0.776125 56.601334 0.11151463E+04 0.30815709E+05 12.482520 11.326627 1.417072 2.383869 0.995069 41.021380 100.442031 0.513766 0.431420 -1.135706 0.000000 0.000000 -0.000000 0.000000 -0.013717 -0.076857 0.030092 -0.020456 0.071501 -0.080053 -0.012174 0.092227 13.966024 10.875316 3.868532 1.159319 16.552158 4.291616 14.470598 0.758355 11 H 10.851170 3.778844 6.071177 0.256914 0.684301 0.45721649E+01 0.39834571E+02 1.390081 1.331641 -1.007825 2.467225 0.998966 3.010620 8.489057 0.483375 1.454399 -0.672697 -0.010080 -0.028015 -0.012201 0.032177 0.000636 0.003142 -0.008385 -0.008585 0.019961 -0.009172 -0.003728 0.012900 1.435720 1.549780 0.407745 0.129510 1.508074 0.081527 1.249307 -0.001330 12 H -1.522128 4.611393 4.404918 0.147469 0.974928 0.72456738E+01 0.69312173E+02 1.635225 1.580586 -0.718343 2.555686 0.999617 3.239849 8.919290 0.495207 1.292970 -0.707930 -0.002865 -0.019484 -0.024470 0.031411 0.002118 0.000947 0.001997 -0.010839 0.014896 -0.008326 0.001872 0.006453 1.661316 1.409405 0.133638 0.123130 1.517250 0.341990 2.057292 -0.000770 13 H -0.484010 5.315590 5.346153 0.150434 0.950092 0.72431235E+01 0.70647076E+02 1.710777 1.659948 -1.352652 2.255195 0.993083 3.721671 11.026767 0.440193 1.426574 -0.677389 0.028450 0.004851 0.008941 0.030214 0.006556 0.003025 0.000352 -0.000050 -0.000788 -0.006994 -0.000457 0.007451 1.738841 2.324304 0.197549 0.130282 1.388427 -0.041346 1.503792 -0.000036 14 H -0.275051 3.686339 6.878361 0.125376 1.030630 0.77210885E+01 0.74518268E+02 1.643322 1.589237 -0.727928 2.532060 0.999593 3.300823 8.920791 0.517359 1.226676 -0.722356 0.020438 -0.007951 -0.019675 0.029463 -0.004091 0.001445 0.004198 0.012296 0.021288 -0.011966 0.003831 0.008135 1.663212 2.074268 -0.242554 -0.242673 1.426154 0.083051 1.489213 -0.002523 15 H -1.417982 3.376446 7.910403 0.138125 1.134544 0.86686651E+01 0.85748512E+02 1.728599 1.666449 -0.963832 2.430718 0.997786 3.295194 8.889388 0.515429 1.201332 -0.729283 -0.014834 -0.018183 0.021117 0.031568 0.003388 0.004074 -0.010390 0.001213 0.018789 -0.012770 -0.000211 0.012981 1.744277 1.727178 0.333496 -0.199202 1.844177 -0.315710 1.661476 0.000133 16 H 4.522990 0.276360 6.071177 0.256797 0.684690 0.45753954E+01 0.39870262E+02 1.390660 1.332149 -1.007979 2.467054 0.998965 3.011696 8.493246 0.483256 1.454482 -0.672679 -0.019187 0.022778 -0.012191 0.032181 -0.004049 -0.008841 0.001466 0.003131 0.019991 -0.009201 -0.003706 0.012906 1.436345 1.165791 -0.186009 0.005879 1.893489 -0.153086 1.249754 0.001029 17 H -1.921353 10.575676 4.404918 0.147442 0.975322 0.72494812E+01 0.69357995E+02 1.635669 1.580999 -0.718530 2.555532 0.999615 3.240628 8.922162 0.495141 1.292968 -0.707927 -0.015409 0.012225 -0.024469 0.031395 -0.005733 0.001265 -0.001827 0.001716 0.014898 -0.008304 0.001845 0.006459 1.661772 1.374897 -0.113560 0.234706 1.552487 -0.277718 2.057931 0.000581 18 H -1.830559 9.324541 5.346153 0.150425 0.950111 0.72432292E+01 0.70647503E+02 1.710706 1.659883 -1.352104 2.255409 0.993085 3.721653 11.026227 0.440238 1.426441 -0.677413 -0.010017 -0.027065 0.008940 0.030212 -0.003262 -0.001204 -0.002798 -0.011341 -0.000825 -0.006971 -0.000476 0.007446 1.738767 1.451246 0.306426 -0.100942 2.261317 -0.092146 1.503737 -0.000017 19 H -3.346011 9.958203 6.878361 0.125383 1.031212 0.77266322E+01 0.74584919E+02 1.643871 1.589743 -0.728329 2.531782 0.999589 3.301893 8.924378 0.517310 1.226577 -0.722373 -0.017102 -0.013720 -0.019662 0.029451 0.007413 0.002915 -0.003331 0.001045 0.021286 -0.012004 0.003880 0.008124 1.663778 1.798790 0.402111 0.193358 1.702824 0.168769 1.489721 0.001901 20 H -3.042921 11.102957 7.910403 0.138067 1.136327 0.86864223E+01 0.85972008E+02 1.730659 1.668344 -0.966165 2.429555 0.997761 3.298236 8.901382 0.515025 1.201604 -0.729209 -0.008255 0.021923 0.021136 0.031551 -0.001106 -0.011069 0.001680 -0.006582 0.018894 -0.012842 -0.000170 0.013013 1.746386 1.527821 -0.217828 -0.174121 2.047950 0.330927 1.663385 -0.000021 21 H 4.653840 7.507967 6.071177 0.256792 0.684739 0.45758098E+01 0.39874334E+02 1.390652 1.332150 -1.007555 2.467203 0.998967 3.011778 8.493219 0.483294 1.454352 -0.672702 0.029318 0.005213 -0.012190 0.032177 0.003379 0.005687 0.006933 0.005477 0.020004 -0.009220 -0.003692 0.012911 1.436331 1.872585 -0.222114 -0.135518 1.186648 0.071464 1.249759 0.000938 22 H 3.443481 7.939273 4.404918 0.147440 0.975440 0.72505852E+01 0.69370935E+02 1.635754 1.581080 -0.718354 2.555565 0.999615 3.240907 8.922973 0.495149 1.292902 -0.707939 0.018289 0.007227 -0.024458 0.031383 0.003609 -0.002215 -0.000182 0.009076 0.014896 -0.008305 0.001847 0.006458 1.661862 1.606515 -0.020130 -0.357898 1.321006 -0.064389 2.058063 0.000582 23 H 2.314569 8.486211 5.346153 0.150407 0.950389 0.72460230E+01 0.70681958E+02 1.711048 1.660206 -1.352469 2.255191 0.993082 3.722428 11.029285 0.440191 1.426447 -0.677408 -0.018423 0.022190 0.008954 0.030199 -0.003269 -0.001821 0.002447 0.011343 -0.000778 -0.006985 -0.000459 0.007444 1.739120 1.793780 -0.504127 -0.029327 1.919547 0.133545 1.504034 0.000147 24 H 3.621062 9.481800 6.878361 0.125345 1.032446 0.77388593E+01 0.74737420E+02 1.645578 1.591304 -0.729399 2.531224 0.999581 3.304570 8.935602 0.516874 1.227045 -0.722256 -0.003371 0.021630 -0.019673 0.029432 -0.003325 -0.004344 -0.000866 -0.013318 0.021415 -0.012035 0.003869 0.008166 1.665547 1.379860 -0.159771 0.049541 2.125614 -0.252237 1.491166 0.001925 25 H 4.460903 8.646939 7.910403 0.138072 1.136709 0.86902188E+01 0.86019476E+02 1.731062 1.668716 -0.966233 2.429471 0.997759 3.298924 8.903919 0.514961 1.201615 -0.729203 0.023106 -0.003826 0.021130 0.031544 -0.002288 0.006989 0.008759 0.005267 0.018874 -0.012858 -0.000162 0.013020 1.746796 2.107044 -0.116397 0.373811 1.469545 -0.014727 1.663801 -0.000152 26 H 4.175170 7.784327 1.135823 0.256800 0.684588 0.45746960E+01 0.39863775E+02 1.390692 1.332186 -1.007850 2.467118 0.998966 3.011784 8.494240 0.483160 1.454784 -0.672625 -0.010132 0.028007 0.012193 0.032183 -0.000672 -0.003149 -0.008387 -0.008583 0.019998 -0.009203 -0.003702 0.012905 1.436383 1.550552 -0.408120 -0.129663 1.508825 0.081626 1.249772 0.001025 27 H 5.153872 6.951778 2.802082 0.147434 0.975200 0.72483661E+01 0.69344735E+02 1.635541 1.580889 -0.718416 2.555590 0.999616 3.240474 8.921603 0.495152 1.292986 -0.707924 -0.002882 0.019460 0.024470 0.031397 -0.002121 -0.000948 0.002010 -0.010795 0.014903 -0.008307 0.001847 0.006460 1.661635 1.409649 -0.133672 -0.123175 1.517517 0.342057 2.057740 0.000581 28 H 6.191990 6.247581 1.860847 0.150402 0.950268 0.72448593E+01 0.70667983E+02 1.710936 1.660102 -1.352483 2.255207 0.993082 3.722196 11.028502 0.440192 1.426497 -0.677400 0.028436 -0.004858 -0.008945 0.030203 -0.006549 -0.003029 0.000354 -0.000016 -0.000787 -0.006986 -0.000461 0.007447 1.739008 2.324519 -0.197585 -0.130304 1.388573 -0.041393 1.503934 0.000146 29 H 6.400949 7.876832 0.328639 0.125338 1.032787 0.77432013E+01 0.74801744E+02 1.647137 1.592712 -0.729371 2.531293 0.999582 3.305912 8.945218 0.516095 1.228528 -0.721923 0.020432 0.007902 0.019668 0.029440 0.004108 -0.001424 0.004203 0.012483 0.021483 -0.012075 0.003886 0.008189 1.667184 2.079928 0.243400 0.243636 1.429145 0.083336 1.492478 0.001921 30 H 5.258018 8.186725 13.710597 0.138047 1.137642 0.87003273E+01 0.86157078E+02 1.733178 1.670625 -0.966241 2.429510 0.997759 3.300606 8.914628 0.514159 1.202967 -0.728892 -0.014864 0.018100 -0.021142 0.031552 -0.003446 -0.004086 -0.010447 0.001402 0.018984 -0.012898 -0.000144 0.013042 1.748992 1.731959 -0.334996 0.200069 1.849286 -0.316955 1.665731 -0.000014 31 H -2.153010 11.286811 1.135823 0.256796 0.684613 0.45749102E+01 0.39866072E+02 1.390718 1.332210 -1.007848 2.467114 0.998966 3.011847 8.494438 0.483160 1.454770 -0.672627 -0.019190 -0.022778 0.012192 0.032183 0.004053 0.008838 0.001466 0.003124 0.019995 -0.009203 -0.003700 0.012903 1.436411 1.165835 0.185996 -0.005858 1.893605 -0.153106 1.249794 0.001024 32 H 4.754647 0.987495 2.802082 0.147432 0.975278 0.72491288E+01 0.69354046E+02 1.635642 1.580981 -0.718460 2.555561 0.999615 3.240647 8.922289 0.495132 1.293002 -0.707920 -0.015414 -0.012220 0.024467 0.031393 0.005735 -0.001264 -0.001826 0.001719 0.014896 -0.008306 0.001849 0.006457 1.661739 1.374864 0.113552 -0.234668 1.552467 -0.277717 2.057887 0.000581 33 H 4.845441 2.238630 1.860847 0.150401 0.950257 0.72447775E+01 0.70667133E+02 1.710941 1.660107 -1.352542 2.255187 0.993082 3.722188 11.028549 0.440185 1.426522 -0.677396 -0.010013 0.027055 -0.008945 0.030204 0.003280 0.001208 -0.002801 -0.011329 -0.000785 -0.006983 -0.000461 0.007444 1.739013 1.451448 -0.306482 0.100999 2.261650 -0.092151 1.503941 0.000148 34 H 3.329989 1.604968 0.328639 0.125334 1.032798 0.77433289E+01 0.74803455E+02 1.647167 1.592739 -0.729392 2.531285 0.999582 3.305940 8.945389 0.516083 1.228550 -0.721918 -0.017059 0.013747 0.019667 0.029442 -0.007461 -0.002928 -0.003333 0.000875 0.021484 -0.012076 0.003887 0.008189 1.667213 1.802660 -0.403508 -0.193994 1.706474 0.169333 1.492505 0.001920 35 H 3.633079 0.460214 13.710597 0.138031 1.137713 0.87010014E+01 0.86165366E+02 1.733241 1.670683 -0.966290 2.429478 0.997758 3.300730 8.915027 0.514153 1.202957 -0.728894 -0.008243 -0.021920 -0.021143 0.031551 0.001115 0.011092 0.001685 -0.006671 0.018984 -0.012899 -0.000143 0.013043 1.749058 1.529891 0.218315 0.174468 2.051489 0.331761 1.665793 -0.000013 36 H -2.022160 4.055204 1.135823 0.256802 0.684600 0.45747970E+01 0.39864880E+02 1.390706 1.332199 -1.007875 2.467104 0.998966 3.011823 8.494377 0.483159 1.454780 -0.672625 0.029322 -0.005232 0.012190 0.032183 -0.003381 -0.005689 0.006918 0.005457 0.019994 -0.009201 -0.003701 0.012902 1.436401 1.872729 0.222135 0.135519 1.186692 0.071479 1.249783 0.001032 37 H 10.119481 3.623898 2.802082 0.147439 0.975327 0.72495847E+01 0.69359358E+02 1.635674 1.581013 -0.718461 2.555552 0.999615 3.240733 8.922528 0.495137 1.292972 -0.707925 0.018291 -0.007244 0.024461 0.031391 -0.003615 0.002217 -0.000191 0.009083 0.014891 -0.008310 0.001846 0.006464 1.661772 1.606446 0.020128 0.357849 1.320952 -0.064375 2.057920 0.000568 38 H 8.990569 3.076960 1.860847 0.150411 0.950224 0.72444538E+01 0.70663227E+02 1.710906 1.660075 -1.352540 2.255195 0.993083 3.722118 11.028304 0.440187 1.426530 -0.677394 -0.018426 -0.022199 -0.008948 0.030206 0.003262 0.001824 0.002447 0.011349 -0.000786 -0.006983 -0.000462 0.007446 1.738978 1.793644 0.504052 0.029306 1.919378 0.133540 1.503912 0.000146 39 H 10.297062 2.081371 0.328639 0.125340 1.032777 0.77431239E+01 0.74801071E+02 1.647154 1.592727 -0.729384 2.531297 0.999582 3.305900 8.945292 0.516080 1.228563 -0.721915 -0.003375 -0.021649 0.019667 0.029443 0.003352 0.004351 -0.000868 -0.013359 0.021483 -0.012076 0.003887 0.008189 1.667201 1.381064 0.160103 -0.049648 2.128048 -0.252668 1.492492 0.001921 40 H 11.136903 2.916232 13.710597 0.138037 1.137685 0.87007141E+01 0.86161690E+02 1.733203 1.670647 -0.966296 2.429480 0.997758 3.300679 8.914806 0.514163 1.202944 -0.728897 0.023107 0.003819 -0.021142 0.031552 0.002331 -0.007006 0.008764 0.005268 0.018984 -0.012900 -0.000144 0.013044 1.749020 2.110109 0.116699 -0.374536 1.471195 -0.014788 1.665755 -0.000017 41 H -4.175170 7.784327 8.342823 0.256914 0.684301 0.45721656E+01 0.39834578E+02 1.390081 1.331641 -1.007825 2.467225 0.998966 3.010620 8.489056 0.483375 1.454399 -0.672697 0.010080 0.028015 0.012201 0.032177 0.000635 0.003142 -0.008385 -0.008585 0.019961 -0.009172 -0.003728 0.012900 1.435720 1.549780 0.407745 0.129510 1.508074 0.081527 1.249307 -0.001330 42 H 8.198128 6.951778 10.009082 0.147470 0.974927 0.72456645E+01 0.69312065E+02 1.635224 1.580585 -0.718342 2.555686 0.999617 3.239847 8.919285 0.495207 1.292971 -0.707930 0.002865 0.019484 0.024470 0.031411 0.002118 0.000947 0.001997 -0.010839 0.014896 -0.008326 0.001872 0.006453 1.661315 1.409404 0.133638 0.123130 1.517249 0.341990 2.057291 -0.000769 43 H 7.160010 6.247581 9.067847 0.150434 0.950092 0.72431231E+01 0.70647074E+02 1.710778 1.659948 -1.352652 2.255194 0.993083 3.721671 11.026769 0.440193 1.426574 -0.677388 -0.028450 -0.004851 -0.008941 0.030214 0.006556 0.003025 0.000352 -0.000050 -0.000788 -0.006994 -0.000457 0.007450 1.738842 2.324305 0.197549 0.130282 1.388427 -0.041346 1.503792 -0.000036 44 H 6.951051 7.876832 7.535639 0.125378 1.030627 0.77210607E+01 0.74517931E+02 1.643318 1.589233 -0.727926 2.532061 0.999593 3.300818 8.920773 0.517360 1.226676 -0.722356 -0.020438 0.007950 0.019675 0.029463 -0.004091 0.001445 0.004198 0.012296 0.021288 -0.011966 0.003831 0.008135 1.663208 2.074262 -0.242553 -0.242672 1.426151 0.083051 1.489210 -0.002523 45 H 8.093982 8.186725 6.503597 0.138128 1.134539 0.86686190E+01 0.85747942E+02 1.728594 1.666444 -0.963829 2.430721 0.997786 3.295187 8.889363 0.515430 1.201332 -0.729283 0.014834 0.018183 -0.021117 0.031568 0.003388 0.004074 -0.010390 0.001213 0.018789 -0.012770 -0.000211 0.012981 1.744271 1.727172 0.333494 -0.199200 1.844171 -0.315708 1.661471 0.000133 46 H 2.153010 11.286811 8.342823 0.256797 0.684689 0.45753917E+01 0.39870225E+02 1.390660 1.332149 -1.007978 2.467054 0.998965 3.011695 8.493245 0.483256 1.454483 -0.672679 0.019187 -0.022778 0.012191 0.032181 -0.004049 -0.008841 0.001466 0.003131 0.019991 -0.009201 -0.003706 0.012906 1.436345 1.165791 -0.186009 0.005879 1.893489 -0.153086 1.249754 0.001029 47 H 8.597353 0.987495 10.009082 0.147443 0.975321 0.72494721E+01 0.69357888E+02 1.635668 1.580998 -0.718529 2.555532 0.999615 3.240626 8.922156 0.495141 1.292968 -0.707927 0.015409 -0.012225 0.024469 0.031395 -0.005733 0.001265 -0.001827 0.001716 0.014898 -0.008304 0.001845 0.006459 1.661771 1.374896 -0.113560 0.234706 1.552486 -0.277717 2.057930 0.000581 48 H 8.506559 2.238630 9.067847 0.150425 0.950110 0.72432230E+01 0.70647432E+02 1.710706 1.659883 -1.352104 2.255409 0.993085 3.721652 11.026226 0.440238 1.426442 -0.677412 0.010017 0.027065 -0.008940 0.030212 -0.003262 -0.001204 -0.002798 -0.011341 -0.000825 -0.006971 -0.000476 0.007446 1.738767 1.451246 0.306426 -0.100942 2.261317 -0.092145 1.503737 -0.000017 49 H 10.022011 1.604968 7.535639 0.125385 1.031209 0.77266043E+01 0.74584584E+02 1.643868 1.589740 -0.728328 2.531783 0.999589 3.301888 8.924361 0.517310 1.226576 -0.722373 0.017102 0.013720 0.019662 0.029451 0.007413 0.002915 -0.003331 0.001045 0.021286 -0.012004 0.003880 0.008124 1.663775 1.798786 0.402110 0.193357 1.702820 0.168768 1.489718 0.001901 50 H 9.718921 0.460214 6.503597 0.138070 1.136322 0.86863780E+01 0.85971460E+02 1.730654 1.668339 -0.966162 2.429557 0.997761 3.298229 8.901358 0.515026 1.201604 -0.729209 0.008255 -0.021923 -0.021136 0.031551 -0.001106 -0.011069 0.001680 -0.006582 0.018894 -0.012842 -0.000170 0.013012 1.746380 1.527817 -0.217827 -0.174120 2.047943 0.330925 1.663380 -0.000021 51 H 2.022160 4.055204 8.342823 0.256792 0.684739 0.45758095E+01 0.39874329E+02 1.390652 1.332150 -1.007555 2.467203 0.998967 3.011778 8.493218 0.483294 1.454352 -0.672702 -0.029318 -0.005213 0.012190 0.032177 0.003379 0.005687 0.006933 0.005477 0.020004 -0.009220 -0.003692 0.012911 1.436331 1.872585 -0.222114 -0.135517 1.186648 0.071464 1.249759 0.000938 52 H 3.232519 3.623898 10.009082 0.147441 0.975440 0.72505805E+01 0.69370878E+02 1.635754 1.581079 -0.718354 2.555565 0.999615 3.240906 8.922969 0.495149 1.292902 -0.707939 -0.018289 -0.007227 0.024458 0.031383 0.003609 -0.002215 -0.000182 0.009076 0.014896 -0.008305 0.001847 0.006458 1.661861 1.606515 -0.020130 -0.357898 1.321006 -0.064389 2.058062 0.000582 53 H 4.361431 3.076960 9.067847 0.150407 0.950389 0.72460230E+01 0.70681958E+02 1.711048 1.660206 -1.352469 2.255191 0.993082 3.722428 11.029285 0.440191 1.426447 -0.677408 0.018423 -0.022191 -0.008954 0.030199 -0.003269 -0.001821 0.002447 0.011343 -0.000778 -0.006985 -0.000459 0.007444 1.739120 1.793780 -0.504127 -0.029327 1.919547 0.133544 1.504034 0.000147 54 H 3.054938 2.081371 7.535639 0.125348 1.032443 0.77388308E+01 0.74737072E+02 1.645573 1.591300 -0.729397 2.531225 0.999581 3.304565 8.935582 0.516875 1.227043 -0.722256 0.003371 -0.021630 0.019673 0.029432 -0.003325 -0.004344 -0.000866 -0.013318 0.021415 -0.012035 0.003869 0.008166 1.665542 1.379857 -0.159770 0.049541 2.125607 -0.252236 1.491163 0.001925 55 H 2.215097 2.916232 6.503597 0.138075 1.136706 0.86901854E+01 0.86019063E+02 1.731058 1.668712 -0.966231 2.429472 0.997759 3.298919 8.903901 0.514962 1.201615 -0.729203 -0.023106 0.003826 -0.021130 0.031544 -0.002288 0.006989 0.008759 0.005267 0.018874 -0.012858 -0.000162 0.013020 1.746792 2.107038 -0.116396 0.373809 1.469541 -0.014727 1.663797 -0.000152 56 H 2.500830 3.778844 13.278177 0.256800 0.684587 0.45746926E+01 0.39863739E+02 1.390691 1.332185 -1.007849 2.467118 0.998966 3.011783 8.494237 0.483160 1.454784 -0.672625 0.010132 -0.028007 -0.012193 0.032183 -0.000672 -0.003149 -0.008387 -0.008583 0.019998 -0.009203 -0.003702 0.012905 1.436383 1.550552 -0.408120 -0.129663 1.508825 0.081626 1.249772 0.001025 57 H 1.522128 4.611393 11.611918 0.147434 0.975199 0.72483610E+01 0.69344672E+02 1.635540 1.580888 -0.718415 2.555591 0.999616 3.240473 8.921599 0.495152 1.292986 -0.707924 0.002882 -0.019460 -0.024470 0.031397 -0.002121 -0.000948 0.002010 -0.010795 0.014903 -0.008307 0.001847 0.006460 1.661635 1.409649 -0.133672 -0.123175 1.517517 0.342056 2.057739 0.000581 58 H 0.484010 5.315590 12.553153 0.150402 0.950268 0.72448601E+01 0.70667991E+02 1.710936 1.660102 -1.352483 2.255207 0.993082 3.722196 11.028501 0.440192 1.426497 -0.677400 -0.028436 0.004858 0.008945 0.030203 -0.006549 -0.003029 0.000354 -0.000016 -0.000787 -0.006986 -0.000461 0.007447 1.739008 2.324518 -0.197585 -0.130304 1.388573 -0.041393 1.503934 0.000146 59 H 0.275051 3.686339 14.085361 0.125342 1.032783 0.77431621E+01 0.74801268E+02 1.647132 1.592707 -0.729368 2.531295 0.999582 3.305905 8.945192 0.516097 1.228526 -0.721923 -0.020432 -0.007902 -0.019667 0.029440 0.004108 -0.001424 0.004203 0.012483 0.021483 -0.012075 0.003886 0.008189 1.667178 2.079919 0.243398 0.243634 1.429141 0.083336 1.492473 0.001921 60 H 1.417982 3.376446 0.703403 0.138050 1.137636 0.87002704E+01 0.86156377E+02 1.733171 1.670619 -0.966237 2.429512 0.997759 3.300597 8.914598 0.514159 1.202967 -0.728892 0.014864 -0.018100 0.021142 0.031552 -0.003446 -0.004086 -0.010447 0.001402 0.018984 -0.012898 -0.000144 0.013042 1.748986 1.731953 -0.334994 0.200068 1.849279 -0.316953 1.665726 -0.000014 61 H 8.829010 0.276360 13.278177 0.256797 0.684613 0.45749077E+01 0.39866045E+02 1.390717 1.332210 -1.007847 2.467114 0.998966 3.011846 8.494435 0.483160 1.454769 -0.672627 0.019190 0.022778 -0.012192 0.032183 0.004053 0.008838 0.001466 0.003124 0.019995 -0.009203 -0.003700 0.012903 1.436411 1.165835 0.185996 -0.005858 1.893604 -0.153106 1.249793 0.001024 62 H 1.921353 10.575676 11.611918 0.147432 0.975278 0.72491236E+01 0.69353983E+02 1.635641 1.580981 -0.718460 2.555561 0.999615 3.240646 8.922285 0.495132 1.293001 -0.707920 0.015414 0.012220 -0.024467 0.031393 0.005735 -0.001264 -0.001826 0.001719 0.014896 -0.008306 0.001849 0.006457 1.661739 1.374864 0.113552 -0.234668 1.552466 -0.277717 2.057886 0.000581 63 H 1.830559 9.324541 12.553153 0.150401 0.950257 0.72447775E+01 0.70667133E+02 1.710941 1.660107 -1.352542 2.255187 0.993082 3.722188 11.028549 0.440185 1.426522 -0.677396 0.010013 -0.027055 0.008945 0.030204 0.003280 0.001208 -0.002801 -0.011329 -0.000785 -0.006983 -0.000461 0.007444 1.739013 1.451448 -0.306482 0.100999 2.261650 -0.092151 1.503940 0.000148 64 H 3.346011 9.958203 14.085361 0.125337 1.032794 0.77432906E+01 0.74802991E+02 1.647162 1.592735 -0.729390 2.531287 0.999582 3.305933 8.945364 0.516084 1.228550 -0.721918 0.017059 -0.013747 -0.019667 0.029441 -0.007461 -0.002928 -0.003333 0.000875 0.021484 -0.012076 0.003887 0.008189 1.667208 1.802655 -0.403505 -0.193993 1.706468 0.169332 1.492501 0.001920 65 H 3.042921 11.102957 0.703403 0.138035 1.137707 0.87009462E+01 0.86164679E+02 1.733234 1.670676 -0.966285 2.429480 0.997758 3.300722 8.914997 0.514155 1.202955 -0.728895 0.008243 0.021920 0.021143 0.031551 0.001115 0.011092 0.001685 -0.006671 0.018984 -0.012899 -0.000143 0.013043 1.749050 1.529885 0.218313 0.174466 2.051479 0.331759 1.665787 -0.000013 66 H 8.698160 7.507967 13.278177 0.256803 0.684600 0.45747976E+01 0.39864885E+02 1.390706 1.332198 -1.007875 2.467104 0.998966 3.011823 8.494376 0.483159 1.454779 -0.672626 -0.029322 0.005232 -0.012190 0.032183 -0.003381 -0.005689 0.006918 0.005457 0.019994 -0.009201 -0.003701 0.012902 1.436401 1.872728 0.222135 0.135519 1.186692 0.071478 1.249783 0.001032 67 H -3.443481 7.939273 11.611918 0.147439 0.975326 0.72495793E+01 0.69359294E+02 1.635674 1.581013 -0.718460 2.555552 0.999615 3.240732 8.922525 0.495137 1.292972 -0.707925 -0.018291 0.007244 -0.024461 0.031391 -0.003615 0.002217 -0.000191 0.009083 0.014891 -0.008310 0.001846 0.006464 1.661772 1.606445 0.020128 0.357849 1.320952 -0.064375 2.057919 0.000568 68 H -2.314569 8.486211 12.553153 0.150411 0.950224 0.72444533E+01 0.70663219E+02 1.710906 1.660075 -1.352540 2.255195 0.993083 3.722118 11.028303 0.440187 1.426530 -0.677394 0.018426 0.022199 0.008948 0.030206 0.003262 0.001824 0.002447 0.011349 -0.000786 -0.006983 -0.000462 0.007446 1.738978 1.793644 0.504052 0.029306 1.919377 0.133540 1.503912 0.000146 69 H -3.621062 9.481800 14.085361 0.125343 1.032773 0.77430846E+01 0.74800590E+02 1.647149 1.592722 -0.729381 2.531299 0.999582 3.305893 8.945265 0.516081 1.228562 -0.721916 0.003375 0.021649 -0.019666 0.029442 0.003352 0.004351 -0.000868 -0.013358 0.021483 -0.012076 0.003887 0.008189 1.667196 1.381060 0.160102 -0.049648 2.128040 -0.252666 1.492487 0.001921 70 H -4.460903 8.646939 0.703403 0.138041 1.137679 0.87006585E+01 0.86160996E+02 1.733195 1.670640 -0.966292 2.429483 0.997758 3.300671 8.914775 0.514165 1.202943 -0.728898 -0.023107 -0.003819 0.021142 0.031551 0.002331 -0.007006 0.008764 0.005268 0.018984 -0.012900 -0.000144 0.013044 1.749012 2.110099 0.116698 -0.374533 1.471190 -0.014788 1.665748 -0.000017 71 C -2.065554 6.500815 4.897877 0.690397 19.527478 0.22355927E+03 0.45135877E+04 6.772281 5.397514 0.067468 2.108280 0.999771 20.915131 58.331536 0.620799 0.488682 -1.008233 -0.028544 0.054864 -0.021494 0.065474 0.038757 0.078306 0.043164 0.031172 -0.023648 -0.075206 -0.036860 0.112066 7.517302 6.629008 -0.010290 -2.889528 6.899667 -2.275630 9.023232 -0.002396 72 C -1.430667 5.183770 5.183274 -0.244991 25.685616 0.42162847E+03 0.98880515E+04 7.636333 6.844782 -0.216475 1.935053 0.996411 29.434615 85.962194 0.626765 0.416697 -1.058510 -0.040288 -0.060293 0.085881 0.112400 0.036710 -0.014475 -0.028885 0.001434 0.121238 -0.058201 -0.003708 0.061909 8.040915 7.435451 0.493900 -0.514636 7.389764 -1.632547 9.297530 -0.002076 73 C -0.572801 5.242742 8.211656 0.644108 19.905987 0.24561501E+03 0.50962895E+04 6.941023 5.691249 -0.209700 1.998232 0.999331 22.323971 63.907729 0.596919 0.494529 -1.001417 -0.000976 0.032599 0.012837 0.035049 0.025527 -0.075261 -0.043009 0.069496 0.094288 -0.069947 -0.045304 0.115251 7.639592 8.510892 -0.121732 3.377161 7.011918 1.390401 7.395965 -0.001909 74 C -1.036115 4.065611 7.343933 -0.223710 25.809680 0.40450883E+03 0.93601105E+04 7.568568 6.640347 0.052745 2.014155 0.998435 29.091447 83.553536 0.647542 0.408776 -1.066857 -0.072316 0.032829 -0.071627 0.106947 -0.018149 0.038212 -0.036422 0.039451 0.086600 -0.050819 -0.021422 0.072241 8.071794 9.007911 0.648781 1.702629 7.120668 0.562020 8.086804 -0.001907 75 C -0.013352 10.101586 4.897877 0.690204 19.531126 0.22360496E+03 0.45146664E+04 6.772806 5.397823 0.068260 2.108526 0.999772 20.916134 58.332204 0.620833 0.488638 -1.008272 0.061624 -0.002757 -0.021490 0.065322 -0.005950 -0.001803 -0.089309 -0.082744 -0.023315 -0.075086 -0.036910 0.111996 7.518065 6.841279 -0.112142 -0.525795 6.688562 3.641044 9.024353 0.001639 76 C -1.471390 10.210280 5.183274 -0.245097 25.688706 0.42168470E+03 0.98896299E+04 7.636752 6.845040 -0.215872 1.935201 0.996416 29.436396 85.966542 0.626785 0.416673 -1.058532 -0.031894 0.065007 0.085837 0.112299 -0.017592 -0.017696 0.026933 -0.064491 0.121341 -0.058232 -0.003618 0.061850 8.041524 6.973693 -0.227282 -1.156295 7.852296 1.262676 9.298583 0.001458 77 C -1.849252 9.437860 8.211656 0.644141 19.906290 0.24561090E+03 0.50961686E+04 6.941106 5.691174 -0.209168 1.998407 0.999332 22.323471 63.905497 0.596929 0.494524 -1.001422 0.028685 -0.015298 0.012936 0.034989 0.017373 0.000346 0.086637 -0.079006 0.094368 -0.069986 -0.045238 0.115224 7.639826 7.492445 0.709823 -0.484519 8.031317 -3.620151 7.395717 0.001411 78 C -2.637020 10.427668 7.343933 -0.223905 25.817526 0.40465834E+03 0.93646719E+04 7.570402 6.641707 0.051428 2.013633 0.998431 29.100244 83.590620 0.647441 0.408792 -1.066819 0.064716 0.046171 -0.071456 0.106892 0.026410 -0.050600 -0.014765 0.011722 0.086651 -0.051022 -0.021217 0.072239 8.073882 7.032438 0.492850 -0.365028 9.100691 -1.755598 8.088518 0.001457 79 C 2.078906 6.523941 4.897877 0.690294 19.532051 0.22361181E+03 0.45148791E+04 6.773177 5.398004 0.067877 2.108382 0.999772 20.917217 58.337385 0.620800 0.488656 -1.008254 -0.033193 -0.051965 -0.021526 0.065310 -0.032873 -0.076408 0.046230 0.051696 -0.023212 -0.075048 -0.036940 0.111988 7.518581 6.824147 0.122096 3.416523 6.706468 -1.365268 9.025129 0.001483 80 C 2.902057 7.732292 5.183274 -0.245088 25.689797 0.42170592E+03 0.98903506E+04 7.637151 6.845342 -0.216089 1.935104 0.996416 29.438240 85.975689 0.626747 0.416689 -1.058512 0.072237 -0.004912 0.085867 0.112319 -0.019130 0.032131 0.001863 0.062715 0.121425 -0.058243 -0.003583 0.061827 8.041974 7.829584 -0.266821 1.671764 6.997040 0.370304 9.299297 0.001452 81 C 2.422053 8.445740 8.211656 0.644196 19.905535 0.24560080E+03 0.50959651E+04 6.941256 5.691292 -0.209441 1.998337 0.999331 22.323435 63.907819 0.596879 0.494565 -1.001390 -0.027605 -0.017190 0.012882 0.034978 -0.042946 0.074862 -0.043621 0.009320 0.094342 -0.070038 -0.045205 0.115243 7.639994 7.281987 -0.588132 -2.893140 8.242028 2.229490 7.395968 0.001326 82 C 3.673135 8.633063 7.343933 -0.223936 25.820963 0.40471949E+03 0.93667410E+04 7.571597 6.642512 0.050740 2.013362 0.998429 29.105753 83.618117 0.647336 0.408829 -1.066761 0.007569 -0.079195 -0.071452 0.106932 -0.008239 0.012569 0.051185 -0.051393 0.086755 -0.051090 -0.021099 0.072189 8.075254 8.157426 -1.142292 -1.337927 7.978595 1.193687 8.089739 0.001352 83 C 4.610446 5.062356 2.309123 0.690246 19.530586 0.22359511E+03 0.45144293E+04 6.772812 5.397784 0.068293 2.108552 0.999772 20.915623 58.331012 0.620820 0.488652 -1.008262 -0.028432 -0.054745 0.021513 0.065332 -0.038806 -0.078254 0.043093 0.031092 -0.023283 -0.075085 -0.036923 0.112008 7.518103 6.629760 0.010254 2.890275 6.900301 -2.275878 9.024249 0.001638 84 C 5.245333 6.379401 2.023726 -0.245087 25.688236 0.42167597E+03 0.98894054E+04 7.636750 6.845040 -0.215988 1.935174 0.996415 29.436064 85.966376 0.626773 0.416682 -1.058524 -0.040352 0.060132 -0.085841 0.112306 -0.036720 0.014470 -0.028790 0.001731 0.121379 -0.058234 -0.003619 0.061853 8.041532 7.435832 -0.493887 0.514931 7.390372 -1.633127 9.298390 0.001501 85 C 6.103199 6.320429 13.409344 0.644145 19.905603 0.24560152E+03 0.50959769E+04 6.941200 5.691233 -0.209396 1.998347 0.999331 22.323604 63.908007 0.596893 0.494553 -1.001397 -0.001062 -0.032500 -0.012889 0.034979 -0.025518 0.075224 -0.043014 0.069656 0.094311 -0.070006 -0.045238 0.115244 7.639970 8.510986 0.121375 -3.377026 7.013509 1.391199 7.395417 0.001300 86 C 5.639885 7.497560 14.277067 -0.223911 25.819229 0.40468159E+03 0.93660281E+04 7.571802 6.642319 0.050753 2.013414 0.998426 29.106869 83.633241 0.647302 0.408844 -1.066707 -0.072350 -0.033029 0.071454 0.106916 0.018117 -0.038096 -0.036478 0.040162 0.087021 -0.051193 -0.021083 0.072276 8.075668 9.013425 -0.648840 -1.701565 7.124395 0.561423 8.089183 0.001455 87 C 6.662648 1.461585 2.309123 0.690222 19.531195 0.22360340E+03 0.45146325E+04 6.772871 5.397822 0.068167 2.108494 0.999772 20.916130 58.332403 0.620829 0.488641 -1.008269 0.061621 0.002762 0.021499 0.065322 0.005936 0.001803 -0.089307 -0.082767 -0.023288 -0.075074 -0.036927 0.112001 7.518174 6.841649 0.112006 0.525805 6.688595 3.641033 9.024278 0.001644 88 C 5.204610 1.352891 2.023726 -0.245086 25.688474 0.42167971E+03 0.98895354E+04 7.636840 6.845097 -0.216102 1.935136 0.996414 29.436412 85.968153 0.626766 0.416685 -1.058519 -0.031905 -0.065001 -0.085843 0.112304 0.017612 0.017694 0.026936 -0.064442 0.121382 -0.058223 -0.003635 0.061858 8.041639 6.974120 0.227270 1.156826 7.852236 1.262574 9.298562 0.001505 89 C 4.826748 2.125311 13.409344 0.644147 19.905353 0.24559669E+03 0.50958439E+04 6.941113 5.691155 -0.209162 1.998428 0.999332 22.323277 63.906552 0.596902 0.494549 -1.001401 0.028688 0.015336 -0.012879 0.034986 -0.017396 -0.000363 0.086640 -0.079027 0.094311 -0.069992 -0.045239 0.115231 7.639885 7.492892 -0.709154 0.483800 8.031422 -3.620163 7.395341 0.001316 90 C 4.038980 1.135503 14.277067 -0.223905 25.819270 0.40468228E+03 0.93660503E+04 7.571796 6.642309 0.050740 2.013410 0.998427 29.107017 83.633758 0.647304 0.408842 -1.066708 0.064779 -0.046137 0.071454 0.106915 -0.026454 0.050646 -0.014749 0.011299 0.087019 -0.051202 -0.021080 0.072282 8.075663 7.034726 -0.493565 0.364616 9.103074 -1.754272 8.089188 0.001442 91 C 8.754906 5.039230 2.309123 0.690205 19.532062 0.22361171E+03 0.45148779E+04 6.773253 5.398043 0.067173 2.108152 0.999771 20.917011 58.336866 0.620791 0.488663 -1.008250 -0.033220 0.051980 0.021491 0.065325 0.032886 0.076431 0.046216 0.051692 -0.023407 -0.075079 -0.036925 0.112005 7.518685 6.824410 -0.122229 -3.416501 6.706707 -1.365273 9.024937 0.001631 92 C 9.578057 3.830879 2.023726 -0.245081 25.688787 0.42168451E+03 0.98896830E+04 7.636905 6.845131 -0.216265 1.935085 0.996412 29.436703 85.969355 0.626764 0.416684 -1.058519 0.072243 0.004861 -0.085849 0.112307 0.019081 -0.032172 0.001838 0.062751 0.121333 -0.058211 -0.003642 0.061853 8.041739 7.829727 0.266553 -1.671927 6.996860 0.370574 9.298629 0.001475 93 C 9.098053 3.117431 13.409344 0.644143 19.905602 0.24560022E+03 0.50959242E+04 6.941116 5.691158 -0.209178 1.998420 0.999331 22.323287 63.906157 0.596909 0.494543 -1.001406 -0.027633 0.017163 -0.012868 0.034982 0.042917 -0.074851 -0.043637 0.009384 0.094289 -0.069989 -0.045241 0.115230 7.639895 7.282702 0.587732 2.893264 8.241688 2.229005 7.395296 0.001347 94 C 10.349135 2.930108 14.277067 -0.223903 25.819191 0.40468023E+03 0.93659829E+04 7.571762 6.642278 0.050722 2.013409 0.998426 29.106858 83.632980 0.647308 0.408840 -1.066710 0.007569 0.079165 0.071457 0.106913 0.008335 -0.012545 0.051243 -0.051462 0.086999 -0.051198 -0.021086 0.072285 8.075638 8.158557 1.142399 1.336935 7.979238 1.192867 8.089118 0.001480 95 C 8.741554 5.062356 9.516123 0.690397 19.527478 0.22355927E+03 0.45135878E+04 6.772282 5.397515 0.067467 2.108280 0.999771 20.915131 58.331538 0.620798 0.488682 -1.008232 0.028544 -0.054864 0.021494 0.065474 0.038757 0.078306 0.043164 0.031172 -0.023648 -0.075206 -0.036860 0.112066 7.517302 6.629008 -0.010290 -2.889528 6.899667 -2.275630 9.023232 -0.002396 96 C 8.106667 6.379401 9.230726 -0.244991 25.685617 0.42162849E+03 0.98880519E+04 7.636333 6.844782 -0.216475 1.935053 0.996411 29.434614 85.962189 0.626765 0.416697 -1.058510 0.040288 0.060293 -0.085881 0.112400 0.036710 -0.014475 -0.028885 0.001434 0.121238 -0.058201 -0.003708 0.061909 8.040915 7.435451 0.493900 -0.514636 7.389763 -1.632547 9.297530 -0.002076 97 C 7.248801 6.320429 6.202344 0.644109 19.905981 0.24561492E+03 0.50962871E+04 6.941022 5.691248 -0.209701 1.998232 0.999331 22.323967 63.907719 0.596919 0.494529 -1.001417 0.000976 -0.032599 -0.012837 0.035049 0.025527 -0.075261 -0.043009 0.069496 0.094288 -0.069947 -0.045304 0.115251 7.639591 8.510892 -0.121732 3.377161 7.011916 1.390401 7.395965 -0.001909 98 C 7.712115 7.497560 7.070067 -0.223712 25.809730 0.40450989E+03 0.93601415E+04 7.568581 6.640359 0.052744 2.014154 0.998435 29.091479 83.553663 0.647542 0.408776 -1.066856 0.072316 -0.032829 0.071627 0.106947 -0.018149 0.038212 -0.036422 0.039451 0.086600 -0.050819 -0.021423 0.072241 8.071808 9.007927 0.648783 1.702638 7.120679 0.562024 8.086818 -0.001907 99 C 6.689352 1.461585 9.516123 0.690204 19.531125 0.22360494E+03 0.45146659E+04 6.772805 5.397823 0.068260 2.108526 0.999772 20.916133 58.332201 0.620833 0.488638 -1.008272 -0.061624 0.002757 0.021490 0.065322 -0.005950 -0.001803 -0.089309 -0.082744 -0.023315 -0.075086 -0.036910 0.111996 7.518065 6.841279 -0.112142 -0.525795 6.688562 3.641044 9.024353 0.001639 100 C 8.147390 1.352891 9.230726 -0.245098 25.688715 0.42168491E+03 0.98896363E+04 7.636754 6.845042 -0.215872 1.935201 0.996416 29.436402 85.966565 0.626785 0.416673 -1.058532 0.031894 -0.065007 -0.085837 0.112299 -0.017592 -0.017696 0.026933 -0.064491 0.121341 -0.058232 -0.003619 0.061850 8.041526 6.973695 -0.227282 -1.156296 7.852298 1.262677 9.298585 0.001458 101 C 8.525252 2.125311 6.202344 0.644141 19.906287 0.24561084E+03 0.50961672E+04 6.941106 5.691174 -0.209170 1.998406 0.999332 22.323470 63.905499 0.596929 0.494524 -1.001422 -0.028685 0.015298 -0.012936 0.034989 0.017373 0.000346 0.086637 -0.079006 0.094368 -0.069986 -0.045238 0.115224 7.639826 7.492444 0.709824 -0.484520 8.031317 -3.620152 7.395718 0.001411 102 C 9.313020 1.135503 7.070067 -0.223906 25.817571 0.40465930E+03 0.93646998E+04 7.570412 6.641716 0.051428 2.013632 0.998431 29.100272 83.590729 0.647440 0.408792 -1.066819 -0.064716 -0.046171 0.071456 0.106892 0.026410 -0.050600 -0.014765 0.011722 0.086651 -0.051021 -0.021217 0.072239 8.073894 7.032447 0.492851 -0.365030 9.100705 -1.755606 8.088530 0.001457 103 C 4.597094 5.039230 9.516123 0.690294 19.532049 0.22361178E+03 0.45148785E+04 6.773178 5.398004 0.067877 2.108382 0.999772 20.917216 58.337385 0.620800 0.488656 -1.008254 0.033193 0.051965 0.021526 0.065310 -0.032873 -0.076408 0.046230 0.051696 -0.023212 -0.075048 -0.036940 0.111988 7.518582 6.824147 0.122096 3.416523 6.706469 -1.365268 9.025129 0.001483 104 C 3.773943 3.830879 9.230726 -0.245088 25.689800 0.42170600E+03 0.98903527E+04 7.637151 6.845343 -0.216089 1.935104 0.996416 29.438242 85.975696 0.626747 0.416689 -1.058512 -0.072237 0.004912 -0.085867 0.112319 -0.019130 0.032131 0.001863 0.062715 0.121425 -0.058243 -0.003583 0.061827 8.041974 7.829584 -0.266821 1.671764 6.997041 0.370305 9.299297 0.001451 105 C 4.253947 3.117431 6.202344 0.644196 19.905533 0.24560076E+03 0.50959640E+04 6.941256 5.691292 -0.209442 1.998336 0.999331 22.323434 63.907819 0.596879 0.494565 -1.001390 0.027605 0.017190 -0.012881 0.034978 -0.042946 0.074862 -0.043621 0.009320 0.094342 -0.070038 -0.045205 0.115243 7.639994 7.281986 -0.588132 -2.893140 8.242028 2.229491 7.395969 0.001326 106 C 3.002865 2.930108 7.070067 -0.223937 25.821003 0.40472032E+03 0.93667652E+04 7.571606 6.642521 0.050739 2.013362 0.998429 29.105777 83.618211 0.647335 0.408829 -1.066760 -0.007568 0.079195 0.071452 0.106933 -0.008239 0.012569 0.051185 -0.051393 0.086755 -0.051090 -0.021099 0.072189 8.075264 8.157437 -1.142294 -1.337933 7.978604 1.193693 8.089751 0.001352 107 C 2.065554 6.500815 12.104877 0.690246 19.530585 0.22359510E+03 0.45144289E+04 6.772812 5.397784 0.068293 2.108552 0.999772 20.915622 58.331010 0.620820 0.488652 -1.008262 0.028432 0.054745 -0.021513 0.065332 -0.038806 -0.078254 0.043093 0.031092 -0.023283 -0.075085 -0.036923 0.112008 7.518104 6.629760 0.010254 2.890276 6.900301 -2.275878 9.024250 0.001638 108 C 1.430667 5.183770 12.390274 -0.245087 25.688237 0.42167601E+03 0.98894066E+04 7.636750 6.845040 -0.215988 1.935174 0.996415 29.436065 85.966380 0.626773 0.416682 -1.058524 0.040351 -0.060131 0.085841 0.112306 -0.036720 0.014470 -0.028790 0.001731 0.121379 -0.058234 -0.003619 0.061853 8.041532 7.435833 -0.493887 0.514931 7.390372 -1.633127 9.298391 0.001501 109 C 0.572801 5.242742 1.004656 0.644145 19.905597 0.24560141E+03 0.50959742E+04 6.941200 5.691233 -0.209397 1.998346 0.999331 22.323601 63.908004 0.596893 0.494553 -1.001397 0.001062 0.032500 0.012889 0.034979 -0.025518 0.075224 -0.043014 0.069656 0.094311 -0.070006 -0.045238 0.115244 7.639970 8.510986 0.121375 -3.377027 7.013507 1.391198 7.395417 0.001300 110 C 1.036115 4.065611 0.136933 -0.223913 25.819289 0.40468288E+03 0.93660657E+04 7.571817 6.642333 0.050752 2.013414 0.998426 29.106907 83.633392 0.647301 0.408844 -1.066707 0.072350 0.033029 -0.071454 0.106916 0.018117 -0.038096 -0.036478 0.040162 0.087021 -0.051193 -0.021083 0.072276 8.075684 9.013443 -0.648842 -1.701576 7.124407 0.561427 8.089201 0.001455 111 C 0.013352 10.101586 12.104877 0.690222 19.531195 0.22360341E+03 0.45146326E+04 6.772871 5.397822 0.068167 2.108494 0.999772 20.916130 58.332402 0.620829 0.488641 -1.008269 -0.061621 -0.002762 -0.021499 0.065322 0.005936 0.001803 -0.089307 -0.082767 -0.023288 -0.075074 -0.036927 0.112001 7.518174 6.841649 0.112005 0.525805 6.688595 3.641033 9.024278 0.001644 112 C 1.471390 10.210280 12.390274 -0.245086 25.688476 0.42167976E+03 0.98895368E+04 7.636840 6.845097 -0.216102 1.935136 0.996414 29.436413 85.968156 0.626766 0.416685 -1.058519 0.031905 0.065001 0.085843 0.112304 0.017612 0.017694 0.026936 -0.064442 0.121383 -0.058223 -0.003635 0.061858 8.041640 6.974120 0.227269 1.156826 7.852236 1.262574 9.298562 0.001504 113 C 1.849252 9.437860 1.004656 0.644147 19.905346 0.24559658E+03 0.50958413E+04 6.941112 5.691155 -0.209163 1.998427 0.999332 22.323274 63.906551 0.596902 0.494549 -1.001401 -0.028688 -0.015336 0.012878 0.034986 -0.017396 -0.000363 0.086640 -0.079027 0.094311 -0.069992 -0.045239 0.115231 7.639885 7.492892 -0.709156 0.483801 8.031422 -3.620164 7.395342 0.001316 114 C 2.637020 10.427668 0.136933 -0.223907 25.819330 0.40468355E+03 0.93660871E+04 7.571811 6.642322 0.050739 2.013409 0.998427 29.107054 83.633905 0.647303 0.408842 -1.066708 -0.064780 0.046137 -0.071455 0.106915 -0.026454 0.050646 -0.014749 0.011299 0.087019 -0.051202 -0.021080 0.072282 8.075679 7.034738 -0.493567 0.364618 9.103093 -1.754284 8.089205 0.001442 115 C -2.078906 6.523941 12.104877 0.690205 19.532060 0.22361169E+03 0.45148774E+04 6.773253 5.398043 0.067173 2.108152 0.999771 20.917010 58.336864 0.620791 0.488663 -1.008250 0.033220 -0.051980 -0.021491 0.065325 0.032886 0.076431 0.046216 0.051692 -0.023407 -0.075079 -0.036925 0.112005 7.518685 6.824410 -0.122229 -3.416501 6.706707 -1.365273 9.024937 0.001631 116 C -2.902057 7.732292 12.390274 -0.245081 25.688793 0.42168463E+03 0.98896867E+04 7.636907 6.845132 -0.216265 1.935085 0.996412 29.436707 85.969370 0.626764 0.416684 -1.058519 -0.072243 -0.004861 0.085849 0.112307 0.019081 -0.032173 0.001838 0.062751 0.121333 -0.058211 -0.003642 0.061853 8.041740 7.829728 0.266553 -1.671928 6.996861 0.370573 9.298631 0.001475 117 C -2.422053 8.445740 1.004656 0.644143 19.905596 0.24560013E+03 0.50959219E+04 6.941116 5.691157 -0.209180 1.998420 0.999331 22.323285 63.906158 0.596909 0.494543 -1.001406 0.027633 -0.017163 0.012868 0.034982 0.042917 -0.074851 -0.043637 0.009384 0.094289 -0.069989 -0.045241 0.115230 7.639896 7.282701 0.587733 2.893264 8.241689 2.229007 7.395296 0.001347 118 C -3.673135 8.633063 0.136933 -0.223905 25.819255 0.40468158E+03 0.93660222E+04 7.571778 6.642293 0.050721 2.013408 0.998426 29.106898 83.633139 0.647307 0.408840 -1.066710 -0.007569 -0.079165 -0.071457 0.106913 0.008335 -0.012545 0.051243 -0.051462 0.086999 -0.051198 -0.021086 0.072285 8.075655 8.158574 1.142403 1.336945 7.979255 1.192875 8.089136 0.001481 119 N -2.041521 4.507324 6.362340 -0.282467 31.642158 0.51533798E+03 0.12546445E+05 8.613588 7.482918 -0.547584 1.847571 0.998474 28.766805 82.103044 0.617442 0.407456 -1.078133 0.163072 0.001348 -0.034463 0.166679 0.035047 0.040685 -0.070458 -0.001945 0.179603 -0.103563 0.001853 0.101710 9.434574 9.983552 1.446795 0.876481 7.596776 -1.397595 10.723396 -0.076700 120 N -1.751782 11.077518 6.362340 -0.281267 31.609318 0.51464630E+03 0.12525541E+05 8.607941 7.477973 -0.547310 1.847884 0.998472 28.748442 82.040366 0.617630 0.407465 -1.078116 -0.079731 -0.141671 -0.034167 0.166117 -0.018256 -0.081241 0.000034 -0.059597 0.179514 -0.103377 0.001772 0.101604 9.428347 6.936684 0.309590 -1.647452 10.632335 -0.060236 10.716023 0.057702 121 N 3.793303 7.541500 6.362340 -0.281373 31.612223 0.51470118E+03 0.12527322E+05 8.608684 7.478519 -0.547109 1.847910 0.998474 28.750825 82.051008 0.617584 0.407481 -1.078095 -0.082864 0.139850 -0.034155 0.166106 -0.016697 0.040639 0.070375 0.061531 0.179542 -0.103447 0.001826 0.101622 9.429247 9.440366 -1.755374 0.771608 8.130310 1.457357 10.717065 0.057889 122 N 4.634479 7.055847 0.844660 -0.281269 31.609415 0.51464787E+03 0.12525656E+05 8.608045 7.478000 -0.547130 1.847943 0.998472 28.748667 82.042698 0.617623 0.407467 -1.078109 0.162559 -0.001791 0.034175 0.166123 -0.034953 -0.040584 -0.070357 -0.001814 0.179533 -0.103381 0.001790 0.101591 9.428542 9.977461 -1.444617 -0.876713 7.592716 -1.397170 10.715450 0.057686 123 N 4.924218 0.485653 0.844660 -0.281275 31.609937 0.51465754E+03 0.12525938E+05 8.608075 7.478013 -0.547100 1.847949 0.998473 28.749023 82.043591 0.617631 0.407460 -1.078114 -0.079731 0.141681 0.034172 0.166127 0.018267 0.081217 0.000034 -0.059641 0.179514 -0.103378 0.001797 0.101582 9.428587 6.937879 -0.310329 1.648368 10.632359 -0.060597 10.715524 0.057693 124 N 10.469303 4.021671 0.844660 -0.281273 31.609874 0.51465460E+03 0.12525876E+05 8.608166 7.478073 -0.547133 1.847939 0.998473 28.748951 82.044020 0.617617 0.407469 -1.078106 -0.082831 -0.139892 0.034168 0.166127 0.016690 -0.040644 0.070310 0.061460 0.179497 -0.103371 0.001795 0.101576 9.428725 9.440221 1.754966 -0.771756 8.130304 1.457816 10.715650 0.057690 125 N 8.717521 7.055847 8.051660 -0.282467 31.642159 0.51533796E+03 0.12546445E+05 8.613590 7.482919 -0.547586 1.847570 0.998474 28.766809 82.103069 0.617442 0.407456 -1.078133 -0.163072 -0.001348 0.034463 0.166679 0.035047 0.040685 -0.070458 -0.001945 0.179603 -0.103563 0.001853 0.101710 9.434576 9.983556 1.446796 0.876480 7.596776 -1.397594 10.723397 -0.076701 126 N 8.427782 0.485653 8.051660 -0.281266 31.609312 0.51464617E+03 0.12525538E+05 8.607941 7.477973 -0.547312 1.847884 0.998472 28.748440 82.040370 0.617630 0.407465 -1.078115 0.079731 0.141671 0.034167 0.166118 -0.018256 -0.081241 0.000034 -0.059597 0.179514 -0.103377 0.001772 0.101604 9.428348 6.936683 0.309590 -1.647451 10.632337 -0.060236 10.716023 0.057702 127 N 2.882697 4.021671 8.051660 -0.281372 31.612225 0.51470119E+03 0.12527323E+05 8.608686 7.478520 -0.547110 1.847909 0.998474 28.750826 82.051023 0.617583 0.407481 -1.078095 0.082864 -0.139850 0.034155 0.166106 -0.016697 0.040639 0.070375 0.061531 0.179542 -0.103447 0.001826 0.101622 9.429249 9.440369 -1.755376 0.771608 8.130311 1.457358 10.717067 0.057889 128 N 2.041521 4.507324 13.569340 -0.281268 31.609415 0.51464787E+03 0.12525657E+05 8.608046 7.478001 -0.547131 1.847943 0.998472 28.748668 82.042714 0.617623 0.407467 -1.078108 -0.162560 0.001791 -0.034175 0.166123 -0.034953 -0.040584 -0.070357 -0.001814 0.179533 -0.103381 0.001790 0.101591 9.428544 9.977462 -1.444618 -0.876715 7.592717 -1.397169 10.715452 0.057686 129 N 1.751782 11.077518 13.569340 -0.281275 31.609935 0.51465747E+03 0.12525936E+05 8.608076 7.478014 -0.547102 1.847948 0.998473 28.749024 82.043608 0.617630 0.407461 -1.078114 0.079731 -0.141681 -0.034172 0.166127 0.018267 0.081217 0.000034 -0.059641 0.179514 -0.103378 0.001796 0.101582 9.428589 6.937879 -0.310330 1.648368 10.632362 -0.060597 10.715526 0.057693 130 N -3.793303 7.541500 13.569340 -0.281273 31.609867 0.51465444E+03 0.12525872E+05 8.608166 7.478073 -0.547135 1.847938 0.998473 28.748952 82.044035 0.617617 0.407469 -1.078105 0.082831 0.139892 -0.034168 0.166127 0.016690 -0.040644 0.070310 0.061460 0.179497 -0.103371 0.001795 0.101576 9.428726 9.440222 1.754967 -0.771755 8.130304 1.457814 10.715651 0.057690 131 O -1.671670 7.155290 3.910518 -0.662086 45.092751 0.65876633E+03 0.16648996E+05 10.043759 7.989206 0.214273 2.097007 0.996202 29.231843 78.589233 0.667025 0.363335 -1.136443 -0.084791 -0.010495 0.041470 0.094971 0.049366 0.038950 -0.002228 0.026435 0.106061 -0.075121 0.008597 0.066524 11.582244 8.960607 2.950974 -4.531356 9.559558 -5.053054 16.226568 -0.010960 132 O -2.998192 6.915933 5.654612 -0.530169 32.257992 0.50475811E+03 0.11907738E+05 7.941768 6.890753 0.661299 2.280180 0.997624 26.617563 68.621099 0.736002 0.352762 -1.147500 0.003543 -0.006998 -0.015587 0.017449 0.027905 -0.024832 0.020374 0.096130 0.123050 -0.081785 0.021765 0.060020 8.672342 9.884962 0.349908 -4.460015 5.964745 -0.453937 10.167320 -0.076368 133 O -1.148272 6.352806 8.051660 -0.669510 39.362555 0.74159228E+03 0.19352929E+05 9.241497 8.549385 -0.059318 2.000848 0.994965 30.181011 83.116344 0.635022 0.369603 -1.128818 -0.010203 -0.027942 -0.042585 0.051946 -0.032145 -0.060254 -0.048267 -0.043901 -0.021931 -0.099003 0.036685 0.062318 9.662622 9.887582 -0.871038 2.242708 10.961810 1.048016 8.138473 0.001367 134 O 0.337138 5.075076 9.046226 -0.614303 35.304765 0.54368826E+03 0.13093619E+05 8.499077 7.194315 0.450514 2.187868 0.995106 28.158738 73.843936 0.712420 0.356993 -1.141724 0.001484 -0.014173 -0.007720 0.016207 0.005507 -0.002695 -0.039529 0.193413 0.096090 -0.122920 0.041718 0.081202 9.451340 12.685562 -1.283273 3.960010 5.947502 0.149705 9.720957 -0.000381 135 O 0.356498 9.433235 3.910518 -0.661889 45.091582 0.65875731E+03 0.16648750E+05 10.043709 7.989238 0.214511 2.097064 0.996208 29.231896 78.589933 0.667012 0.363343 -1.136434 0.033248 0.078684 0.041494 0.094965 -0.013219 -0.021398 -0.032528 -0.098533 0.105909 -0.075000 0.008624 0.066376 11.582223 6.854314 -1.735205 -2.110631 11.666015 6.450696 16.226341 0.008749 136 O 0.812469 10.701715 5.654612 -0.529093 32.224096 0.50408719E+03 0.11887804E+05 7.935689 6.885679 0.663050 2.280968 0.997627 26.602445 68.567400 0.736361 0.352711 -1.147556 -0.008162 0.000528 -0.015223 0.017281 0.027616 0.029939 0.011512 -0.096288 0.123329 -0.081687 0.021548 0.060139 8.665549 6.637292 1.521233 1.835786 9.200010 4.085750 10.159346 0.057442 137 O -0.600172 9.381201 8.051660 -0.669113 39.343108 0.74108518E+03 0.19336225E+05 9.238307 8.546253 -0.058836 2.001167 0.994958 30.171272 83.079766 0.635167 0.369585 -1.128842 -0.018998 0.023123 -0.042602 0.052063 -0.002933 -0.011704 0.076268 0.077582 -0.022023 -0.098949 0.036653 0.062296 9.659473 11.444248 -0.029218 -0.214271 9.399477 -2.465314 8.134695 -0.000961 138 O -2.449424 8.733663 9.046226 -0.614454 35.312710 0.54383675E+03 0.13098033E+05 8.500110 7.195055 0.451127 2.187973 0.995109 28.163018 73.856483 0.712422 0.356969 -1.141748 -0.012937 0.005995 -0.007624 0.016170 0.080939 -0.032863 0.022054 -0.106183 0.095971 -0.122823 0.041671 0.081152 9.452688 8.744215 3.559766 -1.850860 9.891515 -3.505476 9.722335 0.000761 139 O 1.315172 6.537817 3.910518 -0.662045 45.102162 0.65891595E+03 0.16653686E+05 10.044870 7.989858 0.215148 2.097180 0.996207 29.236156 78.602406 0.667031 0.363312 -1.136464 0.051624 -0.068156 0.041548 0.095061 -0.036024 -0.017514 0.034833 0.072166 0.105860 -0.074987 0.008572 0.066414 11.583853 11.967252 -1.216265 6.643310 6.555202 -1.397874 16.229106 0.008091 140 O 2.185722 5.508695 5.654612 -0.529227 32.232605 0.50424104E+03 0.11892358E+05 7.937003 6.886636 0.663303 2.280949 0.997632 26.606442 68.580729 0.736324 0.352701 -1.147562 0.004673 0.006842 -0.015159 0.017275 -0.055573 -0.005029 -0.031714 0.000292 0.123376 -0.081778 0.021597 0.060181 8.667177 7.242991 -1.871007 2.621361 8.597105 -3.633649 10.161435 0.057667 141 O 1.748444 7.392335 8.051660 -0.669105 39.342568 0.74106797E+03 0.19335639E+05 9.238129 8.546064 -0.058631 2.001228 0.994960 30.171025 83.078453 0.635185 0.369577 -1.128849 0.029616 0.004899 -0.042645 0.052151 0.035076 0.071854 -0.028007 -0.033686 -0.021984 -0.098912 0.036653 0.062259 9.659314 9.935583 0.900000 -2.028074 10.907733 1.418015 8.134625 -0.000964 142 O 2.112286 9.317603 9.046226 -0.614409 35.313582 0.54385797E+03 0.13098694E+05 8.500321 7.195265 0.451356 2.188056 0.995111 28.162844 73.856857 0.712401 0.356976 -1.141740 0.011604 0.008278 -0.007718 0.016210 -0.086530 0.035524 0.017405 -0.087128 0.096054 -0.122899 0.041677 0.081221 9.452926 6.521975 -2.276936 -2.110584 12.114139 3.355512 9.722664 0.000532 143 O 5.004330 4.407881 3.296482 -0.661956 45.092250 0.65876616E+03 0.16648982E+05 10.043638 7.989152 0.214795 2.097136 0.996207 29.232460 78.590740 0.667035 0.363330 -1.136447 -0.084825 0.010587 -0.041500 0.095024 -0.049258 -0.038922 -0.002240 0.026343 0.105840 -0.074979 0.008561 0.066418 11.582140 8.960336 -2.951004 4.531208 9.559699 -5.053132 16.226386 0.008631 144 O 3.677808 4.647238 1.552388 -0.529080 32.224320 0.50408860E+03 0.11887826E+05 7.935701 6.885655 0.663113 2.280992 0.997627 26.602240 68.566470 0.736369 0.352708 -1.147561 0.003601 0.007354 0.015232 0.017293 -0.027884 0.024933 0.020172 0.095997 0.123357 -0.081698 0.021557 0.060141 8.665584 9.877240 -0.348725 4.456364 5.960588 -0.452755 10.158925 0.057450 145 O 5.527728 5.210365 13.569340 -0.669125 39.344589 0.74110836E+03 0.19336997E+05 9.238572 8.546353 -0.058854 2.001140 0.994961 30.171900 83.082085 0.635166 0.369582 -1.128843 -0.010507 0.028037 0.042598 0.052067 0.032147 0.060200 -0.048238 -0.043892 -0.021983 -0.098945 0.036678 0.062267 9.659932 9.885675 0.871182 -2.242075 10.959494 1.047458 8.134628 -0.000908 146 O 7.013138 6.488095 12.574774 -0.614392 35.313743 0.54387044E+03 0.13099086E+05 8.500382 7.195449 0.451000 2.187953 0.995112 28.162297 73.855984 0.712375 0.356986 -1.141731 0.001364 0.014190 0.007714 0.016209 -0.005532 0.002695 -0.039490 0.193395 0.096042 -0.122887 0.041684 0.081203 9.452939 12.688135 1.282881 -3.960974 5.948421 0.150441 9.722261 0.000075 147 O 7.032498 2.129936 3.296482 -0.661923 45.092569 0.65877161E+03 0.16649185E+05 10.043793 7.989272 0.214618 2.097090 0.996208 29.232332 78.591021 0.667017 0.363338 -1.136439 0.033205 -0.078703 -0.041496 0.094967 0.013217 0.021400 -0.032534 -0.098523 0.105919 -0.074998 0.008616 0.066382 11.582332 6.854361 1.735108 2.110548 11.666126 6.450838 16.226508 0.008651 148 O 7.488469 0.861456 1.552388 -0.529089 32.225479 0.50410973E+03 0.11888458E+05 7.935911 6.885811 0.663074 2.280967 0.997628 26.602745 68.568337 0.736358 0.352709 -1.147559 -0.008174 -0.000558 0.015220 0.017285 -0.027633 -0.029938 0.011505 -0.096295 0.123334 -0.081698 0.021560 0.060138 8.665843 6.637938 -1.521678 -1.836147 9.200387 4.085875 10.159204 0.057451 149 O 6.075828 2.181970 13.569340 -0.669142 39.344587 0.74111140E+03 0.19337058E+05 9.238502 8.546319 -0.058722 2.001191 0.994959 30.171931 83.081596 0.635175 0.369578 -1.128849 -0.019036 -0.023102 0.042610 0.052073 0.002931 0.011682 0.076248 0.077607 -0.022044 -0.098937 0.036673 0.062264 9.659831 11.445510 0.029331 0.214040 9.399617 -2.465284 8.134367 -0.001228 150 O 4.226576 2.829508 12.574774 -0.614393 35.313485 0.54386110E+03 0.13098818E+05 8.500436 7.195460 0.451014 2.187973 0.995108 28.161726 73.854618 0.712363 0.356994 -1.141724 -0.012968 -0.005882 0.007691 0.016184 -0.080975 0.032845 0.022065 -0.106284 0.096029 -0.122880 0.041676 0.081204 9.453038 8.744261 -3.559829 1.850381 9.892303 -3.505732 9.722551 0.000445 151 O 7.991172 5.025354 3.296482 -0.661999 45.101215 0.65890096E+03 0.16653304E+05 10.045072 7.990021 0.214321 2.096937 0.996204 29.235055 78.600840 0.666989 0.363335 -1.136439 0.051515 0.068131 -0.041561 0.094989 0.036020 0.017499 0.034832 0.072091 0.105879 -0.074960 0.008565 0.066396 11.584104 11.967804 1.216328 -6.643429 6.555362 -1.398035 16.229147 0.008688 152 O 8.861722 6.054476 1.552388 -0.529053 32.226450 0.50412098E+03 0.11888829E+05 7.936220 6.885993 0.662615 2.280838 0.997623 26.602509 68.568765 0.736329 0.352720 -1.147546 0.004564 -0.006799 0.015219 0.017282 0.055512 0.005010 -0.031683 0.000312 0.123320 -0.081698 0.021563 0.060135 8.666284 7.242394 1.870610 -2.620690 8.596668 -3.633347 10.159790 0.057441 153 O 8.424444 4.170836 13.569340 -0.669122 39.344042 0.74109296E+03 0.19336466E+05 9.238454 8.546239 -0.058715 2.001194 0.994960 30.171552 83.080452 0.635175 0.369580 -1.128846 0.029510 -0.004952 0.042608 0.052065 -0.035066 -0.071862 -0.028000 -0.033731 -0.021986 -0.098919 0.036664 0.062255 9.659826 9.936646 -0.900653 2.028137 10.908413 1.417846 8.134419 -0.000872 154 O 8.788286 2.245568 12.574774 -0.614368 35.311516 0.54382346E+03 0.13097650E+05 8.500011 7.195119 0.451256 2.188053 0.995111 28.161245 73.851974 0.712396 0.356984 -1.141734 0.011566 -0.008301 0.007721 0.016195 0.086508 -0.035532 0.017412 -0.087107 0.096020 -0.122876 0.041673 0.081203 9.452545 6.522070 2.276880 2.110698 12.113642 3.355096 9.721922 0.000526 155 O 8.347670 4.407881 10.503482 -0.662086 45.092747 0.65876628E+03 0.16648995E+05 10.043758 7.989206 0.214273 2.097007 0.996202 29.231842 78.589230 0.667025 0.363335 -1.136443 0.084791 0.010494 -0.041470 0.094971 0.049366 0.038950 -0.002228 0.026435 0.106061 -0.075121 0.008597 0.066524 11.582243 8.960606 2.950973 -4.531355 9.559558 -5.053054 16.226566 -0.010960 156 O 9.674192 4.647238 8.759388 -0.530169 32.257982 0.50475797E+03 0.11907734E+05 7.941766 6.890752 0.661300 2.280181 0.997624 26.617559 68.621084 0.736002 0.352762 -1.147500 -0.003543 0.006998 0.015587 0.017449 0.027905 -0.024832 0.020374 0.096130 0.123050 -0.081785 0.021764 0.060020 8.672340 9.884960 0.349907 -4.460013 5.964744 -0.453937 10.167316 -0.076369 157 O 7.824272 5.210365 6.362340 -0.669510 39.362543 0.74159203E+03 0.19352921E+05 9.241495 8.549384 -0.059318 2.000848 0.994965 30.181006 83.116324 0.635022 0.369603 -1.128818 0.010203 0.027942 0.042585 0.051945 -0.032145 -0.060254 -0.048267 -0.043901 -0.021931 -0.099003 0.036685 0.062318 9.662619 9.887578 -0.871037 2.242707 10.961808 1.048016 8.138471 0.001367 158 O 6.338862 6.488095 5.367774 -0.614303 35.304763 0.54368820E+03 0.13093617E+05 8.499077 7.194315 0.450513 2.187868 0.995106 28.158736 73.843930 0.712420 0.356993 -1.141724 -0.001484 0.014173 0.007720 0.016207 0.005507 -0.002695 -0.039529 0.193413 0.096090 -0.122920 0.041718 0.081202 9.451341 12.685562 -1.283273 3.960011 5.947502 0.149705 9.720958 -0.000381 159 O 6.319502 2.129936 10.503482 -0.661889 45.091577 0.65875720E+03 0.16648747E+05 10.043709 7.989237 0.214511 2.097064 0.996208 29.231893 78.589925 0.667012 0.363343 -1.136434 -0.033248 -0.078684 -0.041494 0.094965 -0.013219 -0.021398 -0.032528 -0.098533 0.105909 -0.075000 0.008624 0.066376 11.582223 6.854314 -1.735204 -2.110631 11.666014 6.450695 16.226341 0.008749 160 O 5.863531 0.861456 8.759388 -0.529093 32.224094 0.50408717E+03 0.11887803E+05 7.935688 6.885679 0.663050 2.280968 0.997627 26.602445 68.567397 0.736361 0.352711 -1.147556 0.008162 -0.000528 0.015223 0.017281 0.027616 0.029939 0.011512 -0.096288 0.123329 -0.081687 0.021548 0.060139 8.665548 6.637291 1.521233 1.835786 9.200009 4.085750 10.159345 0.057442 161 O 7.276172 2.181970 6.362340 -0.669113 39.343106 0.74108513E+03 0.19336223E+05 9.238307 8.546253 -0.058836 2.001167 0.994958 30.171271 83.079762 0.635167 0.369585 -1.128842 0.018998 -0.023123 0.042602 0.052063 -0.002933 -0.011704 0.076268 0.077582 -0.022023 -0.098949 0.036653 0.062296 9.659473 11.444247 -0.029218 -0.214271 9.399476 -2.465314 8.134695 -0.000961 162 O 9.125424 2.829508 5.367774 -0.614454 35.312716 0.54383684E+03 0.13098035E+05 8.500112 7.195056 0.451127 2.187973 0.995109 28.163019 73.856489 0.712422 0.356969 -1.141748 0.012938 -0.005995 0.007624 0.016170 0.080939 -0.032863 0.022054 -0.106183 0.095971 -0.122823 0.041671 0.081152 9.452690 8.744216 3.559767 -1.850861 9.891517 -3.505478 9.722338 0.000761 163 O 5.360828 5.025354 10.503482 -0.662046 45.102165 0.65891600E+03 0.16653688E+05 10.044870 7.989859 0.215148 2.097180 0.996207 29.236157 78.602410 0.667031 0.363312 -1.136464 -0.051624 0.068156 -0.041548 0.095061 -0.036024 -0.017514 0.034833 0.072166 0.105860 -0.074987 0.008572 0.066414 11.583854 11.967253 -1.216265 6.643311 6.555202 -1.397874 16.229107 0.008091 164 O 4.490278 6.054476 8.759388 -0.529228 32.232611 0.50424107E+03 0.11892359E+05 7.937004 6.886636 0.663303 2.280949 0.997632 26.606443 68.580731 0.736324 0.352701 -1.147562 -0.004673 -0.006842 0.015159 0.017275 -0.055573 -0.005029 -0.031714 0.000292 0.123376 -0.081778 0.021597 0.060181 8.667178 7.242992 -1.871009 2.621363 8.597107 -3.633651 10.161437 0.057666 165 O 4.927556 4.170836 6.362340 -0.669105 39.342568 0.74106800E+03 0.19335640E+05 9.238129 8.546064 -0.058631 2.001228 0.994960 30.171025 83.078454 0.635185 0.369577 -1.128849 -0.029616 -0.004899 0.042645 0.052151 0.035076 0.071853 -0.028007 -0.033686 -0.021984 -0.098912 0.036653 0.062259 9.659314 9.935583 0.900001 -2.028073 10.907734 1.418014 8.134625 -0.000965 166 O 4.563714 2.245568 5.367774 -0.614408 35.313579 0.54385789E+03 0.13098691E+05 8.500320 7.195264 0.451356 2.188056 0.995111 28.162843 73.856851 0.712401 0.356976 -1.141740 -0.011605 -0.008278 0.007718 0.016210 -0.086530 0.035524 0.017405 -0.087128 0.096054 -0.122899 0.041677 0.081221 9.452925 6.521974 -2.276936 -2.110584 12.114138 3.355513 9.722663 0.000532 167 O 1.671670 7.155290 11.117518 -0.661956 45.092246 0.65876609E+03 0.16648980E+05 10.043637 7.989151 0.214795 2.097136 0.996207 29.232459 78.590734 0.667035 0.363330 -1.136447 0.084825 -0.010587 0.041500 0.095024 -0.049258 -0.038922 -0.002240 0.026343 0.105840 -0.074979 0.008561 0.066418 11.582139 8.960335 -2.951003 4.531208 9.559698 -5.053132 16.226385 0.008631 168 O 2.998192 6.915933 12.861612 -0.529080 32.224319 0.50408852E+03 0.11887823E+05 7.935701 6.885654 0.663114 2.280992 0.997627 26.602239 68.566466 0.736369 0.352708 -1.147561 -0.003601 -0.007354 -0.015232 0.017293 -0.027884 0.024933 0.020172 0.095997 0.123357 -0.081698 0.021557 0.060141 8.665585 9.877240 -0.348725 4.456365 5.960587 -0.452755 10.158927 0.057450 169 O 1.148272 6.352806 0.844660 -0.669125 39.344587 0.74110830E+03 0.19336995E+05 9.238571 8.546352 -0.058854 2.001140 0.994961 30.171899 83.082078 0.635167 0.369582 -1.128843 0.010507 -0.028037 -0.042598 0.052067 0.032147 0.060200 -0.048238 -0.043892 -0.021983 -0.098945 0.036678 0.062267 9.659931 9.885675 0.871182 -2.242075 10.959492 1.047458 8.134627 -0.000908 170 O -0.337138 5.075076 1.839226 -0.614392 35.313752 0.54387057E+03 0.13099089E+05 8.500384 7.195450 0.451000 2.187953 0.995112 28.162299 73.855992 0.712375 0.356986 -1.141731 -0.001364 -0.014190 -0.007714 0.016209 -0.005532 0.002695 -0.039490 0.193395 0.096042 -0.122887 0.041684 0.081203 9.452941 12.688138 1.282881 -3.960976 5.948422 0.150440 9.722264 0.000075 171 O -0.356498 9.433235 11.117518 -0.661923 45.092568 0.65877158E+03 0.16649184E+05 10.043793 7.989272 0.214618 2.097090 0.996208 29.232332 78.591019 0.667017 0.363338 -1.136439 -0.033205 0.078703 0.041496 0.094967 0.013217 0.021400 -0.032534 -0.098523 0.105919 -0.074998 0.008616 0.066382 11.582331 6.854360 1.735108 2.110548 11.666125 6.450838 16.226507 0.008651 172 O -0.812469 10.701715 12.861612 -0.529089 32.225476 0.50410968E+03 0.11888457E+05 7.935911 6.885811 0.663075 2.280967 0.997628 26.602744 68.568332 0.736358 0.352709 -1.147559 0.008174 0.000558 -0.015220 0.017285 -0.027633 -0.029938 0.011505 -0.096295 0.123334 -0.081698 0.021560 0.060138 8.665843 6.637938 -1.521678 -1.836147 9.200386 4.085875 10.159204 0.057451 173 O 0.600172 9.381201 0.844660 -0.669142 39.344581 0.74111126E+03 0.19337054E+05 9.238501 8.546318 -0.058722 2.001192 0.994959 30.171928 83.081585 0.635175 0.369578 -1.128849 0.019036 0.023102 -0.042610 0.052073 0.002931 0.011682 0.076248 0.077607 -0.022044 -0.098937 0.036673 0.062264 9.659830 11.445509 0.029331 0.214039 9.399615 -2.465283 8.134366 -0.001228 174 O 2.449424 8.733663 1.839226 -0.614393 35.313488 0.54386112E+03 0.13098819E+05 8.500436 7.195461 0.451014 2.187973 0.995108 28.161726 73.854618 0.712363 0.356994 -1.141724 0.012968 0.005882 -0.007691 0.016184 -0.080975 0.032845 0.022065 -0.106284 0.096029 -0.122879 0.041676 0.081204 9.453040 8.744262 -3.559830 1.850382 9.892304 -3.505733 9.722552 0.000445 175 O -1.315172 6.537817 11.117518 -0.661999 45.101213 0.65890093E+03 0.16653303E+05 10.045071 7.990021 0.214321 2.096937 0.996204 29.235054 78.600838 0.666989 0.363335 -1.136439 -0.051515 -0.068131 0.041561 0.094989 0.036020 0.017499 0.034832 0.072091 0.105879 -0.074960 0.008565 0.066396 11.584104 11.967803 1.216327 -6.643429 6.555361 -1.398035 16.229147 0.008688 176 O -2.185722 5.508695 12.861612 -0.529053 32.226442 0.50412089E+03 0.11888826E+05 7.936219 6.885993 0.662616 2.280838 0.997623 26.602507 68.568756 0.736329 0.352720 -1.147546 -0.004564 0.006799 -0.015219 0.017282 0.055512 0.005009 -0.031683 0.000313 0.123320 -0.081698 0.021563 0.060135 8.666282 7.242392 1.870609 -2.620688 8.596666 -3.633345 10.159787 0.057441 177 O -1.748444 7.392335 0.844660 -0.669122 39.344037 0.74109286E+03 0.19336463E+05 9.238453 8.546238 -0.058715 2.001194 0.994960 30.171550 83.080445 0.635175 0.369580 -1.128846 -0.029510 0.004952 -0.042608 0.052065 -0.035066 -0.071861 -0.028000 -0.033731 -0.021986 -0.098919 0.036664 0.062255 9.659825 9.936646 -0.900652 2.028138 10.908411 1.417846 8.134419 -0.000872 178 O -2.112286 9.317603 1.839226 -0.614368 35.311523 0.54382354E+03 0.13097652E+05 8.500013 7.195120 0.451255 2.188053 0.995111 28.161245 73.851978 0.712396 0.356984 -1.141734 -0.011566 0.008301 -0.007721 0.016195 0.086508 -0.035531 0.017412 -0.087107 0.096020 -0.122876 0.041673 0.081203 9.452547 6.522071 2.276881 2.110699 12.113645 3.355097 9.721925 0.000526 ****************************************************** Auxiliary information for the entire system The total spin magnetic moment of the unit cell is 3.758742 The total net atomic charge of the unit cell is 0.000001 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= 56178 The rms potential error without charges in kcal/mol is= 6.49782 The rms potential error with partial charges in kcal/mol is= 0.67984 The RRMSE value at monopole order= 0.10463 The rms potential error with partial charges and cloud penetration in kcal/mol is= 0.67352 The RRMSE value at monopole order with cloud penetration is= 0.10365 The rms potential error with partial charges and atomic dipoles in kcal/mol is= 0.63277 The RRMSE value at dipole order= 0.09738 The rms potential error with partial charges, atomic dipoles and cloud penetration in kcal/mol is= 0.62360 The RRMSE value at dipole order with cloud penetration= 0.09597 ****************************************************** 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.