424 jmolscript: load "" {1 1 1} spacegroup "x,y,z" unitcell [{ 14.709700 0.000000 0.000000 }, { 0.000000 21.832000 0.000000 }, { 0.000000 0.000000 26.719000 }] Cu 11.086113 -0.029255 12.354598 0.293029 Cu 3.623587 10.886745 1.004634 0.293032 Cu 3.731263 10.886745 14.364402 0.293036 Cu 10.978437 -0.029255 25.714098 0.293031 Cu 10.978437 10.945255 12.354598 0.293036 Cu 3.731263 0.029255 1.004634 0.293041 Cu 3.623587 0.029255 14.364402 0.293028 Cu 11.086113 10.945255 25.714098 0.293022 H 11.252920 19.103000 13.626690 0.069793 H 9.826080 17.181784 13.893880 0.109293 H 6.869430 19.124832 11.729641 0.106477 H 8.369819 20.958720 11.489170 0.073649 H 7.340140 16.199344 12.237302 0.110586 H 6.310461 17.181784 13.038872 0.101064 H 7.296011 16.592320 15.122954 0.104101 H 8.413948 15.697208 14.348103 0.098797 H 7.972657 13.514008 15.149673 0.111041 H 6.516397 11.592792 15.149673 0.070701 H 3.442070 13.775992 13.653409 0.072376 H 4.795362 15.784536 13.706847 0.110301 H 9.031756 21.788336 14.535136 0.076893 H 8.899368 0.392976 16.859689 0.111495 H 13.047504 0.742288 16.966565 0.113585 H 13.062214 0.371144 14.561855 0.075010 H 11.723631 1.440912 18.890333 0.106942 H 10.090854 1.353584 18.863614 0.108217 H 11.841308 20.915056 19.130804 0.109399 H 10.208532 20.827728 19.104085 0.109623 H 11.341179 1.746560 21.001134 0.109074 H 11.311759 1.833888 23.405844 0.071236 H 10.649823 19.670632 23.619596 0.073812 H 10.605694 19.495976 21.241605 0.111911 H 3.456779 8.187000 26.451810 0.069795 H 4.883620 6.265784 26.184620 0.109296 H 7.840270 8.208832 1.629859 0.106478 H 6.339881 10.042720 1.870330 0.073648 H 7.369560 5.283344 1.122198 0.110581 H 8.399239 6.265784 0.320628 0.101067 H 7.413689 5.676320 24.955546 0.104098 H 6.295752 4.781208 25.730397 0.098800 H 6.737043 2.598008 24.928827 0.111044 H 8.193303 0.676792 24.928827 0.070699 H 11.267630 2.859992 26.425091 0.072379 H 9.914338 4.868536 26.371653 0.110303 H 5.677944 10.872336 25.543364 0.076894 H 5.810331 11.308976 23.218811 0.111494 H 1.662196 11.658288 23.111935 0.113584 H 1.647486 11.287144 25.516645 0.075009 H 2.986069 12.356912 21.188167 0.106940 H 4.618846 12.269584 21.214886 0.108215 H 2.868391 9.999056 20.947696 0.109400 H 4.501168 9.911728 20.974415 0.109623 H 3.368521 12.662560 19.077366 0.109073 H 3.397941 12.749888 16.672656 0.071238 H 4.059877 8.754632 16.458904 0.073815 H 4.104006 8.579976 18.836895 0.111910 H 3.898070 8.187000 13.092310 0.069794 H 2.471230 6.265784 12.825120 0.109292 H 14.224280 8.208832 14.989359 0.106476 H 1.014969 10.042720 15.229830 0.073649 H -0.014710 5.283344 14.481698 0.110586 H 13.665311 6.265784 13.680128 0.101064 H 14.650861 5.676320 11.596046 0.104102 H 1.059098 4.781208 12.370897 0.098798 H 0.617807 2.598008 11.569327 0.111042 H 13.871247 0.676792 11.569327 0.070700 H 10.796920 2.859992 13.065591 0.072376 H 12.150212 4.868536 13.012153 0.110302 H 1.676906 10.872336 12.183864 0.076894 H 1.544518 11.308976 9.859311 0.111496 H 5.692654 11.658288 9.752435 0.113586 H 5.707364 11.287144 12.157145 0.075012 H 4.368781 12.356912 7.828667 0.106942 H 2.736004 12.269584 7.855386 0.108217 H 4.486458 9.999056 7.588196 0.109400 H 2.853682 9.911728 7.614915 0.109624 H 3.986329 12.662560 5.717866 0.109074 H 3.956909 12.749888 3.313156 0.071238 H 3.294973 8.754632 3.099404 0.073814 H 3.250844 8.579976 5.477395 0.111910 H 10.811629 19.103000 0.267190 0.069795 H 12.238470 17.181784 0.534380 0.109295 H 0.485420 19.124832 25.089141 0.106477 H 13.694731 20.958720 24.848670 0.073648 H 0.014710 16.199344 25.596802 0.110581 H 1.044389 17.181784 26.398372 0.101066 H 0.058839 16.592320 1.763454 0.104096 H 13.650602 15.697208 0.988603 0.098799 H 14.091893 13.514008 1.790173 0.111045 H 0.838453 11.592792 1.790173 0.070700 H 3.912780 13.775992 0.293909 0.072379 H 2.559488 15.784536 0.347347 0.110303 H 13.032794 21.788336 1.175636 0.076894 H 13.165181 0.392976 3.500189 0.111494 H 9.017046 0.742288 3.607065 0.113583 H 9.002336 0.371144 1.202355 0.075012 H 10.340919 1.440912 5.530833 0.106942 H 11.973696 1.353584 5.504114 0.108217 H 10.223241 20.915056 5.771304 0.109400 H 11.856018 20.827728 5.744585 0.109623 H 10.723371 1.746560 7.641634 0.109073 H 10.752791 1.833888 10.046344 0.071238 H 11.414727 19.670632 10.260096 0.073814 H 11.458856 19.495976 7.882105 0.111910 H 10.811629 13.645000 13.626690 0.069794 H 12.238470 15.566216 13.893880 0.109292 H 0.485420 13.623168 11.729641 0.106476 H 13.694731 11.789280 11.489170 0.073649 H 0.014710 16.548656 12.237302 0.110586 H 1.044389 15.566216 13.038872 0.101064 H 0.058839 16.155680 15.122954 0.104103 H 13.650602 17.050792 14.348103 0.098798 H 14.091893 19.233992 15.149673 0.111042 H 0.838453 21.155208 15.149673 0.070700 H 3.912780 18.972008 13.653409 0.072376 H 2.559488 16.963464 13.706847 0.110302 H 13.032794 10.959664 14.535136 0.076895 H 13.165181 10.523024 16.859689 0.111496 H 9.017046 10.173712 16.966565 0.113587 H 9.002336 10.544856 14.561855 0.075012 H 10.340919 9.475088 18.890333 0.106943 H 11.973696 9.562416 18.863614 0.108217 H 10.223241 11.832944 19.130804 0.109399 H 11.856018 11.920272 19.104085 0.109623 H 10.723371 9.169440 21.001134 0.109076 H 10.752791 9.082112 23.405844 0.071237 H 11.414727 13.077368 23.619596 0.073812 H 11.458856 13.252024 21.241605 0.111911 H 3.898070 2.729000 26.451810 0.069796 H 2.471230 4.650216 26.184620 0.109296 H 14.224280 2.707168 1.629859 0.106478 H 1.014969 0.873280 1.870330 0.073648 H -0.014710 5.632656 1.122198 0.110582 H 13.665311 4.650216 0.320628 0.101067 H 14.650861 5.239680 24.955546 0.104097 H 1.059098 6.134792 25.730397 0.098800 H 0.617807 8.317992 24.928827 0.111045 H 13.871247 10.239208 24.928827 0.070699 H 10.796920 8.056008 26.425091 0.072379 H 12.150212 6.047464 26.371653 0.110303 H 1.676906 0.043664 25.543364 0.076893 H 1.544518 21.439024 23.218811 0.111494 H 5.692654 21.089712 23.111935 0.113584 H 5.707364 21.460856 25.516645 0.075008 H 4.368781 20.391088 21.188167 0.106940 H 2.736004 20.478416 21.214886 0.108215 H 4.486458 0.916944 20.947696 0.109400 H 2.853682 1.004272 20.974415 0.109623 H 3.986329 20.085440 19.077366 0.109073 H 3.956909 19.998112 16.672656 0.071237 H 3.294973 2.161368 16.458904 0.073814 H 3.250844 2.336024 18.836895 0.111911 H 3.456779 2.729000 13.092310 0.069793 H 4.883620 4.650216 12.825120 0.109293 H 7.840270 2.707168 14.989359 0.106476 H 6.339881 0.873280 15.229830 0.073648 H 7.369560 5.632656 14.481698 0.110587 H 8.399239 4.650216 13.680128 0.101065 H 7.413689 5.239680 11.596046 0.104102 H 6.295752 6.134792 12.370897 0.098798 H 6.737043 8.317992 11.569327 0.111041 H 8.193303 10.239208 11.569327 0.070701 H 11.267630 8.056008 13.065591 0.072377 H 9.914338 6.047464 13.012153 0.110301 H 5.677944 0.043664 12.183864 0.076893 H 5.810331 21.439024 9.859311 0.111495 H 1.662196 21.089712 9.752435 0.113585 H 1.647486 21.460856 12.157145 0.075010 H 2.986069 20.391088 7.828667 0.106943 H 4.618846 20.478416 7.855386 0.108218 H 2.868391 0.916944 7.588196 0.109400 H 4.501168 1.004272 7.614915 0.109624 H 3.368521 20.085440 5.717866 0.109075 H 3.397941 19.998112 3.313156 0.071239 H 4.059877 2.161368 3.099404 0.073815 H 4.104006 2.336024 5.477395 0.111912 H 11.252920 13.645000 0.267190 0.069795 H 9.826080 15.566216 0.534380 0.109296 H 6.869430 13.623168 25.089141 0.106477 H 8.369819 11.789280 24.848670 0.073649 H 7.340140 16.548656 25.596802 0.110581 H 6.310461 15.566216 26.398372 0.101066 H 7.296011 16.155680 1.763454 0.104098 H 8.413948 17.050792 0.988603 0.098800 H 7.972657 19.233992 1.790173 0.111045 H 6.516397 21.155208 1.790173 0.070700 H 3.442070 18.972008 0.293909 0.072379 H 4.795362 16.963464 0.347347 0.110303 H 9.031756 10.959664 1.175636 0.076896 H 8.899368 10.523024 3.500189 0.111495 H 13.047504 10.173712 3.607065 0.113584 H 13.062214 10.544856 1.202355 0.075012 H 11.723631 9.475088 5.530833 0.106942 H 10.090854 9.562416 5.504114 0.108217 H 11.841308 11.832944 5.771304 0.109399 H 10.208532 11.920272 5.744585 0.109623 H 11.341179 9.169440 7.641634 0.109073 H 11.311759 9.082112 10.046344 0.071238 H 10.649823 13.077368 10.260096 0.073815 H 10.605694 13.252024 7.882105 0.111910 C 10.323267 19.100817 13.201591 0.039499 C 9.498053 17.980835 13.380875 -0.219888 C 8.215367 17.980835 12.858519 0.151439 C 7.803496 19.096450 12.139778 -0.234450 C 8.699317 20.153119 11.973853 0.060687 C 7.260708 16.823739 13.039406 -0.218365 C 7.448992 16.000673 14.289321 -0.217833 C 6.526694 14.810829 14.374288 0.153017 C 7.009172 13.596970 14.838129 -0.224056 C 6.147184 12.494454 14.862978 0.043230 C 4.401142 13.721412 14.002626 0.054708 C 5.195466 14.902523 13.995412 -0.235314 C 9.874622 0.133175 15.037720 0.042842 C 9.804015 0.388610 16.401725 -0.223198 C 10.964610 0.609113 17.132223 0.149202 C 12.172277 0.582914 16.463179 -0.226979 C 12.178161 0.375510 15.055088 0.043416 C 10.939604 0.868914 18.624212 -0.227268 C 10.989617 21.395360 19.386772 -0.222199 C 10.967552 21.530718 20.897731 0.146844 C 11.177901 0.895112 21.559027 -0.219981 C 11.170546 0.934410 22.940132 0.057072 C 10.799862 20.517714 23.060635 0.064845 C 10.770442 20.404187 21.691820 -0.229038 C 4.386433 8.184817 0.157909 0.039508 C 5.211647 7.064835 -0.021375 -0.219885 C 6.494333 7.064835 0.500981 0.151431 C 6.906204 8.180450 1.219722 -0.234455 C 6.010383 9.237119 1.385647 0.060698 C 7.448992 5.907739 0.320094 -0.218361 C 7.260708 5.084673 25.789179 -0.217830 C 8.183006 3.894829 25.704212 0.153007 C 7.700528 2.680970 25.240371 -0.224054 C 8.562516 1.578454 25.215522 0.043223 C 10.308558 2.805412 26.075874 0.054710 C 9.514234 3.986523 26.083088 -0.235319 C 4.835078 11.049175 25.040780 0.042850 C 4.905685 11.304610 23.676775 -0.223200 C 3.745090 11.525113 22.946277 0.149188 C 2.537423 11.498914 23.615321 -0.226973 C 2.531539 11.291510 25.023412 0.043406 C 3.770096 11.784914 21.454288 -0.227268 C 3.720083 10.479360 20.691728 -0.222201 C 3.742148 10.614718 19.180769 0.146846 C 3.531799 11.811112 18.519473 -0.219980 C 3.539154 11.850410 17.138368 0.057069 C 3.909838 9.601714 17.017865 0.064842 C 3.939258 9.488187 18.386680 -0.229041 C 2.968417 8.184817 13.517409 0.039495 C 2.143203 7.064835 13.338125 -0.219888 C 0.860517 7.064835 13.860481 0.151437 C 0.448646 8.180450 14.579222 -0.234452 C 1.344467 9.237119 14.745147 0.060688 C 14.615558 5.907739 13.679594 -0.218365 C 0.094142 5.084673 12.429679 -0.217833 C 13.881544 3.894829 12.344712 0.153017 C 14.364022 2.680970 11.880871 -0.224059 C 13.502034 1.578454 11.856022 0.043229 C 11.755992 2.805412 12.716374 0.054706 C 12.550316 3.986523 12.723588 -0.235315 C 2.519772 11.049175 11.681280 0.042841 C 2.449165 11.304610 10.317275 -0.223200 C 3.609760 11.525113 9.586777 0.149201 C 4.817427 11.498914 10.255821 -0.226980 C 4.823311 11.291510 11.663912 0.043413 C 3.584754 11.784914 8.094788 -0.227267 C 3.634767 10.479360 7.332228 -0.222201 C 3.612702 10.614718 5.821269 0.146854 C 3.823051 11.811112 5.159973 -0.219987 C 3.815696 11.850410 3.778868 0.057064 C 3.445012 9.601714 3.658365 0.064838 C 3.415592 9.488187 5.027180 -0.229045 C 11.741283 19.100817 26.561091 0.039491 C 12.566497 17.980835 0.021375 -0.219886 C 13.849183 17.980835 26.218019 0.151433 C 14.261054 19.096450 25.499278 -0.234457 C 13.365233 20.153119 25.333353 0.060692 C 0.094142 16.823739 26.398906 -0.218361 C 14.615558 16.000673 0.929821 -0.217829 C 0.828156 14.810829 1.014788 0.153007 C 0.345678 13.596970 1.478629 -0.224052 C 1.207666 12.494454 1.503478 0.043215 C 2.953708 13.721412 0.643126 0.054706 C 2.159384 14.902523 0.635912 -0.235319 C 12.189928 0.133175 1.678220 0.042845 C 12.260535 0.388610 3.042225 -0.223198 C 11.099940 0.609113 3.772723 0.149198 C 9.892273 0.582914 3.103679 -0.226977 C 9.886389 0.375510 1.695588 0.043414 C 11.124946 0.868914 5.264712 -0.227268 C 11.074933 21.395360 6.027272 -0.222199 C 11.096998 21.530718 7.538231 0.146845 C 10.886649 0.895112 8.199527 -0.219981 C 10.894004 0.934410 9.580632 0.057068 C 11.264688 20.517714 9.701135 0.064842 C 11.294108 20.404187 8.332320 -0.229040 C 11.741283 13.647183 13.201591 0.039495 C 12.566497 14.767165 13.380875 -0.219887 C 13.849183 14.767165 12.858519 0.151437 C 14.261054 13.651550 12.139778 -0.234452 C 13.365233 12.594881 11.973853 0.060688 C 0.094142 15.924261 13.039406 -0.218365 C 14.615558 16.747327 14.289321 -0.217833 C 0.828156 17.937171 14.374288 0.153020 C 0.345678 19.151030 14.838129 -0.224059 C 1.207666 20.253546 14.862978 0.043232 C 2.953708 19.026588 14.002626 0.054707 C 2.159384 17.845477 13.995412 -0.235313 C 12.189928 10.782825 15.037720 0.042840 C 12.260535 10.527390 16.401725 -0.223199 C 11.099940 10.306887 17.132223 0.149201 C 9.892273 10.333086 16.463179 -0.226981 C 9.886389 10.540490 15.055088 0.043413 C 11.124946 10.047086 18.624212 -0.227267 C 11.074933 11.352640 19.386772 -0.222200 C 11.096998 11.217282 20.897731 0.146846 C 10.886649 10.020888 21.559027 -0.219984 C 10.894004 9.981590 22.940132 0.057069 C 11.264688 12.230286 23.060635 0.064843 C 11.294108 12.343813 21.691820 -0.229041 C 2.968417 2.731183 0.157909 0.039506 C 2.143203 3.851165 -0.021375 -0.219886 C 0.860517 3.851165 0.500981 0.151432 C 0.448646 2.735550 1.219722 -0.234455 C 1.344467 1.678881 1.385647 0.060697 C 14.615558 5.008261 0.320094 -0.218362 C 0.094142 5.831327 25.789179 -0.217830 C 13.881544 7.021171 25.704212 0.153007 C 14.364022 8.235030 25.240371 -0.224053 C 13.502034 9.337546 25.215522 0.043224 C 11.755992 8.110588 26.075874 0.054711 C 12.550316 6.929477 26.083088 -0.235320 C 2.519772 21.698825 25.040780 0.042850 C 2.449165 21.443390 23.676775 -0.223199 C 3.609760 21.222887 22.946277 0.149189 C 4.817427 21.249086 23.615321 -0.226973 C 4.823311 21.456490 25.023412 0.043407 C 3.584754 20.963086 21.454288 -0.227267 C 3.634767 0.436640 20.691728 -0.222201 C 3.612702 0.301282 19.180769 0.146849 C 3.823051 20.936888 18.519473 -0.219980 C 3.815696 20.897590 17.138368 0.057070 C 3.445012 1.314286 17.017865 0.064843 C 3.415592 1.427813 18.386680 -0.229040 C 4.386433 2.731183 13.517409 0.039496 C 5.211647 3.851165 13.338125 -0.219888 C 6.494333 3.851165 13.860481 0.151438 C 6.906204 2.735550 14.579222 -0.234452 C 6.010383 1.678881 14.745147 0.060687 C 7.448992 5.008261 13.679594 -0.218365 C 7.260708 5.831327 12.429679 -0.217833 C 8.183006 7.021171 12.344712 0.153016 C 7.700528 8.235030 11.880871 -0.224057 C 8.562516 9.337546 11.856022 0.043227 C 10.308558 8.110588 12.716374 0.054706 C 9.514234 6.929477 12.723588 -0.235316 C 4.835078 21.698825 11.681280 0.042841 C 4.905685 21.443390 10.317275 -0.223200 C 3.745090 21.222887 9.586777 0.149201 C 2.537423 21.249086 10.255821 -0.226980 C 2.531539 21.456490 11.663912 0.043413 C 3.770096 20.963086 8.094788 -0.227268 C 3.720083 0.436640 7.332228 -0.222200 C 3.742148 0.301282 5.821269 0.146851 C 3.531799 20.936888 5.159973 -0.219986 C 3.539154 20.897590 3.778868 0.057064 C 3.909838 1.314286 3.658365 0.064838 C 3.939258 1.427813 5.027180 -0.229044 C 10.323267 13.647183 26.561091 0.039491 C 9.498053 14.767165 0.021375 -0.219885 C 8.215367 14.767165 26.218019 0.151432 C 7.803496 13.651550 25.499278 -0.234457 C 8.699317 12.594881 25.333353 0.060693 C 7.260708 15.924261 26.398906 -0.218361 C 7.448992 16.747327 0.929821 -0.217830 C 6.526694 17.937171 1.014788 0.153006 C 7.009172 19.151030 1.478629 -0.224053 C 6.147184 20.253546 1.503478 0.043214 C 4.401142 19.026588 0.643126 0.054705 C 5.195466 17.845477 0.635912 -0.235318 C 9.874622 10.782825 1.678220 0.042843 C 9.804015 10.527390 3.042225 -0.223200 C 10.964610 10.306887 3.772723 0.149198 C 12.172277 10.333086 3.103679 -0.226978 C 12.178161 10.540490 1.695588 0.043412 C 10.939604 10.047086 5.264712 -0.227269 C 10.989617 11.352640 6.027272 -0.222200 C 10.967552 11.217282 7.538231 0.146844 C 11.177901 10.020888 8.199527 -0.219982 C 11.170546 9.981590 9.580632 0.057066 C 10.799862 12.230286 9.701135 0.064841 C 10.770442 12.343813 8.332320 -0.229042 N 9.924635 20.153556 12.473765 -0.226589 N 4.873324 12.572830 14.464598 -0.224203 N 11.039630 0.156317 14.370280 -0.229302 N 10.983733 21.682669 23.696547 -0.236522 N 4.785065 9.237556 0.885735 -0.226651 N 9.836376 1.656830 25.613902 -0.224211 N 3.670070 11.072317 25.708220 -0.229316 N 3.725967 10.766669 16.381953 -0.236526 N 2.569785 9.237556 14.245235 -0.226592 N 12.228174 1.656830 12.254402 -0.224202 N 3.684780 11.072317 12.348720 -0.229302 N 3.628883 10.766669 3.022453 -0.236479 N 12.139915 20.153556 25.833265 -0.226595 N 2.481526 12.572830 1.105098 -0.224166 N 11.024920 0.156317 1.010780 -0.229302 N 11.080817 21.682669 10.337047 -0.236523 N 12.139915 12.594444 12.473765 -0.226592 N 2.481526 20.175170 14.464598 -0.224200 N 11.024920 10.759683 14.370280 -0.229301 N 11.080817 11.065331 23.696547 -0.236515 N 2.569785 1.678444 0.885735 -0.226652 N 12.228174 9.259170 25.613902 -0.224209 N 3.684780 21.675683 25.708220 -0.229316 N 3.628883 0.149331 16.381953 -0.236522 N 4.785065 1.678444 14.245235 -0.226589 N 9.836376 9.259170 12.254402 -0.224203 N 3.670070 21.675683 12.348720 -0.229301 N 3.725967 0.149331 3.022453 -0.236483 N 9.924635 12.594444 25.833265 -0.226593 N 4.873324 20.175170 1.105098 -0.224168 N 11.039630 10.759683 1.010780 -0.229300 N 10.983733 11.065331 10.337047 -0.236525 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 Cu 11.086113 -0.029255 12.354598 0.293029 115.994468 0.17063277E+04 0.53210478E+05 20.639151 14.426534 0.780320 2.060236 0.994394 52.616095 143.511983 0.429416 0.457396 -1.103077 0.003883 0.000166 -0.000661 0.003942 -0.086874 0.007716 -0.007631 0.074443 -0.205015 -0.069407 -0.059847 0.129254 28.835858 21.240012 13.892610 -1.122251 29.022249 0.870495 36.245314 0.006338 2 Cu 3.623587 10.886745 1.004634 0.293032 115.995595 0.17063595E+04 0.53211808E+05 20.639411 14.426742 0.779929 2.060121 0.994386 52.616507 143.514347 0.429409 0.457401 -1.103073 -0.003878 0.000110 0.000697 0.003942 0.086895 0.007745 0.007584 0.074444 -0.205431 -0.069511 -0.059831 0.129343 28.836141 21.240826 -13.893240 -1.122199 29.023060 -0.870797 36.244538 0.006347 3 Cu 3.731263 10.886745 14.364402 0.293036 115.992484 0.17062961E+04 0.53209228E+05 20.638916 14.426394 0.780327 2.060242 0.994394 52.615676 143.510323 0.429419 0.457396 -1.103078 0.003882 0.000165 0.000661 0.003942 -0.086883 -0.007717 0.007632 0.074449 -0.205035 -0.069414 -0.059854 0.129268 28.835484 21.239750 13.892415 1.122238 29.021874 -0.870471 36.244829 0.006353 4 Cu 10.978437 -0.029255 25.714098 0.293031 115.992858 0.17062987E+04 0.53209307E+05 20.638906 14.426363 0.780350 2.060246 0.994394 52.615879 143.510672 0.429421 0.457393 -1.103080 -0.003886 0.000163 -0.000661 0.003946 0.086887 -0.007717 -0.007633 0.074453 -0.205043 -0.069417 -0.059856 0.129273 28.835517 21.239854 -13.892554 1.122223 29.022062 0.870510 36.244635 0.006339 5 Cu 10.978437 10.945255 12.354598 0.293036 115.993961 0.17063163E+04 0.53210026E+05 20.639085 14.426478 0.780333 2.060241 0.994394 52.615957 143.511404 0.429418 0.457396 -1.103078 -0.003882 -0.000166 -0.000661 0.003942 -0.086874 -0.007716 0.007631 0.074442 -0.205016 -0.069408 -0.059847 0.129254 28.835790 21.239931 13.892559 1.122245 29.022157 -0.870497 36.245282 0.006340 6 Cu 3.731263 0.029255 1.004634 0.293041 115.995913 0.17063625E+04 0.53211924E+05 20.639440 14.426748 0.779935 2.060123 0.994385 52.616554 143.514496 0.429409 0.457401 -1.103073 0.003877 -0.000111 0.000697 0.003941 0.086891 -0.007745 -0.007584 0.074443 -0.205424 -0.069509 -0.059829 0.129338 28.836209 21.240882 -13.893298 1.122203 29.023138 0.870792 36.244606 0.006337 7 Cu 3.623587 0.029255 14.364402 0.293028 115.993503 0.17063129E+04 0.53209899E+05 20.639055 14.426483 0.780309 2.060235 0.994394 52.615849 143.511152 0.429417 0.457397 -1.103077 -0.003883 -0.000165 0.000660 0.003942 -0.086883 0.007717 -0.007632 0.074449 -0.205034 -0.069413 -0.059854 0.129267 28.835694 21.239899 13.892529 -1.122243 29.022101 0.870480 36.245082 0.006341 8 Cu 11.086113 10.945255 25.714098 0.293022 115.992549 0.17062919E+04 0.53209046E+05 20.638891 14.426350 0.780338 2.060243 0.994394 52.615735 143.510266 0.429421 0.457394 -1.103079 0.003887 -0.000163 -0.000661 0.003946 0.086898 0.007718 0.007634 0.074457 -0.205067 -0.069425 -0.059863 0.129288 28.835513 21.239800 -13.892506 -1.122217 29.022014 -0.870526 36.244726 0.006352 9 H 11.252920 19.103000 13.626690 0.069793 1.747478 0.13844217E+02 0.15534006E+03 2.345221 2.130121 -1.453861 2.147185 0.994538 4.338832 12.838411 0.444140 1.229055 -0.718634 0.042506 -0.001772 0.026876 0.050321 0.000758 0.017283 -0.014660 0.004969 -0.021800 -0.025346 0.003831 0.021515 2.481850 3.392798 0.073350 0.633679 2.058318 0.017995 1.994434 0.002539 10 H 9.826080 17.181784 13.893880 0.109293 1.488098 0.11553297E+02 0.12362905E+03 2.104861 1.948870 -1.216373 2.275513 0.996185 3.865750 11.090131 0.464302 1.232795 -0.719677 0.011294 -0.028244 0.018202 0.035449 0.001660 0.014918 -0.011463 0.000280 -0.027538 -0.022860 0.006142 0.016719 2.195116 2.057149 -0.171887 0.127062 2.755959 -0.520737 1.772239 -0.000003 11 H 6.869430 19.124832 11.729641 0.106477 1.779799 0.14472694E+02 0.16397756E+03 2.372014 2.181439 -1.460365 2.150739 0.993548 4.197529 12.424573 0.438433 1.233014 -0.719049 -0.033031 -0.004026 -0.015981 0.036914 0.009190 0.012579 -0.010027 0.002764 -0.047081 -0.026053 0.008470 0.017584 2.480214 3.347263 -0.127005 0.551235 2.098459 -0.194509 1.994919 0.002456 12 H 8.369819 20.958720 11.489170 0.073649 1.604625 0.12802629E+02 0.14152450E+03 2.267922 2.092185 -1.377051 2.201056 0.993836 4.188137 12.487708 0.432157 1.282131 -0.707795 -0.021021 0.036723 -0.023703 0.048501 -0.005714 0.011406 -0.013081 0.004324 -0.035010 -0.021108 0.000234 0.020874 2.364632 2.220896 -0.298994 0.222376 2.746264 -0.628413 2.126734 0.000543 13 H 7.340140 16.199344 12.237302 0.110586 1.508179 0.13152570E+02 0.14432739E+03 2.107101 2.068811 -0.891368 2.432225 0.998565 3.684998 10.454516 0.457410 1.220288 -0.726770 0.009796 -0.020441 -0.017730 0.028777 -0.006337 -0.003316 0.000844 -0.008603 0.017850 -0.011021 0.003095 0.007926 2.120158 1.775901 0.066851 -0.101190 2.389327 0.426309 2.195246 0.002824 14 H 6.310461 17.181784 13.038872 0.101064 1.319039 0.10606720E+02 0.11176146E+03 1.997404 1.905016 -1.124116 2.324736 0.996279 3.873105 11.241650 0.453052 1.283061 -0.708306 -0.025314 0.011974 0.008429 0.029245 -0.006111 -0.002481 -0.005899 0.009465 -0.006047 -0.011179 0.002425 0.008754 2.068789 2.645311 -0.150875 -0.126981 2.015460 -0.141877 1.545596 0.000643 15 H 7.296011 16.592320 15.122954 0.104101 1.647720 0.14603956E+02 0.16416541E+03 2.223318 2.170990 -0.880387 2.427401 0.998672 3.769154 10.750622 0.450214 1.210253 -0.729769 -0.010272 0.015886 0.018911 0.026749 -0.005448 -0.002999 -0.002519 -0.003581 0.017507 -0.009639 0.002799 0.006840 2.236590 1.887110 0.016303 -0.160952 2.411904 0.479091 2.410757 0.002215 16 H 8.413948 15.697208 14.348103 0.098797 1.345551 0.10771908E+02 0.11338567E+03 1.987718 1.891748 -1.023931 2.367647 0.997217 3.808221 10.872626 0.467063 1.245848 -0.717034 0.026837 -0.008951 -0.005519 0.028824 -0.004144 0.000063 -0.006446 0.010769 -0.005285 -0.010351 0.002063 0.008288 2.057893 2.646339 -0.079872 -0.069308 1.993771 -0.131649 1.533570 0.000137 17 H 7.972657 13.514008 15.149673 0.111041 1.731758 0.13937170E+02 0.15629163E+03 2.333343 2.145445 -1.326123 2.220602 0.994804 4.050391 11.893392 0.441015 1.238487 -0.718883 0.033848 -0.000778 0.014032 0.036650 0.003944 0.011294 -0.004491 0.005318 -0.054661 -0.023033 0.006884 0.016149 2.442329 3.364442 -0.179957 0.404279 2.104595 -0.147796 1.857951 0.001029 18 H 6.516397 11.592792 15.149673 0.070701 1.714068 0.13779476E+02 0.15507232E+03 2.356790 2.158287 -1.420986 2.167421 0.994005 4.356540 13.085437 0.429326 1.267701 -0.710151 0.021940 -0.043048 0.014858 0.050550 -0.007764 0.011029 -0.011058 -0.002937 -0.062510 -0.026325 0.002570 0.023755 2.475935 2.362788 -0.490480 0.180800 3.108431 -0.442119 1.956588 0.001379 19 H 3.442070 13.775992 13.653409 0.072376 1.698437 0.13459189E+02 0.15053551E+03 2.338314 2.128781 -1.450084 2.154210 0.994324 4.341733 12.988248 0.433722 1.262625 -0.711073 -0.043466 0.005298 -0.022685 0.049315 -0.003769 0.013623 -0.008774 0.003678 -0.039739 -0.021398 0.002430 0.018967 2.469682 3.410256 -0.048527 0.551191 2.070116 0.002311 1.928674 0.001280 20 H 4.795362 15.784536 13.706847 0.110301 1.439674 0.11000020E+02 0.11732640E+03 2.122072 1.946846 -1.271015 2.249226 0.995149 4.033536 11.897988 0.444429 1.292114 -0.704886 -0.012918 0.032038 -0.009935 0.035944 -0.001349 0.014725 -0.007585 -0.005106 -0.060538 -0.027580 0.009596 0.017985 2.238077 2.175932 -0.385649 0.076749 2.946890 -0.320116 1.591408 0.001016 21 H 9.031756 21.788336 14.535136 0.076893 1.587124 0.12390996E+02 0.13659739E+03 2.286994 2.081974 -1.514112 2.138978 0.991524 4.338089 13.147546 0.423540 1.311825 -0.699954 -0.042487 -0.011384 -0.019954 0.048300 0.006049 -0.001010 0.007290 0.038277 0.009051 -0.023614 0.005049 0.018564 2.431311 3.051278 0.183876 0.699431 1.882614 0.279290 2.360042 0.001933 22 H 8.899368 0.392976 16.859689 0.111495 1.563152 0.12605413E+02 0.13775129E+03 2.181809 2.044832 -1.208378 2.286620 0.996995 3.853318 11.142769 0.450586 1.243911 -0.718624 -0.032423 -0.000686 0.015564 0.035972 0.002055 0.000050 0.004264 0.040932 0.037069 -0.027205 0.012772 0.014433 2.235991 2.874451 -0.090060 -0.370680 1.621648 0.001288 2.211874 0.001187 23 H 13.047504 0.742288 16.966565 0.113585 1.656982 0.13611395E+02 0.15107488E+03 2.239446 2.103894 -1.209026 2.276696 0.996642 3.870700 11.146664 0.452522 1.219485 -0.724837 0.031383 0.007170 0.018801 0.037280 0.003712 -0.000624 0.006191 0.040642 0.036582 -0.027724 0.013161 0.014563 2.286909 2.857517 0.123621 0.437108 1.692329 0.104890 2.310880 0.000952 24 H 13.062214 0.371144 14.561855 0.075010 1.638618 0.12858832E+02 0.14300583E+03 2.328728 2.113842 -1.528683 2.124863 0.992043 4.420986 13.436768 0.422648 1.303091 -0.701460 0.044814 0.002660 -0.019935 0.049120 0.003987 0.001893 0.002730 0.036090 0.010645 -0.020517 0.003456 0.017062 2.483426 3.218933 -0.066595 -0.723681 1.835958 -0.082324 2.395387 0.002173 25 H 11.723631 1.440912 18.890333 0.106942 1.417974 0.11760045E+02 0.12544403E+03 2.010888 1.944128 -0.968133 2.400622 0.997635 3.625615 10.130260 0.476423 1.205236 -0.729275 0.027187 0.009613 0.007447 0.029783 0.004366 0.003204 -0.002919 0.000199 -0.014671 -0.007984 0.001165 0.006819 2.038088 2.084802 0.377526 0.167622 1.843091 0.147314 2.186373 0.000338 26 H 10.090854 1.353584 18.863614 0.108217 1.552563 0.13289417E+02 0.14634269E+03 2.161288 2.090069 -0.954883 2.407663 0.997550 3.685232 10.505382 0.451226 1.232670 -0.724266 -0.027279 0.005344 0.005329 0.028304 -0.000811 -0.002142 -0.003631 0.004061 -0.013488 -0.006928 0.002155 0.004774 2.183316 2.389875 -0.448700 -0.162010 1.929327 0.117217 2.230746 0.000822 27 H 11.841308 20.915056 19.130804 0.109399 1.548927 0.13499345E+02 0.14950894E+03 2.167895 2.113183 -0.974762 2.396060 0.997797 3.755068 10.798974 0.445819 1.240489 -0.721811 0.027557 -0.004036 -0.004301 0.028181 -0.000697 0.000723 -0.005859 0.006349 -0.018405 -0.009714 0.003162 0.006552 2.185133 2.420837 -0.423567 -0.334249 1.898098 0.075629 2.236463 0.003559 28 H 10.208532 20.827728 19.104085 0.109623 1.493862 0.12876809E+02 0.14102018E+03 2.117331 2.064877 -0.992110 2.390752 0.997583 3.723235 10.667031 0.450424 1.241685 -0.721231 -0.027497 -0.007081 -0.006166 0.029055 0.003145 0.002153 -0.005476 0.006941 -0.014467 -0.009568 0.002473 0.007095 2.131678 2.233441 0.397672 0.313827 1.923606 0.083365 2.237987 0.001615 29 H 11.341179 1.746560 21.001134 0.109074 1.751424 0.14388936E+02 0.16119772E+03 2.282575 2.128820 -1.354080 2.207823 0.996247 3.909992 11.144179 0.462909 1.181083 -0.734015 0.004675 0.030899 -0.020569 0.037412 0.005591 -0.001155 -0.000512 -0.043392 0.017051 -0.025285 0.005691 0.019594 2.346379 1.689418 0.155090 -0.097465 2.482635 -0.537387 2.867085 0.000198 30 H 11.311759 1.833888 23.405844 0.071236 2.124043 0.17686239E+02 0.21062776E+03 2.684241 2.422793 -1.481411 2.138643 0.994120 4.432599 13.438652 0.413236 1.244596 -0.717579 0.002697 0.047593 0.018856 0.051263 0.004109 0.001375 -0.002556 -0.045072 0.011750 -0.024955 0.003667 0.021288 2.833510 2.026095 0.104039 -0.026640 3.451932 1.008317 3.022502 0.002537 31 H 10.649823 19.670632 23.619596 0.073812 2.049195 0.16902843E+02 0.19835578E+03 2.590103 2.346464 -1.445444 2.158778 0.994397 4.295270 12.784053 0.427289 1.221517 -0.723400 -0.005561 -0.046800 0.023462 0.052647 0.005774 -0.000844 -0.000978 -0.044689 0.002510 -0.023518 0.000805 0.022713 2.732983 1.990575 0.131321 -0.001224 3.193265 -0.976601 3.015109 0.001598 32 H 10.605694 19.495976 21.241605 0.111911 1.905210 0.16156488E+02 0.18647211E+03 2.452266 2.292934 -1.260781 2.258773 0.996628 3.882438 11.261901 0.434882 1.220302 -0.727447 -0.004610 -0.031598 -0.017372 0.036352 0.007280 -0.001039 -0.000369 -0.042271 0.037566 -0.028638 0.012466 0.016172 2.473767 1.850408 0.222017 0.109808 3.060904 0.519162 2.509990 0.001085 33 H 3.456779 8.187000 26.451810 0.069795 1.747429 0.13843761E+02 0.15533355E+03 2.345173 2.130083 -1.453765 2.147225 0.994540 4.338768 12.838138 0.444145 1.229052 -0.718635 -0.042508 -0.001770 -0.026876 0.050323 -0.000759 0.017284 0.014662 0.004972 -0.021803 -0.025348 0.003832 0.021516 2.481797 3.392720 -0.073351 0.633654 2.058288 -0.017998 1.994385 0.002597 34 H 4.883620 6.265784 26.184620 0.109296 1.488105 0.11553353E+02 0.12362976E+03 2.104863 1.948871 -1.216390 2.275507 0.996185 3.865755 11.090139 0.464303 1.232791 -0.719678 -0.011294 -0.028245 -0.018202 0.035449 -0.001660 0.014918 0.011463 0.000280 -0.027537 -0.022860 0.006141 0.016719 2.195117 2.057151 0.171889 0.127063 2.755963 0.520736 1.772237 0.000046 35 H 7.840270 8.208832 1.629859 0.106478 1.779923 0.14473924E+02 0.16399553E+03 2.372154 2.181553 -1.460420 2.150708 0.993548 4.197702 12.425374 0.438414 1.233038 -0.719043 0.033033 -0.004027 0.015978 0.036914 -0.009190 0.012579 0.010030 0.002765 -0.047090 -0.026057 0.008472 0.017585 2.480370 3.347506 0.127014 0.551294 2.098574 0.194525 1.995030 0.002518 36 H 6.339881 10.042720 1.870330 0.073648 1.604588 0.12802302E+02 0.14151999E+03 2.267890 2.092162 -1.377048 2.201062 0.993835 4.188082 12.487504 0.432158 1.282135 -0.707794 0.021021 0.036728 0.023702 0.048503 0.005715 0.011407 0.013082 0.004312 -0.035020 -0.021110 0.000234 0.020877 2.364594 2.220864 0.298985 0.222374 2.746202 0.628389 2.126716 0.000585 37 H 7.369560 5.283344 1.122198 0.110581 1.508244 0.13153325E+02 0.14433794E+03 2.107176 2.068881 -0.891404 2.432204 0.998565 3.685080 10.454879 0.457398 1.220301 -0.726767 -0.009798 -0.020440 0.017728 0.028777 0.006339 -0.003319 -0.000844 -0.008604 0.017838 -0.011021 0.003095 0.007927 2.120235 1.775958 -0.066859 -0.101194 2.389421 -0.426331 2.195326 0.002909 38 H 8.399239 6.265784 0.320628 0.101067 1.319008 0.10606411E+02 0.11175752E+03 1.997382 1.904997 -1.124087 2.324753 0.996279 3.873069 11.241549 0.453050 1.283073 -0.708303 0.025315 0.011975 -0.008429 0.029246 0.006112 -0.002482 0.005898 0.009463 -0.006050 -0.011179 0.002425 0.008754 2.068766 2.645278 0.150872 -0.126981 2.015439 0.141874 1.545582 0.000681 39 H 7.413689 5.676320 24.955546 0.104098 1.647710 0.14603791E+02 0.16416249E+03 2.223265 2.170941 -0.880423 2.427379 0.998672 3.769168 10.750497 0.450232 1.210213 -0.729778 0.010274 0.015886 -0.018911 0.026750 0.005450 -0.003001 0.002518 -0.003581 0.017509 -0.009642 0.002801 0.006841 2.236536 1.887069 -0.016302 -0.160945 2.411842 -0.479074 2.410696 0.002340 40 H 6.295752 4.781208 25.730397 0.098800 1.345541 0.10771813E+02 0.11338445E+03 1.987710 1.891741 -1.023924 2.367652 0.997217 3.808206 10.872583 0.467063 1.245851 -0.717033 -0.026838 -0.008952 0.005519 0.028825 0.004144 0.000063 0.006446 0.010768 -0.005285 -0.010351 0.002063 0.008288 2.057885 2.646328 0.079869 -0.069305 1.993763 0.131649 1.533564 0.000174 41 H 6.737043 2.598008 24.928827 0.111044 1.731775 0.13937345E+02 0.15629422E+03 2.333366 2.145464 -1.326161 2.220586 0.994804 4.050414 11.893517 0.441011 1.238494 -0.718881 -0.033850 -0.000777 -0.014031 0.036651 -0.003944 0.011294 0.004491 0.005318 -0.054658 -0.023031 0.006883 0.016149 2.442355 3.364484 0.179961 0.404286 2.104615 0.147798 1.857966 0.001075 42 H 8.193303 0.676792 24.928827 0.070699 1.714151 0.13780290E+02 0.15508386E+03 2.356865 2.158350 -1.421058 2.167383 0.994004 4.356667 13.085942 0.429320 1.267700 -0.710151 -0.021940 -0.043051 -0.014857 0.050552 0.007765 0.011031 0.011059 -0.002939 -0.062525 -0.026331 0.002572 0.023759 2.476018 2.362869 0.490505 0.180810 3.108543 0.442141 1.956644 0.001418 43 H 11.267630 2.859992 26.425091 0.072379 1.698451 0.13459329E+02 0.15053760E+03 2.338334 2.128797 -1.450125 2.154193 0.994324 4.341766 12.988408 0.433719 1.262631 -0.711072 0.043468 0.005298 0.022684 0.049316 0.003770 0.013622 0.008775 0.003681 -0.039745 -0.021398 0.002430 0.018968 2.469704 3.410290 0.048525 0.551197 2.070134 -0.002312 1.928688 0.001322 44 H 9.914338 4.868536 26.371653 0.110303 1.439752 0.11000773E+02 0.11733684E+03 2.122172 1.946930 -1.271098 2.249185 0.995148 4.033698 11.898719 0.444412 1.292137 -0.704881 0.012918 0.032039 0.009935 0.035946 0.001348 0.014728 0.007586 -0.005105 -0.060551 -0.027586 0.009599 0.017987 2.238188 2.176041 0.385678 0.076754 2.947052 0.320137 1.591471 0.001065 45 H 5.677944 10.872336 25.543364 0.076894 1.587113 0.12390989E+02 0.13659736E+03 2.286986 2.081976 -1.514151 2.138962 0.991523 4.338105 13.147618 0.423539 1.311827 -0.699954 0.042488 -0.011386 0.019956 0.048303 -0.006051 -0.001010 -0.007290 0.038278 0.009049 -0.023614 0.005049 0.018566 2.431298 3.051262 -0.183870 0.699407 1.882610 -0.279284 2.360022 0.001975 46 H 5.810331 11.308976 23.218811 0.111494 1.563142 0.12605275E+02 0.13774914E+03 2.181782 2.044807 -1.208402 2.286609 0.996995 3.853296 11.142612 0.450595 1.243895 -0.718628 0.032424 -0.000686 -0.015566 0.035974 -0.002057 0.000050 -0.004264 0.040934 0.037067 -0.027206 0.012771 0.014435 2.235964 2.874407 0.090059 -0.370677 1.621631 -0.001290 2.211853 0.001236 47 H 1.662196 11.658288 23.111935 0.113584 1.656956 0.13611103E+02 0.15107076E+03 2.239419 2.103869 -1.209038 2.276694 0.996642 3.870663 11.146505 0.452526 1.219482 -0.724837 -0.031384 0.007170 -0.018802 0.037281 -0.003712 -0.000624 -0.006190 0.040643 0.036580 -0.027724 0.013160 0.014564 2.286882 2.857475 -0.123619 0.437104 1.692312 -0.104891 2.310859 0.001010 48 H 1.647486 11.287144 25.516645 0.075009 1.638671 0.12859422E+02 0.14301397E+03 2.328768 2.113882 -1.528758 2.124822 0.992042 4.421088 13.437132 0.422647 1.303080 -0.701461 -0.044815 0.002659 0.019936 0.049121 -0.003990 0.001895 -0.002733 0.036097 0.010649 -0.020522 0.003457 0.017065 2.483467 3.218997 0.066595 -0.723678 1.835989 0.082323 2.395417 0.002220 49 H 2.986069 12.356912 21.188167 0.106940 1.418052 0.11760906E+02 0.12545617E+03 2.011013 1.944241 -0.968151 2.400613 0.997635 3.625707 10.130811 0.476392 1.205288 -0.729264 -0.027187 0.009612 -0.007446 0.029782 -0.004364 0.003204 0.002920 0.000202 -0.014666 -0.007982 0.001166 0.006816 2.038220 2.084937 -0.377562 0.167641 1.843195 -0.147329 2.186527 0.000363 50 H 4.618846 12.269584 21.214886 0.108215 1.552670 0.13290626E+02 0.14636009E+03 2.161445 2.090212 -0.954894 2.407657 0.997550 3.685326 10.505976 0.451193 1.232726 -0.724254 0.027279 0.005343 -0.005328 0.028303 0.000808 -0.002140 0.003633 0.004065 -0.013482 -0.006927 0.002153 0.004774 2.183480 2.390061 0.448752 -0.162030 1.929456 -0.117230 2.230922 0.000847 51 H 2.868391 9.999056 20.947696 0.109400 1.548914 0.13499192E+02 0.14950667E+03 2.167873 2.113163 -0.974764 2.396059 0.997797 3.755050 10.798865 0.445824 1.240479 -0.721814 -0.027557 -0.004035 0.004302 0.028181 0.000697 0.000722 0.005859 0.006352 -0.018405 -0.009714 0.003161 0.006553 2.185109 2.420805 0.423562 -0.334242 1.898083 -0.075628 2.236440 0.003608 52 H 4.501168 9.911728 20.974415 0.109623 1.493817 0.12876277E+02 0.14101250E+03 2.117260 2.064812 -0.992099 2.390758 0.997583 3.723175 10.666688 0.450440 1.241658 -0.721237 0.027497 -0.007081 0.006167 0.029056 -0.003148 0.002154 0.005475 0.006940 -0.014472 -0.009568 0.002471 0.007097 2.131606 2.233362 -0.397652 0.313810 1.923548 -0.083361 2.237907 0.001665 53 H 3.368521 12.662560 19.077366 0.109073 1.751536 0.14390121E+02 0.16121529E+03 2.282739 2.128960 -1.354088 2.207819 0.996247 3.910100 11.144857 0.462874 1.181141 -0.734002 -0.004675 0.030898 0.020569 0.037411 -0.005590 -0.001156 0.000511 -0.043391 0.017057 -0.025284 0.005693 0.019592 2.346556 1.689515 -0.155107 -0.097475 2.482819 0.537450 2.867333 0.000168 54 H 3.397941 12.749888 16.672656 0.071238 2.124102 0.17686868E+02 0.21063791E+03 2.684332 2.422867 -1.481412 2.138641 0.994120 4.432681 13.439149 0.413220 1.244628 -0.717572 -0.002695 0.047592 -0.018855 0.051262 -0.004106 0.001374 0.002556 -0.045075 0.011755 -0.024957 0.003668 0.021288 2.833610 2.026152 -0.104043 -0.026642 3.452059 -1.008368 3.022620 0.002480 55 H 4.059877 8.754632 16.458904 0.073815 2.049292 0.16903836E+02 0.19837127E+03 2.590235 2.346570 -1.445446 2.158775 0.994397 4.295394 12.784741 0.427267 1.221555 -0.723391 0.005559 -0.046800 -0.023461 0.052645 -0.005773 -0.000843 0.000977 -0.044689 0.002514 -0.023518 0.000806 0.022712 2.733131 1.990660 -0.131331 -0.001223 3.193450 0.976681 3.015282 0.001542 56 H 4.104006 8.579976 18.836895 0.111910 1.905195 0.16156310E+02 0.18646918E+03 2.452228 2.292901 -1.260780 2.258773 0.996628 3.882440 11.261809 0.434892 1.220280 -0.727452 0.004611 -0.031597 0.017373 0.036352 -0.007283 -0.001037 0.000367 -0.042268 0.037567 -0.028637 0.012467 0.016171 2.473726 1.850383 -0.222012 0.109805 3.060847 -0.519148 2.509949 0.001088 57 H 3.898070 8.187000 13.092310 0.069794 1.747479 0.13844239E+02 0.15534039E+03 2.345224 2.130124 -1.453858 2.147185 0.994538 4.338841 12.838452 0.444139 1.229056 -0.718633 0.042507 -0.001772 -0.026875 0.050321 0.000758 -0.017283 0.014661 0.004969 -0.021803 -0.025347 0.003832 0.021515 2.481854 3.392804 0.073351 -0.633679 2.058321 -0.017995 1.994436 0.002548 58 H 2.471230 6.265784 12.825120 0.109292 1.488108 0.11553404E+02 0.12363062E+03 2.104882 1.948887 -1.216374 2.275513 0.996185 3.865770 11.090252 0.464296 1.232806 -0.719674 0.011294 -0.028245 -0.018202 0.035449 0.001660 -0.014918 0.011463 0.000279 -0.027539 -0.022860 0.006142 0.016719 2.195138 2.057171 -0.171889 -0.127064 2.755989 0.520745 1.772254 -0.000000 59 H 14.224280 8.208832 14.989359 0.106476 1.779821 0.14472911E+02 0.16398066E+03 2.372034 2.181455 -1.460376 2.150732 0.993548 4.197560 12.424695 0.438431 1.233014 -0.719049 -0.033031 -0.004026 0.015981 0.036914 0.009190 -0.012579 0.010028 0.002764 -0.047082 -0.026054 0.008470 0.017584 2.480235 3.347296 -0.127008 -0.551243 2.098475 0.194512 1.994935 0.002462 60 H 1.014969 10.042720 15.229830 0.073649 1.604613 0.12802513E+02 0.14152285E+03 2.267910 2.092175 -1.377040 2.201062 0.993836 4.188114 12.487611 0.432158 1.282130 -0.707795 -0.021021 0.036723 0.023704 0.048501 -0.005714 -0.011406 0.013081 0.004323 -0.035009 -0.021108 0.000234 0.020874 2.364618 2.220884 -0.298992 -0.222374 2.746248 0.628408 2.126723 0.000546 61 H -0.014710 5.283344 14.481698 0.110586 1.508181 0.13152590E+02 0.14432765E+03 2.107102 2.068812 -0.891370 2.432224 0.998565 3.685002 10.454526 0.457410 1.220287 -0.726771 0.009796 -0.020440 0.017730 0.028777 -0.006337 0.003316 -0.000844 -0.008604 0.017850 -0.011021 0.003095 0.007926 2.120158 1.775902 0.066851 0.101190 2.389326 -0.426308 2.195247 0.002822 62 H 13.665311 6.265784 13.680128 0.101064 1.319039 0.10606725E+02 0.11176157E+03 1.997407 1.905019 -1.124117 2.324735 0.996279 3.873112 11.241686 0.453050 1.283064 -0.708305 -0.025314 0.011974 -0.008429 0.029245 -0.006111 0.002481 0.005899 0.009465 -0.006047 -0.011179 0.002425 0.008754 2.068792 2.645316 -0.150874 0.126981 2.015463 0.141878 1.545599 0.000645 63 H 14.650861 5.676320 11.596046 0.104102 1.647744 0.14604229E+02 0.16416927E+03 2.223337 2.171009 -0.880405 2.427391 0.998672 3.769190 10.750755 0.450212 1.210252 -0.729770 -0.010272 0.015886 -0.018911 0.026749 -0.005448 0.002999 0.002519 -0.003581 0.017507 -0.009640 0.002799 0.006841 2.236611 1.887126 0.016304 0.160954 2.411928 -0.479097 2.410779 0.002224 64 H 1.059098 4.781208 12.370897 0.098798 1.345554 0.10771946E+02 0.11338631E+03 1.987731 1.891759 -1.023933 2.367647 0.997217 3.808234 10.872719 0.467058 1.245859 -0.717031 0.026838 -0.008951 0.005519 0.028824 -0.004144 -0.000063 0.006446 0.010769 -0.005286 -0.010351 0.002063 0.008288 2.057908 2.646359 -0.079871 0.069310 1.993785 0.131651 1.533578 0.000137 65 H 0.617807 2.598008 11.569327 0.111042 1.731772 0.13937322E+02 0.15629394E+03 2.333367 2.145465 -1.326130 2.220599 0.994804 4.050414 11.893528 0.441010 1.238497 -0.718880 0.033849 -0.000778 -0.014032 0.036650 0.003944 -0.011294 0.004491 0.005317 -0.054663 -0.023033 0.006884 0.016149 2.442355 3.364483 -0.179959 -0.404284 2.104616 0.147798 1.857968 0.001025 66 H 13.871247 0.676792 11.569327 0.070700 1.714101 0.13779802E+02 0.15507698E+03 2.356822 2.158314 -1.421014 2.167407 0.994004 4.356595 13.085665 0.429323 1.267703 -0.710150 0.021941 -0.043049 -0.014857 0.050550 -0.007765 -0.011029 0.011058 -0.002936 -0.062514 -0.026326 0.002570 0.023756 2.475971 2.362821 -0.490490 -0.180804 3.108480 0.442128 1.956612 0.001371 67 H 10.796920 2.859992 13.065591 0.072376 1.698464 0.13459454E+02 0.15053931E+03 2.338343 2.128805 -1.450110 2.154197 0.994324 4.341782 12.988459 0.433719 1.262628 -0.711072 -0.043466 0.005298 0.022685 0.049315 -0.003769 -0.013624 0.008774 0.003678 -0.039740 -0.021399 0.002430 0.018968 2.469714 3.410305 -0.048527 -0.551201 2.070141 -0.002311 1.928696 0.001277 68 H 12.150212 4.868536 13.012153 0.110302 1.439695 0.11000219E+02 0.11732917E+03 2.122100 1.946869 -1.271037 2.249215 0.995149 4.033580 11.898190 0.444425 1.292121 -0.704885 -0.012918 0.032038 0.009935 0.035945 -0.001349 -0.014726 0.007585 -0.005106 -0.060541 -0.027582 0.009596 0.017986 2.238107 2.175962 -0.385657 -0.076750 2.946935 0.320122 1.591426 0.001017 69 H 1.676906 10.872336 12.183864 0.076894 1.587125 0.12391008E+02 0.13659758E+03 2.286997 2.081977 -1.514117 2.138976 0.991524 4.338096 13.147582 0.423539 1.311826 -0.699954 -0.042487 -0.011384 0.019955 0.048301 0.006049 0.001010 -0.007290 0.038278 0.009052 -0.023614 0.005050 0.018564 2.431314 3.051283 0.183876 -0.699432 1.882616 -0.279290 2.360044 0.001938 70 H 1.544518 11.308976 9.859311 0.111496 1.563170 0.12605601E+02 0.13775391E+03 2.181828 2.044849 -1.208394 2.286612 0.996995 3.853347 11.142892 0.450584 1.243914 -0.718623 -0.032423 -0.000686 -0.015565 0.035972 0.002055 -0.000050 -0.004264 0.040934 0.037071 -0.027206 0.012772 0.014434 2.236012 2.874481 -0.090061 0.370684 1.621661 -0.001288 2.211893 0.001196 71 H 5.692654 11.658288 9.752435 0.113586 1.657002 0.13611613E+02 0.15107804E+03 2.239471 2.103916 -1.209037 2.276691 0.996642 3.870730 11.146807 0.452518 1.219491 -0.724835 0.031383 0.007170 -0.018801 0.037280 0.003712 0.000624 -0.006191 0.040643 0.036583 -0.027725 0.013162 0.014563 2.286935 2.857554 0.123623 -0.437115 1.692346 -0.104892 2.310905 0.000964 72 H 5.707364 11.287144 12.157145 0.075012 1.638633 0.12858984E+02 0.14300796E+03 2.328742 2.113853 -1.528693 2.124856 0.992043 4.421014 13.436877 0.422647 1.303090 -0.701460 0.044814 0.002660 0.019935 0.049120 0.003988 -0.001894 -0.002730 0.036092 0.010647 -0.020519 0.003456 0.017062 2.483441 3.218955 -0.066596 0.723687 1.835968 0.082324 2.395401 0.002181 73 H 4.368781 12.356912 7.828667 0.106942 1.417973 0.11760034E+02 0.12544391E+03 2.010889 1.944130 -0.968134 2.400622 0.997635 3.625611 10.130257 0.476422 1.205239 -0.729275 0.027187 0.009613 -0.007447 0.029783 0.004365 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0.16121539E+03 2.282737 2.128959 -1.354092 2.207818 0.996247 3.910105 11.144867 0.462874 1.181139 -0.734002 -0.004675 0.030898 -0.020569 0.037412 -0.005590 0.001156 -0.000511 -0.043392 0.017056 -0.025285 0.005693 0.019592 2.346554 1.689515 -0.155106 0.097475 2.482816 -0.537448 2.867331 0.000170 102 H 10.752791 1.833888 10.046344 0.071238 2.124163 0.17687490E+02 0.21064745E+03 2.684395 2.422918 -1.481442 2.138626 0.994120 4.432760 13.439513 0.413213 1.244636 -0.717570 -0.002695 0.047592 0.018855 0.051262 -0.004106 -0.001374 -0.002556 -0.045077 0.011756 -0.024958 0.003669 0.021289 2.833681 2.026192 -0.104046 0.026644 3.452151 1.008406 3.022700 0.002477 103 H 11.414727 19.670632 10.260096 0.073814 2.049319 0.16904120E+02 0.19837562E+03 2.590267 2.346597 -1.445460 2.158769 0.994396 4.295430 12.784921 0.427262 1.221563 -0.723389 0.005560 -0.046800 0.023461 0.052646 -0.005773 0.000842 -0.000978 -0.044690 0.002513 -0.023519 0.000806 0.022713 2.733167 1.990682 -0.131332 0.001223 3.193493 -0.976699 3.015326 0.001533 104 H 11.458856 19.495976 7.882105 0.111910 1.905281 0.16157234E+02 0.18648303E+03 2.452336 2.292995 -1.260792 2.258768 0.996628 3.882503 11.262194 0.434874 1.220310 -0.727445 0.004611 -0.031597 -0.017373 0.036352 -0.007283 0.001038 -0.000368 -0.042269 0.037570 -0.028638 0.012467 0.016171 2.473839 1.850452 -0.222027 -0.109813 3.061001 0.519185 2.510066 0.001073 105 H 10.811629 13.645000 13.626690 0.069794 1.747480 0.13844247E+02 0.15534049E+03 2.345223 2.130124 -1.453859 2.147185 0.994538 4.338838 12.838437 0.444139 1.229056 -0.718633 -0.042506 0.001772 0.026876 0.050321 0.000758 -0.017283 0.014660 0.004969 -0.021801 -0.025346 0.003831 0.021515 2.481853 3.392801 0.073350 -0.633679 2.058321 -0.017995 1.994436 0.002545 106 H 12.238470 15.566216 13.893880 0.109292 1.488103 0.11553349E+02 0.12362977E+03 2.104868 1.948876 -1.216373 2.275513 0.996185 3.865759 11.090174 0.464301 1.232797 -0.719676 -0.011294 0.028244 0.018202 0.035449 0.001660 -0.014918 0.011463 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0.10771917E+02 0.11338583E+03 1.987721 1.891750 -1.023933 2.367647 0.997217 3.808224 10.872649 0.467062 1.245850 -0.717033 -0.026838 0.008951 -0.005519 0.028824 -0.004144 -0.000063 0.006446 0.010770 -0.005285 -0.010351 0.002063 0.008288 2.057897 2.646343 -0.079871 0.069309 1.993775 0.131649 1.533572 0.000134 113 H 14.091893 19.233992 15.149673 0.111042 1.731747 0.13937075E+02 0.15629037E+03 2.333339 2.145442 -1.326113 2.220607 0.994805 4.050378 11.893364 0.441014 1.238492 -0.718881 -0.033849 0.000778 0.014032 0.036650 0.003944 -0.011294 0.004492 0.005318 -0.054663 -0.023033 0.006884 0.016149 2.442325 3.364434 -0.179956 -0.404277 2.104592 0.147795 1.857949 0.001021 114 H 0.838453 21.155208 15.149673 0.070700 1.714075 0.13779543E+02 0.15507329E+03 2.356798 2.158294 -1.420993 2.167418 0.994004 4.356548 13.085476 0.429325 1.267703 -0.710151 -0.021941 0.043048 0.014857 0.050550 -0.007764 -0.011029 0.011058 -0.002936 -0.062512 -0.026326 0.002570 0.023756 2.475944 2.362795 -0.490483 -0.180801 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1.548952 0.13499630E+02 0.14951293E+03 2.167919 2.113206 -0.974783 2.396048 0.997797 3.755106 10.799122 0.445817 1.240489 -0.721811 -0.027557 0.004036 -0.004300 0.028181 -0.000696 -0.000724 0.005860 0.006349 -0.018406 -0.009715 0.003163 0.006552 2.185157 2.420864 -0.423573 0.334255 1.898116 -0.075629 2.236491 0.003571 124 H 11.856018 11.920272 19.104085 0.109623 1.493873 0.12876938E+02 0.14102203E+03 2.117345 2.064891 -0.992125 2.390745 0.997583 3.723256 10.667129 0.450421 1.241689 -0.721230 0.027496 0.007081 -0.006165 0.029055 0.003145 -0.002152 0.005476 0.006940 -0.014468 -0.009568 0.002473 0.007095 2.131693 2.233457 0.397675 -0.313831 1.923618 -0.083365 2.238006 0.001622 125 H 10.723371 9.169440 21.001134 0.109076 1.751455 0.14389270E+02 0.16120259E+03 2.282614 2.128854 -1.354100 2.207815 0.996246 3.910026 11.144360 0.462901 1.181094 -0.734013 -0.004675 -0.030899 -0.020569 0.037413 0.005591 0.001156 0.000512 -0.043392 0.017051 -0.025285 0.005691 0.019594 2.346421 1.689442 0.155094 0.097467 2.482679 0.537399 2.867142 0.000207 126 H 10.752791 9.082112 23.405844 0.071237 2.124097 0.17686773E+02 0.21063570E+03 2.684281 2.422825 -1.481444 2.138625 0.994120 4.432664 13.438896 0.413234 1.244591 -0.717580 -0.002697 -0.047593 0.018857 0.051264 0.004109 -0.001376 0.002556 -0.045076 0.011754 -0.024958 0.003668 0.021289 2.833555 2.026120 0.104041 0.026641 3.451989 -1.008342 3.022555 0.002547 127 H 11.414727 13.077368 23.619596 0.073812 2.049210 0.16903003E+02 0.19835821E+03 2.590120 2.346478 -1.445463 2.158769 0.994396 4.295294 12.784161 0.427287 1.221519 -0.723399 0.005562 0.046800 0.023463 0.052647 0.005775 0.000845 0.000978 -0.044690 0.002512 -0.023519 0.000805 0.022714 2.733001 1.990586 0.131321 0.001224 3.193284 0.976610 3.015134 0.001604 128 H 11.458856 13.252024 21.241605 0.111911 1.905306 0.16157523E+02 0.18648748E+03 2.452375 2.293029 -1.260808 2.258760 0.996628 3.882522 11.262334 0.434866 1.220325 -0.727442 0.004611 0.031598 -0.017373 0.036352 0.007281 0.001040 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0.10606441E+02 0.11175793E+03 1.997386 1.905000 -1.124092 2.324750 0.996279 3.873076 11.241582 0.453050 1.283074 -0.708303 -0.025315 -0.011975 -0.008429 0.029246 0.006112 0.002482 -0.005899 0.009463 -0.006049 -0.011179 0.002425 0.008754 2.068771 2.645284 0.150870 0.126981 2.015443 -0.141876 1.545585 0.000679 135 H 14.650861 5.239680 24.955546 0.104097 1.647737 0.14604109E+02 0.16416707E+03 2.223296 2.170971 -0.880432 2.427374 0.998672 3.769197 10.750636 0.450226 1.210219 -0.729777 -0.010274 -0.015885 -0.018911 0.026749 0.005450 0.003001 -0.002518 -0.003580 0.017508 -0.009642 0.002801 0.006841 2.236568 1.887093 -0.016304 0.160948 2.411878 0.479084 2.410732 0.002338 136 H 1.059098 6.134792 25.730397 0.098800 1.345534 0.10771742E+02 0.11338350E+03 1.987703 1.891734 -1.023917 2.367656 0.997217 3.808193 10.872529 0.467064 1.245850 -0.717033 0.026838 0.008952 0.005519 0.028825 0.004144 -0.000063 -0.006446 0.010768 -0.005285 -0.010351 0.002063 0.008288 2.057877 2.646317 0.079869 0.069306 1.993755 -0.131648 1.533559 0.000178 137 H 0.617807 8.317992 24.928827 0.111045 1.731754 0.13937133E+02 0.15629112E+03 2.333339 2.145442 -1.326154 2.220590 0.994804 4.050385 11.893372 0.441016 1.238487 -0.718883 0.033850 0.000777 -0.014031 0.036651 -0.003944 -0.011294 -0.004491 0.005318 -0.054656 -0.023031 0.006882 0.016148 2.442325 3.364436 0.179958 -0.404278 2.104592 -0.147795 1.857947 0.001085 138 H 13.871247 10.239208 24.928827 0.070699 1.714127 0.13780050E+02 0.15508041E+03 2.356841 2.158330 -1.421039 2.167393 0.994004 4.356626 13.085769 0.429323 1.267699 -0.710151 0.021940 0.043052 -0.014857 0.050552 0.007764 -0.011031 -0.011059 -0.002940 -0.062524 -0.026331 0.002572 0.023759 2.475992 2.362843 0.490497 -0.180807 3.108508 -0.442134 1.956626 0.001428 139 H 10.796920 8.056008 26.425091 0.072379 1.698436 0.13459191E+02 0.15053565E+03 2.338320 2.128786 -1.450114 2.154199 0.994324 4.341744 12.988320 0.433720 1.262631 -0.711072 -0.043469 -0.005297 0.022684 0.049317 0.003769 -0.013622 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6.335607 -0.000008 203 C 8.215367 17.980835 12.858519 0.151439 35.236006 0.39647323E+03 0.91018010E+04 9.635567 6.769021 -0.128533 1.976345 0.999362 26.047289 73.811393 0.615635 0.433380 -1.054438 -0.014179 -0.017195 0.002381 0.022414 0.030406 -0.015292 -0.005322 -0.024917 -0.034273 -0.032272 -0.009528 0.041800 12.714884 13.553503 5.952090 0.035206 17.942210 -4.051281 6.648938 0.042468 204 C 7.803496 19.096450 12.139778 -0.234450 40.036221 0.51825325E+03 0.12765373E+05 10.170650 7.561074 0.065507 1.967867 0.999762 32.036349 95.099746 0.601116 0.413672 -1.063110 0.017618 -0.005423 0.002316 0.018579 0.014472 0.025060 0.000149 0.040103 -0.069583 -0.034042 -0.010797 0.044839 12.273699 13.728340 3.253228 1.173415 15.890800 -3.836111 7.201957 0.024564 205 C 8.699317 20.153119 11.973853 0.060687 30.951104 0.38309398E+03 0.88042179E+04 8.767062 6.630978 0.045365 2.004149 0.999661 28.190848 82.493794 0.619212 0.430409 -1.046090 0.048062 -0.027193 0.024494 0.060410 -0.033512 -0.000142 -0.008607 -0.020066 0.052315 -0.044154 0.014094 0.030060 10.432800 13.141743 3.260720 1.332016 11.694096 -2.338452 6.462561 0.006294 206 C 7.260708 16.823739 13.039406 -0.218365 33.507445 0.45169049E+03 0.10788833E+05 9.190594 7.036212 -0.176259 1.920481 0.998916 30.629086 90.596413 0.623885 0.411025 -1.060982 0.045285 -0.011249 0.070982 0.084946 -0.017742 -0.012237 -0.034116 -0.011839 0.005718 -0.043093 0.005012 0.038082 11.904220 10.663231 5.462203 -1.830390 17.054365 -3.820513 7.995064 0.002570 207 C 7.448992 16.000673 14.289321 -0.217833 33.180145 0.45180940E+03 0.10791942E+05 9.110244 7.029157 -0.184471 1.916525 0.998895 30.683274 90.745705 0.625287 0.410093 -1.061627 -0.038460 0.010460 -0.075965 0.085786 -0.014612 -0.011324 -0.031396 -0.002036 0.000929 -0.039578 0.007387 0.032190 11.634747 10.440930 5.186718 -1.441022 16.541972 -3.269491 7.921341 0.002151 208 C 6.526694 14.810829 14.374288 0.153017 35.255083 0.39725720E+03 0.91300003E+04 9.644879 6.781571 -0.156794 1.966200 0.999328 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14.002626 0.054708 32.232765 0.40099012E+03 0.92949331E+04 8.946440 6.736101 0.082998 2.010896 0.999773 28.349334 82.547133 0.622700 0.424341 -1.052787 0.048259 -0.038394 0.011969 0.062819 -0.012828 0.014891 0.004204 0.043781 0.035941 -0.032889 0.003044 0.029845 10.693693 11.677863 2.364337 1.641104 14.695886 -1.442884 5.707332 0.014445 212 C 5.195466 14.902523 13.995412 -0.235314 41.331875 0.54371347E+03 0.13548193E+05 10.450454 7.791616 0.018293 1.952909 0.999622 32.270622 96.214853 0.587055 0.418713 -1.060353 0.010988 -0.012941 0.007875 0.018714 -0.001028 0.015112 -0.026117 -0.059989 -0.078479 -0.042636 -0.009683 0.052319 12.714941 15.048166 3.880619 0.948727 17.468978 -1.547784 5.627679 0.010690 213 C 9.874622 0.133175 15.037720 0.042842 31.874303 0.39995224E+03 0.92864483E+04 8.933874 6.773109 0.051833 2.000326 0.999733 28.602430 83.989815 0.613289 0.430130 -1.046789 0.063411 -0.002772 -0.004368 0.063622 0.007829 0.016511 0.005824 0.022836 -0.094458 -0.036154 0.001909 0.034245 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8.991776 6.873314 -0.129032 1.936492 0.998693 30.511526 89.962058 0.636259 0.406517 -1.063545 -0.004258 0.087283 0.004194 0.087487 0.007877 0.005861 -0.038496 -0.002850 -0.022359 -0.042218 0.004219 0.037999 11.841622 6.543607 -0.119334 0.067277 7.326920 -2.329709 21.654340 0.005314 220 C 10.967552 21.530718 20.897731 0.146844 35.478570 0.39604605E+03 0.90732469E+04 9.673286 6.740322 -0.092275 1.987482 0.999385 25.918936 72.943059 0.621502 0.430177 -1.058293 0.002640 -0.000391 -0.023456 0.023608 -0.003426 0.000900 -0.006567 0.024193 0.121110 -0.033311 -0.007678 0.040988 13.052571 5.027179 0.645026 -0.162158 9.143695 -0.824071 24.986841 0.062209 221 C 11.177901 0.895112 21.559027 -0.219981 39.368528 0.49761812E+03 0.12113765E+05 10.056786 7.388648 0.129610 1.992356 0.999852 31.423262 92.247902 0.611587 0.411401 -1.066285 -0.003889 -0.012813 0.010169 0.016814 0.002017 -0.012674 -0.028678 -0.050421 0.018469 -0.033742 -0.011365 0.045107 12.353894 5.211381 0.703808 -0.099072 9.580938 0.910416 22.269363 0.001976 222 C 11.170546 0.934410 22.940132 0.057072 31.979307 0.38012264E+03 0.87083562E+04 8.895036 6.533984 0.070000 2.007090 0.999771 28.209385 82.091244 0.634790 0.421176 -1.053054 -0.022655 -0.060518 0.008004 0.065113 -0.006110 -0.002303 0.016233 -0.026058 -0.102788 -0.038138 0.002776 0.035362 10.738487 4.781848 0.376679 -0.439280 9.920439 0.708114 17.513172 0.036368 223 C 10.799862 20.517714 23.060635 0.064845 31.152404 0.37853070E+03 0.86551665E+04 8.728661 6.521993 0.081317 2.012011 0.999778 28.032069 81.262468 0.635684 0.421396 -1.053844 0.018283 0.062457 0.005496 0.065309 -0.001166 0.001098 -0.026427 -0.013252 -0.109776 -0.046393 0.011583 0.034810 10.333373 4.755223 0.491800 0.515787 9.924942 -0.330306 16.319952 0.016929 224 C 10.770442 20.404187 21.691820 -0.229038 38.628072 0.49405592E+03 0.12009043E+05 9.858617 7.319355 0.100831 1.979755 0.999864 31.583763 92.739835 0.619688 0.406631 -1.069079 0.004959 0.017276 0.000777 0.017991 0.009109 0.001494 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-0.218361 33.507481 0.45169040E+03 0.10788831E+05 9.190588 7.036201 -0.176249 1.920483 0.998916 30.629130 90.596588 0.623887 0.411024 -1.060982 -0.045284 -0.011248 -0.070983 0.084945 0.017748 -0.012243 0.034116 -0.011840 0.005698 -0.043101 0.005020 0.038081 11.904223 10.663211 -5.462232 -1.830376 17.054414 3.820473 7.995044 0.002656 231 C 7.260708 5.084673 25.789179 -0.217830 33.180366 0.45181245E+03 0.10792023E+05 9.110256 7.029165 -0.184445 1.916530 0.998896 30.683349 90.745698 0.625289 0.410091 -1.061630 0.038461 0.010460 0.075965 0.085786 0.014618 -0.011327 0.031396 -0.002029 0.000916 -0.039583 0.007396 0.032188 11.634767 10.440971 -5.186762 -1.441020 16.541997 3.269507 7.921334 0.002233 232 C 8.183006 3.894829 25.704212 0.153007 35.255653 0.39726405E+03 0.91301919E+04 9.644932 6.781595 -0.156774 1.966204 0.999328 26.140087 74.267042 0.613889 0.434126 -1.053328 -0.010791 0.019650 0.005207 0.023015 -0.033472 -0.009434 0.002544 -0.031637 -0.017726 -0.035575 -0.005518 0.041092 12.670642 13.376242 -5.159036 0.170647 18.917923 3.033438 5.717760 0.026940 233 C 7.700528 2.680970 25.240371 -0.224054 39.297520 0.50736981E+03 0.12423447E+05 10.020026 7.460088 0.119519 1.986213 0.999840 31.758333 93.805078 0.608127 0.411334 -1.065279 0.017212 0.001250 -0.004137 0.017746 -0.007437 0.021318 -0.004916 0.053645 -0.041204 -0.023480 -0.019587 0.043067 12.055909 13.383056 -2.448739 1.244954 16.761128 2.528203 6.023545 0.006677 234 C 8.562516 1.578454 25.215522 0.043223 32.237658 0.40444640E+03 0.94138618E+04 8.995844 6.806564 0.032738 1.993926 0.999631 28.664883 84.182825 0.612595 0.429562 -1.047491 0.053949 0.033392 0.014835 0.065158 0.027151 0.002803 0.013710 -0.013683 0.007455 -0.030519 -0.001648 0.032167 10.682707 13.433895 -2.484693 1.442942 12.898594 1.529120 5.715630 0.020297 235 C 10.308558 2.805412 26.075874 0.054710 32.233334 0.40099759E+03 0.92951506E+04 8.946518 6.736139 0.082997 2.010891 0.999773 28.349728 82.548513 0.622701 0.424338 -1.052789 -0.048260 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0.12125582E+05 9.753667 7.359690 0.201186 2.015559 0.999870 31.297987 91.555448 0.617750 0.407540 -1.069862 -0.017469 0.000490 0.008911 0.019616 0.003995 -0.028448 0.001088 0.062833 0.020021 -0.035290 -0.012568 0.047857 11.523713 11.755359 -0.064292 1.763745 5.099673 -1.463009 17.716108 0.015838 239 C 3.745090 11.525113 22.946277 0.149188 36.077402 0.40156451E+03 0.92419849E+04 9.781997 6.800655 -0.225983 1.942101 0.999194 26.203944 74.187723 0.616196 0.431894 -1.056046 0.003580 -0.005184 -0.022555 0.023418 -0.001303 -0.001526 0.001463 -0.032905 0.136910 -0.039348 -0.006359 0.045707 12.993836 10.520263 -0.228847 0.030068 5.011123 -0.963877 23.450122 0.050399 240 C 2.537423 11.498914 23.615321 -0.226973 38.121622 0.51076892E+03 0.12493284E+05 9.745488 7.434702 0.179890 2.003653 0.999893 31.584803 92.411511 0.617049 0.405820 -1.071812 0.011369 -0.004369 0.014181 0.018693 -0.014059 0.026939 -0.011561 0.056386 0.039822 -0.038802 -0.009836 0.048638 11.435907 11.660673 -0.198940 -1.840542 5.055703 -1.081629 17.591346 0.011166 241 C 2.531539 11.291510 25.023412 0.043406 32.451848 0.41515389E+03 0.97053045E+04 9.000990 6.867206 0.130704 2.023363 0.999774 28.605650 83.596636 0.615069 0.425973 -1.051974 0.062156 0.003953 0.006161 0.062586 -0.002127 -0.015901 0.013249 0.031966 -0.082594 -0.036156 0.001454 0.034702 10.560561 11.921143 -0.485070 -0.493919 5.033516 -0.747389 14.727024 0.038218 242 C 3.770096 11.784914 21.454288 -0.227268 32.660459 0.43749800E+03 0.10367315E+05 9.026978 6.902793 -0.202254 1.910661 0.998866 30.600534 90.169418 0.632865 0.408418 -1.062615 -0.008163 -0.083922 -0.004226 0.084424 -0.006023 0.002402 0.027614 0.023214 -0.002506 -0.034919 0.012429 0.022490 11.712062 6.705461 0.180897 0.072590 7.344707 1.422343 21.086020 0.001835 243 C 3.720083 10.479360 20.691728 -0.222201 32.547539 0.43579995E+03 0.10320038E+05 8.991790 6.873327 -0.129022 1.936495 0.998694 30.511479 89.961650 0.636259 0.406516 -1.063546 0.004258 0.087282 -0.004194 0.087486 -0.007879 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8.184817 13.517409 0.039495 32.919681 0.40657734E+03 0.94544275E+04 9.058346 6.777701 0.058420 1.997816 0.999752 28.605791 83.349184 0.621672 0.423695 -1.053486 -0.047137 0.038005 0.026459 0.066079 -0.011743 -0.024211 -0.002164 0.028474 0.017131 -0.026400 -0.007613 0.034013 10.863486 11.941269 3.235457 -1.565036 14.048454 2.486052 6.600735 0.046354 250 C 2.143203 7.064835 13.338125 -0.219888 39.435219 0.51064579E+03 0.12519399E+05 10.089129 7.523270 0.096865 1.982015 0.999739 31.631516 93.382077 0.601060 0.415647 -1.062878 -0.002192 0.008120 0.009296 0.012537 -0.008063 -0.013245 0.029379 -0.051465 -0.004798 -0.031600 -0.016117 0.047717 12.269126 14.460226 4.836910 -0.884259 16.011530 2.684516 6.335621 -0.000006 251 C 0.860517 7.064835 13.860481 0.151437 35.236119 0.39647437E+03 0.91018362E+04 9.635594 6.769035 -0.128536 1.976344 0.999362 26.047342 73.811640 0.615634 0.433381 -1.054437 -0.014179 -0.017195 -0.002379 0.022414 0.030406 0.015291 0.005322 -0.024916 -0.034277 -0.032271 -0.009530 0.041801 12.714923 13.553558 5.952109 -0.035208 17.942254 4.051296 6.648957 0.042502 252 C 0.448646 8.180450 14.579222 -0.234452 40.036392 0.51825574E+03 0.12765452E+05 10.170678 7.561091 0.065498 1.967863 0.999762 32.036460 95.100200 0.601115 0.413672 -1.063110 0.017619 -0.005425 -0.002316 0.018581 0.014474 -0.025061 -0.000147 0.040104 -0.069591 -0.034046 -0.010795 0.044841 12.273733 13.728397 3.253225 -1.173430 15.890823 3.836121 7.201980 0.024585 253 C 1.344467 9.237119 14.745147 0.060688 30.951077 0.38309360E+03 0.88042055E+04 8.767054 6.630972 0.045374 2.004151 0.999661 28.190824 82.493665 0.619213 0.430408 -1.046090 0.048063 -0.027193 -0.024493 0.060411 -0.033513 0.000143 0.008608 -0.020068 0.052317 -0.044155 0.014095 0.030061 10.432788 13.141737 3.260714 -1.332021 11.694072 2.338445 6.462555 0.006302 254 C 14.615558 5.907739 13.679594 -0.218365 33.507512 0.45169124E+03 0.10788858E+05 9.190612 7.036222 -0.176264 1.920479 0.998916 30.629132 90.596650 0.623884 0.411025 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0.12423314E+05 10.020001 7.460075 0.119515 1.986217 0.999840 31.758112 93.804422 0.608125 0.411336 -1.065277 -0.017214 0.001244 -0.004143 0.017750 0.007437 -0.021318 -0.004913 0.053626 -0.041200 -0.023473 -0.019585 0.043059 12.055877 13.383008 2.448768 -1.244927 16.761088 2.528198 6.023535 0.006584 258 C 13.502034 1.578454 11.856022 0.043229 32.237055 0.40443765E+03 0.94136079E+04 8.995769 6.806518 0.032743 1.993934 0.999631 28.664434 84.181306 0.612593 0.429566 -1.047488 -0.053938 0.033392 0.014828 0.065148 -0.027154 -0.002799 0.013703 -0.013672 0.007509 -0.030528 -0.001629 0.032157 10.682612 13.433783 2.484705 -1.442906 12.898467 1.529101 5.715586 0.020003 259 C 11.755992 2.805412 12.716374 0.054706 32.233005 0.40099302E+03 0.92950204E+04 8.946485 6.736123 0.082993 2.010893 0.999773 28.349497 82.547797 0.622699 0.424341 -1.052787 0.048260 -0.038396 -0.011969 0.062821 -0.012828 -0.014893 -0.004204 0.043782 0.035933 -0.032888 0.003040 0.029847 10.693759 11.677938 2.364359 -1.641115 14.695978 1.442901 5.707361 0.014443 260 C 12.550316 3.986523 12.723588 -0.235315 41.332247 0.54371843E+03 0.13548352E+05 10.450517 7.791648 0.018285 1.952904 0.999622 32.270826 96.215688 0.587054 0.418712 -1.060353 0.010991 -0.012942 -0.007875 0.018717 -0.001028 -0.015114 0.026120 -0.059991 -0.078492 -0.042642 -0.009681 0.052323 12.715031 15.048268 3.880651 -0.948730 17.469117 1.547804 5.627708 0.010690 261 C 2.519772 11.049175 11.681280 0.042841 31.874502 0.39995531E+03 0.92865380E+04 8.933905 6.773130 0.051836 2.000325 0.999733 28.602574 83.990342 0.613289 0.430129 -1.046789 0.063413 -0.002772 0.004370 0.063624 0.007829 -0.016514 -0.005825 0.022842 -0.094453 -0.036154 0.001906 0.034248 10.486498 11.733258 0.564023 0.065086 5.209175 -1.777851 14.517062 0.027069 262 C 2.449165 11.304610 10.317275 -0.223200 38.052106 0.49840465E+03 0.12125681E+05 9.753706 7.359746 0.201151 2.015550 0.999870 31.298046 91.556071 0.617742 0.407544 -1.069858 0.017463 0.000488 0.008921 0.019615 -0.003998 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10.614718 5.821269 0.146854 35.478398 0.39604614E+03 0.90732492E+04 9.673236 6.740314 -0.092273 1.987482 0.999385 25.918973 72.943158 0.621503 0.430176 -1.058294 0.002639 -0.000392 0.023456 0.023608 -0.003425 -0.000900 0.006567 0.024188 0.121109 -0.033308 -0.007680 0.040988 13.052439 5.027154 0.645030 0.162155 9.143693 0.824125 24.986470 0.062218 269 C 3.823051 11.811112 5.159973 -0.219987 39.368618 0.49762610E+03 0.12114006E+05 10.056791 7.388713 0.129584 1.992344 0.999852 31.423521 92.248794 0.611583 0.411401 -1.066284 -0.003889 -0.012812 -0.010166 0.016812 0.002020 0.012673 0.028676 -0.050423 0.018468 -0.033741 -0.011365 0.045106 12.353817 5.211392 0.703815 0.099054 9.581008 -0.910418 22.269051 0.001991 270 C 3.815696 11.850410 3.778868 0.057064 31.978226 0.38011375E+03 0.87080490E+04 8.894620 6.533760 0.070049 2.007104 0.999771 28.208889 82.087698 0.634826 0.421157 -1.053073 -0.022651 -0.060511 -0.007996 0.065105 -0.006102 0.002296 -0.016233 -0.026070 -0.102773 -0.038133 0.002772 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0.12765730E+05 10.170765 7.561143 0.065486 1.967854 0.999762 32.036855 95.101701 0.601115 0.413671 -1.063111 -0.017619 -0.005431 0.002328 0.018584 -0.014476 -0.025061 0.000142 0.040111 -0.069624 -0.034056 -0.010792 0.044848 12.273839 13.728579 -3.253229 -1.173489 15.890924 -3.836118 7.202013 0.024734 277 C 13.365233 20.153119 25.333353 0.060692 30.951213 0.38309549E+03 0.88042572E+04 8.767059 6.630973 0.045379 2.004151 0.999661 28.190929 82.493927 0.619215 0.430406 -1.046091 -0.048066 -0.027190 0.024498 0.060413 0.033516 0.000144 -0.008614 -0.020076 0.052308 -0.044159 0.014091 0.030068 10.432796 13.141781 -3.260731 -1.332040 11.694065 -2.338418 6.462542 0.006360 278 C 0.094142 16.823739 26.398906 -0.218361 33.507322 0.45168915E+03 0.10788786E+05 9.190537 7.036180 -0.176234 1.920489 0.998916 30.629024 90.595988 0.623889 0.411022 -1.060984 -0.045285 -0.011249 0.070982 0.084945 0.017748 0.012243 -0.034116 -0.011841 0.005699 -0.043100 0.005019 0.038082 11.904118 10.663122 -5.462138 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1.952899 0.999622 32.271021 96.216277 0.587053 0.418712 -1.060353 -0.011000 -0.012934 0.007878 0.018718 0.001026 -0.015114 -0.026118 -0.059994 -0.078516 -0.042647 -0.009679 0.052326 12.715059 15.048316 -3.880640 -0.948781 17.469150 -1.547716 5.627710 0.010880 285 C 12.189928 0.133175 1.678220 0.042845 31.874461 0.39995464E+03 0.92865125E+04 8.933878 6.773111 0.051841 2.000327 0.999733 28.602525 83.989979 0.613292 0.430127 -1.046791 -0.063414 -0.002772 -0.004372 0.063625 -0.007832 -0.016514 0.005825 0.022848 -0.094453 -0.036153 0.001901 0.034252 10.486484 11.733212 -0.564020 0.065064 5.209168 1.777852 14.517072 0.027169 286 C 12.260535 0.388610 3.042225 -0.223198 38.052085 0.49840409E+03 0.12125657E+05 9.753684 7.359729 0.201168 2.015554 0.999870 31.298031 91.555805 0.617745 0.407543 -1.069859 -0.017463 0.000487 -0.008918 0.019615 0.003993 0.028441 -0.001089 0.062831 0.020014 -0.035287 -0.012564 0.047851 11.523727 11.755461 -0.064305 -1.763855 5.099684 1.462981 17.716035 0.015814 287 C 11.099940 0.609113 3.772723 0.149198 36.077400 0.40156518E+03 0.92420121E+04 9.782025 6.800680 -0.225992 1.942097 0.999194 26.203978 74.188082 0.616191 0.431897 -1.056043 0.003577 -0.005182 0.022557 0.023420 -0.001302 0.001526 -0.001464 -0.032919 0.136900 -0.039353 -0.006350 0.045703 12.993874 10.520369 -0.228854 -0.030052 5.011134 0.963834 23.450119 0.050336 288 C 9.892273 0.582914 3.103679 -0.226977 38.121710 0.51077350E+03 0.12493431E+05 9.745521 7.434749 0.179868 2.003646 0.999892 31.584953 92.412242 0.617046 0.405822 -1.071811 0.011367 -0.004371 -0.014186 0.018696 -0.014059 -0.026932 0.011564 0.056390 0.039832 -0.038807 -0.009827 0.048634 11.435940 11.660793 -0.198946 1.840646 5.055717 1.081579 17.591309 0.011155 289 C 9.886389 0.375510 1.695588 0.043414 32.450992 0.41514397E+03 0.97049980E+04 9.000768 6.867075 0.130736 2.023378 0.999774 28.605221 83.594592 0.615082 0.425967 -1.051979 0.062145 0.003957 -0.006160 0.062575 -0.002126 0.015899 -0.013256 0.031945 -0.082592 -0.036159 0.001467 0.034692 10.560272 11.920929 -0.485044 0.494204 5.033420 0.747264 14.726467 0.038165 290 C 11.124946 0.868914 5.264712 -0.227268 32.660463 0.43749843E+03 0.10367332E+05 9.026995 6.902808 -0.202271 1.910656 0.998866 30.600544 90.169583 0.632862 0.408419 -1.062613 -0.008163 -0.083921 0.004226 0.084423 -0.006024 -0.002401 -0.027614 0.023208 -0.002502 -0.034917 0.012425 0.022492 11.712097 6.705473 0.180906 -0.072581 7.344729 -1.422386 21.086088 0.001830 291 C 11.074933 21.395360 6.027272 -0.222199 32.547581 0.43580027E+03 0.10320056E+05 8.991811 6.873336 -0.129027 1.936493 0.998694 30.511565 89.962184 0.636257 0.406517 -1.063545 0.004258 0.087282 0.004194 0.087486 -0.007879 -0.005862 -0.038495 -0.002849 -0.022361 -0.042219 0.004220 0.037998 11.841709 6.543611 0.119356 -0.067276 7.326980 -2.329768 21.654537 0.005352 292 C 11.096998 21.530718 7.538231 0.146845 35.478694 0.39604683E+03 0.90732724E+04 9.673319 6.740334 -0.092271 1.987483 0.999385 25.918973 72.943282 0.621500 0.430177 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0.86552380E+04 8.728719 6.522003 0.081302 2.012004 0.999778 28.032281 81.263519 0.635683 0.421395 -1.053844 -0.018285 0.062457 0.005495 0.065310 0.001168 -0.001100 -0.026427 -0.013257 -0.109774 -0.046392 0.011580 0.034812 10.333468 4.755239 -0.491814 -0.515779 9.925074 -0.330393 16.320090 0.016866 296 C 11.294108 20.404187 8.332320 -0.229040 38.628360 0.49405810E+03 0.12009118E+05 9.858684 7.319374 0.100819 1.979750 0.999864 31.583899 92.740528 0.619686 0.406632 -1.069078 -0.004960 0.017277 0.000777 0.017992 -0.009112 -0.001497 0.027650 -0.059791 0.009074 -0.033046 -0.013994 0.047041 11.764798 5.179530 -0.855103 -0.092567 10.296484 -1.237604 19.818381 0.012826 297 C 11.741283 13.647183 13.201591 0.039495 32.919635 0.40657663E+03 0.94544072E+04 9.058341 6.777698 0.058417 1.997816 0.999752 28.605749 83.349054 0.621671 0.423695 -1.053486 0.047137 -0.038005 -0.026459 0.066078 -0.011745 -0.024210 -0.002166 0.028473 0.017137 -0.026401 -0.007611 0.034012 10.863483 11.941251 3.235457 -1.565033 14.048460 2.486055 6.600738 0.046339 298 C 12.566497 14.767165 13.380875 -0.219887 39.435129 0.51064449E+03 0.12519358E+05 10.089111 7.523260 0.096869 1.982016 0.999739 31.631463 93.381831 0.601060 0.415647 -1.062878 0.002191 -0.008120 -0.009297 0.012537 -0.008062 -0.013244 0.029379 -0.051464 -0.004797 -0.031600 -0.016117 0.047716 12.269105 14.460185 4.836908 -0.884253 16.011517 2.684511 6.335614 -0.000008 299 C 13.849183 14.767165 12.858519 0.151437 35.236058 0.39647374E+03 0.91018163E+04 9.635578 6.769026 -0.128534 1.976345 0.999362 26.047312 73.811488 0.615635 0.433380 -1.054438 0.014179 0.017195 0.002380 0.022414 0.030406 0.015291 0.005322 -0.024916 -0.034275 -0.032272 -0.009529 0.041801 12.714904 13.553526 5.952110 -0.035204 17.942241 4.051285 6.648944 0.042489 300 C 14.261054 13.651550 12.139778 -0.234452 40.036285 0.51825421E+03 0.12765402E+05 10.170661 7.561082 0.065505 1.967866 0.999762 32.036386 95.099889 0.601116 0.413672 -1.063110 -0.017619 0.005424 0.002316 0.018580 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1.207666 20.253546 14.862978 0.043232 32.236811 0.40443445E+03 0.94135115E+04 8.995723 6.806492 0.032757 1.993940 0.999631 28.664261 84.180601 0.612594 0.429566 -1.047489 0.053937 -0.033391 -0.014827 0.065146 -0.027154 -0.002798 0.013701 -0.013671 0.007518 -0.030530 -0.001625 0.032155 10.682549 13.433699 2.484687 -1.442902 12.898388 1.529085 5.715562 0.019967 307 C 2.953708 19.026588 14.002626 0.054707 32.232872 0.40099153E+03 0.92949743E+04 8.946456 6.736109 0.082998 2.010896 0.999773 28.349404 82.547384 0.622700 0.424340 -1.052787 -0.048259 0.038394 0.011969 0.062820 -0.012828 -0.014892 -0.004203 0.043781 0.035934 -0.032887 0.003041 0.029846 10.693717 11.677891 2.364351 -1.641108 14.695920 1.442886 5.707342 0.014425 308 C 2.159384 17.845477 13.995412 -0.235313 41.331958 0.54371458E+03 0.13548227E+05 10.450464 7.791621 0.018294 1.952909 0.999622 32.270672 96.215024 0.587055 0.418712 -1.060353 -0.010988 0.012942 0.007875 0.018715 -0.001028 -0.015112 0.026118 -0.059989 -0.078484 -0.042638 -0.009682 0.052320 12.714958 15.048188 3.880638 -0.948727 17.469003 1.547784 5.627683 0.010675 309 C 12.189928 10.782825 15.037720 0.042840 31.874603 0.39995639E+03 0.92865697E+04 8.933919 6.773136 0.051834 2.000324 0.999733 28.602641 83.990578 0.613289 0.430128 -1.046789 -0.063414 0.002772 -0.004369 0.063625 0.007830 -0.016513 -0.005826 0.022845 -0.094450 -0.036153 0.001904 0.034249 10.486528 11.733270 0.564025 0.065080 5.209183 -1.777856 14.517131 0.027071 310 C 12.260535 10.527390 16.401725 -0.223199 38.052169 0.49840504E+03 0.12125693E+05 9.753715 7.359747 0.201153 2.015550 0.999870 31.298077 91.556173 0.617742 0.407544 -1.069858 -0.017463 -0.000487 -0.008921 0.019616 -0.003998 0.028441 0.001088 0.062826 0.020016 -0.035286 -0.012563 0.047849 11.523750 11.755528 0.064299 -1.763822 5.099691 -1.462974 17.716032 0.015717 311 C 11.099940 10.306887 17.132223 0.149201 36.077189 0.40156332E+03 0.92419581E+04 9.781976 6.800662 -0.226002 1.942094 0.999194 26.203919 74.187853 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32.660782 0.43750346E+03 0.10367465E+05 9.027082 6.902881 -0.202283 1.910653 0.998866 30.600452 90.168929 0.632855 0.408423 -1.062612 -0.008164 0.083920 0.004227 0.084422 0.006023 -0.002401 0.027612 0.023206 -0.002505 -0.034915 0.012425 0.022491 11.712209 6.705453 -0.180885 -0.072588 7.344793 1.422470 21.086381 0.001800 315 C 11.074933 11.352640 19.386772 -0.222200 32.547662 0.43580135E+03 0.10320091E+05 8.991811 6.873331 -0.129024 1.936491 0.998694 30.511697 89.962699 0.636259 0.406516 -1.063546 0.004257 -0.087281 0.004194 0.087486 0.007878 -0.005862 0.038498 -0.002855 -0.022367 -0.042220 0.004218 0.038002 11.841688 6.543630 -0.119333 -0.067270 7.326940 2.329726 21.654494 0.005324 316 C 11.096998 11.217282 20.897731 0.146846 35.478830 0.39604892E+03 0.90733247E+04 9.673298 6.740321 -0.092256 1.987487 0.999385 25.919081 72.943404 0.621505 0.430173 -1.058296 -0.002641 0.000393 -0.023453 0.023604 -0.003421 -0.000900 0.006566 0.024171 0.121133 -0.033303 -0.007693 0.040996 13.052598 5.027182 0.645032 0.162164 9.143736 0.824075 24.986877 0.062231 317 C 10.886649 10.020888 21.559027 -0.219984 39.369160 0.49762658E+03 0.12114028E+05 10.056887 7.388705 0.129600 1.992347 0.999852 31.423623 92.249303 0.611585 0.411400 -1.066285 0.003890 0.012817 0.010166 0.016815 0.002018 0.012677 0.028684 -0.050427 0.018471 -0.033747 -0.011368 0.045115 12.354037 5.211425 0.703817 0.099075 9.581047 -0.910435 22.269638 0.001991 318 C 10.894004 9.981590 22.940132 0.057069 31.979760 0.38012836E+03 0.87085188E+04 8.895093 6.534013 0.070007 2.007088 0.999771 28.209695 82.092263 0.634791 0.421173 -1.053056 0.022656 0.060524 0.008007 0.065119 -0.006107 0.002301 -0.016236 -0.026078 -0.102763 -0.038131 0.002765 0.035367 10.738569 4.781872 0.376683 0.439283 9.920517 -0.708138 17.513318 0.036389 319 C 11.264688 12.230286 23.060635 0.064843 31.152742 0.37853495E+03 0.86552883E+04 8.728714 6.522020 0.081322 2.012009 0.999778 28.032283 81.263216 0.635684 0.421395 -1.053845 -0.018282 -0.062461 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7.201996 0.024738 325 C 1.344467 1.678881 1.385647 0.060697 30.952387 0.38310983E+03 0.88047264E+04 8.767517 6.631272 0.045347 2.004142 0.999662 28.191657 82.498467 0.619173 0.430429 -1.046071 0.048070 0.027193 -0.024503 0.060420 0.033524 0.000141 -0.008611 -0.020090 0.052306 -0.044167 0.014092 0.030075 10.433393 13.142627 -3.261028 -1.332267 11.694631 -2.338427 6.462922 0.006358 326 C 14.615558 5.008261 0.320094 -0.218362 33.507585 0.45169177E+03 0.10788872E+05 9.190607 7.036212 -0.176248 1.920483 0.998916 30.629168 90.596710 0.623886 0.411024 -1.060983 0.045284 0.011249 -0.070982 0.084945 0.017748 0.012244 -0.034116 -0.011839 0.005696 -0.043102 0.005021 0.038081 11.904258 10.663250 -5.462266 1.830389 17.054460 -3.820497 7.995063 0.002661 327 C 0.094142 5.831327 25.789179 -0.217830 33.180334 0.45181179E+03 0.10792005E+05 9.110249 7.029158 -0.184443 1.916531 0.998896 30.683351 90.745726 0.625290 0.410091 -1.061630 -0.038461 -0.010459 0.075965 0.085787 0.014619 0.011328 -0.031396 -0.002028 0.000916 -0.039585 0.007397 0.032188 11.634762 10.440963 -5.186765 1.441020 16.541990 -3.269495 7.921331 0.002235 328 C 13.881544 7.021171 25.704212 0.153007 35.255646 0.39726388E+03 0.91301880E+04 9.644934 6.781596 -0.156774 1.966204 0.999328 26.140084 74.267052 0.613889 0.434126 -1.053327 0.010791 -0.019650 0.005206 0.023015 -0.033472 0.009434 -0.002544 -0.031637 -0.017730 -0.035574 -0.005519 0.041093 12.670649 13.376241 -5.159056 -0.170645 18.917946 -3.033436 5.717760 0.026970 329 C 14.364022 8.235030 25.240371 -0.224053 39.297474 0.50736954E+03 0.12423436E+05 10.020015 7.460086 0.119524 1.986215 0.999840 31.758304 93.804913 0.608127 0.411334 -1.065279 -0.017211 -0.001250 -0.004135 0.017745 -0.007436 -0.021318 0.004917 0.053646 -0.041203 -0.023481 -0.019586 0.043067 12.055893 13.383016 -2.448736 -1.244945 16.761122 -2.528204 6.023541 0.006695 330 C 13.502034 9.337546 25.215522 0.043224 32.237588 0.40444581E+03 0.94138418E+04 8.995826 6.806557 0.032745 1.993929 0.999631 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21.698825 25.040780 0.042850 31.875211 0.39996274E+03 0.92867822E+04 8.934165 6.773287 0.051704 2.000285 0.999733 28.602903 83.992480 0.613267 0.430141 -1.046778 0.063425 0.002772 0.004377 0.063637 -0.007835 -0.016515 0.005829 0.022855 -0.094462 -0.036157 0.001899 0.034258 10.486851 11.733497 -0.563975 0.065337 5.209282 1.777923 14.517773 0.027181 334 C 2.449165 21.443390 23.676775 -0.223199 38.052191 0.49840235E+03 0.12125598E+05 9.753676 7.359693 0.201186 2.015559 0.999870 31.298002 91.555532 0.617750 0.407540 -1.069862 0.017469 -0.000489 0.008912 0.019617 0.003995 0.028447 -0.001088 0.062836 0.020023 -0.035291 -0.012567 0.047858 11.523728 11.755376 -0.064292 -1.763745 5.099675 1.463012 17.716132 0.015819 335 C 3.609760 21.222887 22.946277 0.149189 36.077474 0.40156520E+03 0.92420059E+04 9.782015 6.800664 -0.225981 1.942101 0.999194 26.203971 74.187858 0.616195 0.431895 -1.056046 -0.003579 0.005183 -0.022555 0.023418 -0.001303 0.001526 -0.001463 -0.032906 0.136911 -0.039348 -0.006359 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0.12113732E+05 10.056823 7.388642 0.129599 1.992354 0.999852 31.423272 92.248340 0.611586 0.411401 -1.066283 -0.003891 0.012812 -0.010170 0.016814 -0.002015 0.012675 -0.028676 -0.050418 0.018474 -0.033742 -0.011361 0.045104 12.353977 5.211385 -0.703816 0.099083 9.580994 0.910320 22.269554 0.001916 342 C 3.815696 20.897590 17.138368 0.057070 31.979427 0.38012271E+03 0.87083660E+04 8.895080 6.533986 0.069999 2.007090 0.999771 28.209445 82.091703 0.634789 0.421176 -1.053053 -0.022656 0.060517 -0.008001 0.065112 0.006114 0.002305 0.016231 -0.026060 -0.102788 -0.038137 0.002774 0.035363 10.738572 4.781859 -0.376687 0.439280 9.920516 0.708086 17.513342 0.036291 343 C 3.445012 1.314286 17.017865 0.064843 31.152486 0.37853082E+03 0.86551778E+04 8.728683 6.521987 0.081311 2.012008 0.999778 28.032162 81.263017 0.635684 0.421395 -1.053844 0.018285 -0.062456 -0.005494 0.065309 0.001169 -0.001100 -0.026425 -0.013253 -0.109777 -0.046392 0.011582 0.034810 10.333414 4.755225 -0.491809 -0.515775 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8.183006 7.021171 12.344712 0.153016 35.255366 0.39726013E+03 0.91300862E+04 9.644929 6.781593 -0.156791 1.966200 0.999328 26.139903 74.266637 0.613884 0.434130 -1.053325 -0.010796 -0.019652 0.005205 0.023018 0.033473 -0.009439 -0.002540 -0.031635 -0.017676 -0.035585 -0.005500 0.041085 12.670648 13.376233 5.159095 0.170629 18.917954 -3.033431 5.717757 0.026579 353 C 7.700528 8.235030 11.880871 -0.224057 39.297183 0.50736502E+03 0.12423302E+05 10.019991 7.460069 0.119517 1.986217 0.999840 31.758109 93.804358 0.608125 0.411336 -1.065278 0.017215 -0.001245 -0.004144 0.017750 0.007437 0.021319 0.004913 0.053628 -0.041199 -0.023474 -0.019586 0.043060 12.055864 13.382993 2.448769 1.244926 16.761070 -2.528193 6.023530 0.006604 354 C 8.562516 9.337546 11.856022 0.043227 32.237174 0.40443952E+03 0.94136628E+04 8.995790 6.806533 0.032740 1.993932 0.999631 28.664514 84.181605 0.612592 0.429566 -1.047488 0.053939 -0.033392 0.014827 0.065149 -0.027154 0.002799 -0.013704 -0.013674 0.007507 -0.030528 -0.001630 0.032158 10.682637 13.433813 2.484714 1.442911 12.898496 -1.529103 5.715601 0.020036 355 C 10.308558 8.110588 12.716374 0.054706 32.233080 0.40099406E+03 0.92950521E+04 8.946500 6.736132 0.082988 2.010891 0.999773 28.349552 82.548033 0.622698 0.424341 -1.052786 -0.048260 0.038396 -0.011970 0.062822 -0.012827 0.014894 0.004203 0.043784 0.035931 -0.032888 0.003039 0.029849 10.693780 11.677958 2.364370 1.641117 14.696010 -1.442901 5.707371 0.014462 356 C 9.514234 6.929477 12.723588 -0.235316 41.332428 0.54372111E+03 0.13548439E+05 10.450554 7.791672 0.018276 1.952900 0.999622 32.270917 96.216110 0.587052 0.418713 -1.060352 -0.010992 0.012942 -0.007875 0.018717 -0.001028 0.015115 -0.026121 -0.059992 -0.078495 -0.042644 -0.009681 0.052325 12.715082 15.048323 3.880682 0.948730 17.469197 -1.547808 5.627726 0.010705 357 C 4.835078 21.698825 11.681280 0.042841 31.874493 0.39995517E+03 0.92865336E+04 8.933903 6.773129 0.051837 2.000325 0.999733 28.602563 83.990294 0.613289 0.430129 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0.12493392E+05 9.745500 7.434740 0.179858 2.003643 0.999892 31.584918 92.412161 0.617046 0.405822 -1.071811 0.011367 0.004371 0.014188 0.018698 0.014057 0.026931 0.011564 0.056383 0.039833 -0.038803 -0.009827 0.048630 11.435878 11.660815 0.198959 -1.840579 5.055702 1.081565 17.591116 0.011039 361 C 2.531539 21.456490 11.663912 0.043413 32.450887 0.41514282E+03 0.97049650E+04 9.000756 6.867073 0.130732 2.023377 0.999774 28.605152 83.594380 0.615081 0.425968 -1.051979 0.062142 -0.003957 0.006157 0.062572 0.002125 -0.015898 -0.013257 0.031938 -0.082600 -0.036162 0.001472 0.034689 10.560236 11.920925 0.485047 -0.494153 5.033410 0.747263 14.726372 0.038051 362 C 3.770096 20.963086 8.094788 -0.227268 32.660576 0.43750169E+03 0.10367412E+05 9.027031 6.902859 -0.202275 1.910656 0.998866 30.600400 90.168701 0.632857 0.408422 -1.062613 -0.008163 0.083920 -0.004227 0.084422 0.006023 0.002401 -0.027614 0.023202 -0.002507 -0.034915 0.012423 0.022492 11.712092 6.705434 -0.180890 0.072587 7.344764 -1.422449 21.086078 0.001789 363 C 3.720083 0.436640 7.332228 -0.222200 32.547446 0.43579965E+03 0.10320041E+05 8.991786 6.873330 -0.129031 1.936492 0.998694 30.511590 89.962370 0.636257 0.406517 -1.063545 0.004258 -0.087282 -0.004194 0.087487 0.007878 0.005861 -0.038496 -0.002850 -0.022360 -0.042218 0.004219 0.037999 11.841609 6.543614 -0.119337 0.067277 7.326934 -2.329737 21.654278 0.005321 364 C 3.742148 0.301282 5.821269 0.146851 35.478472 0.39604663E+03 0.90732673E+04 9.673271 6.740331 -0.092277 1.987481 0.999385 25.918984 72.943326 0.621500 0.430177 -1.058292 -0.002639 0.000392 0.023457 0.023608 -0.003425 0.000901 -0.006568 0.024192 0.121105 -0.033310 -0.007677 0.040987 13.052502 5.027171 0.645029 -0.162157 9.143711 -0.824127 24.986623 0.062209 365 C 3.531799 20.936888 5.159973 -0.219986 39.368542 0.49762473E+03 0.12113966E+05 10.056790 7.388710 0.129587 1.992346 0.999852 31.423456 92.248624 0.611583 0.411402 -1.066284 0.003889 0.012812 -0.010167 0.016812 0.002020 -0.012673 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26.218019 0.151432 35.236134 0.39647529E+03 0.91018514E+04 9.635538 6.769004 -0.128522 1.976347 0.999362 26.047400 73.811482 0.615641 0.433376 -1.054442 -0.014181 0.017190 0.002377 0.022411 -0.030406 -0.015288 0.005326 -0.024915 -0.034309 -0.032265 -0.009540 0.041806 12.714826 13.553432 -5.952005 0.035267 17.942140 4.051238 6.648907 0.042686 372 C 7.803496 13.651550 25.499278 -0.234457 40.037021 0.51826506E+03 0.12765745E+05 10.170775 7.561151 0.065485 1.967854 0.999762 32.036860 95.101773 0.601114 0.413671 -1.063110 0.017618 0.005430 0.002329 0.018583 -0.014476 0.025061 -0.000142 0.040110 -0.069628 -0.034057 -0.010792 0.044848 12.273852 13.728582 -3.253232 1.173486 15.890951 3.836128 7.202023 0.024744 373 C 8.699317 12.594881 25.333353 0.060693 30.951170 0.38309507E+03 0.88042435E+04 8.767049 6.630969 0.045386 2.004154 0.999661 28.190885 82.493731 0.619216 0.430406 -1.046092 0.048065 0.027189 0.024498 0.060413 0.033517 -0.000145 0.008614 -0.020077 0.052306 -0.044159 0.014091 0.030068 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-0.025763 -0.006482 0.032245 12.050755 14.297854 1.599373 0.328992 6.339358 -1.087727 15.515053 0.037541 412 N 11.080817 11.065331 23.696547 -0.236515 41.416942 0.57240007E+03 0.14290988E+05 10.322251 7.933177 -0.359831 1.889604 0.998986 29.636361 85.355446 0.595001 0.412312 -1.076104 0.000505 0.005517 -0.124162 0.124286 -0.010913 -0.002154 0.001880 -0.032364 -0.074812 -0.025166 -0.006924 0.032090 12.337180 5.806297 -0.112048 -0.130170 12.809247 -0.074584 18.395996 0.043670 413 N 2.569785 1.678444 0.885735 -0.226652 41.490383 0.56482475E+03 0.14067890E+05 10.342293 7.888009 -0.497991 1.850105 0.998258 29.547849 85.253552 0.595304 0.413097 -1.074604 -0.075287 0.092807 -0.026394 0.122384 0.017203 -0.016045 0.006642 -0.004723 0.060598 -0.032663 0.005896 0.026767 12.655686 14.152138 -3.819349 -1.778642 14.897523 -2.910006 8.917395 0.029909 414 N 12.228174 9.259170 25.613902 -0.224209 41.118569 0.56525309E+03 0.14086131E+05 10.294787 7.902102 -0.515253 1.845034 0.998193 29.572022 85.443378 0.593313 0.414261 -1.073475 0.075233 -0.094526 0.005331 0.120928 0.017092 -0.011623 0.001854 0.011556 0.067468 -0.030625 0.003483 0.027142 12.539176 14.290756 -2.830678 -1.854620 15.511892 -1.961107 7.814879 0.017905 415 N 3.684780 21.675683 25.708220 -0.229316 41.041849 0.57582276E+03 0.14394021E+05 10.210331 7.939198 -0.378810 1.883481 0.998798 29.637590 85.336330 0.596921 0.410484 -1.077589 -0.006897 -0.025702 -0.122655 0.125509 -0.017941 0.001347 -0.009533 0.021201 -0.064392 -0.025769 -0.006465 0.032234 12.050827 14.297499 -1.599265 0.328965 6.339240 1.087894 15.515741 0.037619 416 N 3.628883 0.149331 16.381953 -0.236522 41.417094 0.57240214E+03 0.14291070E+05 10.322335 7.933232 -0.359837 1.889601 0.998986 29.636419 85.356058 0.594994 0.412316 -1.076100 -0.000505 0.005519 0.124158 0.124282 0.010921 -0.002155 -0.001880 -0.032346 -0.074826 -0.025171 -0.006918 0.032089 12.337288 5.806334 0.112042 -0.130174 12.809394 0.074502 18.396136 0.043625 417 N 4.785065 1.678444 14.245235 -0.226589 41.486802 0.56476800E+03 0.14066116E+05 10.341800 7.887696 -0.498329 1.850034 0.998257 29.545988 85.246958 0.595306 0.413106 -1.074599 0.075264 0.092784 -0.026359 0.122345 -0.017175 0.016023 0.006616 -0.004733 0.060568 -0.032617 0.005873 0.026744 12.655003 14.151084 3.818817 1.778050 14.896755 -2.910596 8.917169 0.029807 418 N 9.836376 9.259170 12.254402 -0.224203 41.118127 0.56524687E+03 0.14085936E+05 10.294713 7.902059 -0.515227 1.845043 0.998194 29.571811 85.442603 0.593314 0.414261 -1.073475 -0.075228 -0.094524 0.005333 0.120924 -0.017090 0.011619 0.001861 0.011554 0.067517 -0.030632 0.003482 0.027150 12.539066 14.290653 2.830637 1.854596 15.511709 -1.961092 7.814836 0.017660 419 N 3.670070 21.675683 12.348720 -0.229301 41.040391 0.57581382E+03 0.14393737E+05 10.210295 7.939312 -0.378611 1.883564 0.998795 29.636555 85.333075 0.596897 0.410502 -1.077578 0.006891 -0.025709 -0.122656 0.125510 0.017958 -0.001354 -0.009539 0.021201 -0.064344 -0.025763 -0.006481 0.032244 12.050689 14.297806 1.599364 -0.328987 6.339333 1.087723 15.514929 0.037535 420 N 3.725967 0.149331 3.022453 -0.236483 41.415712 0.57240040E+03 0.14291057E+05 10.322452 7.933505 -0.360003 1.889579 0.998983 29.635559 85.354464 0.594950 0.412346 -1.076077 0.000497 0.005516 0.124176 0.124299 -0.010911 0.002145 -0.001867 -0.032356 -0.074836 -0.025172 -0.006916 0.032088 12.337285 5.806511 -0.112135 0.130222 12.809700 0.074419 18.395644 0.043652 421 N 9.924635 12.594444 25.833265 -0.226593 41.487076 0.56477193E+03 0.14066231E+05 10.341821 7.887707 -0.498342 1.850028 0.998257 29.546088 85.247139 0.595308 0.413104 -1.074600 -0.075262 0.092789 0.026361 0.122348 0.017174 0.016025 -0.006610 -0.004725 0.060544 -0.032612 0.005871 0.026740 12.655037 14.151132 -3.818864 1.778061 14.896810 2.910576 8.917170 0.029931 422 N 4.873324 20.175170 1.105098 -0.224168 41.115603 0.56520466E+03 0.14084735E+05 10.294737 7.902094 -0.515481 1.845009 0.998190 29.570796 85.441481 0.593271 0.414295 -1.073444 0.075233 -0.094507 -0.005339 0.120913 0.017077 0.011615 -0.001851 0.011507 0.067395 -0.030591 0.003477 0.027114 12.539092 14.290866 -2.830722 1.855077 15.511563 1.960451 7.814846 0.017859 423 N 11.039630 10.759683 1.010780 -0.229300 41.040659 0.57581833E+03 0.14393874E+05 10.210320 7.939331 -0.378618 1.883561 0.998795 29.636691 85.333459 0.596898 0.410500 -1.077579 -0.006890 -0.025710 0.122660 0.125515 -0.017959 -0.001355 0.009536 0.021224 -0.064330 -0.025759 -0.006489 0.032248 12.050734 14.297808 -1.599370 -0.328991 6.339356 -1.087731 15.515037 0.037609 424 N 10.983733 11.065331 10.337047 -0.236525 41.417626 0.57240956E+03 0.14291313E+05 10.322445 7.933296 -0.359860 1.889591 0.998986 29.636677 85.357187 0.594989 0.412317 -1.076098 -0.000505 0.005517 -0.124161 0.124284 0.010921 0.002155 0.001880 -0.032356 -0.074814 -0.025167 -0.006924 0.032092 12.337445 5.806386 0.112045 0.130173 12.809559 -0.074525 18.396389 0.043647 ****************************************************** Auxiliary information for the entire system The total spin magnetic moment of the unit cell is 5.226000 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= 541308 The rms potential error without charges in kcal/mol is= 1.88404 The rms potential error with partial charges in kcal/mol is= 0.50623 The RRMSE value at monopole order= 0.26869 The rms potential error with partial charges and cloud penetration in kcal/mol is= 0.50727 The RRMSE value at monopole order with cloud penetration is= 0.26924 The rms potential error with partial charges and atomic dipoles in kcal/mol is= 0.25616 The RRMSE value at dipole order= 0.13596 The rms potential error with partial charges, atomic dipoles and cloud penetration in kcal/mol is= 0.25614 The RRMSE value at dipole order with cloud penetration= 0.13595 ****************************************************** 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.