900 jmolscript: load "" {1 1 1} spacegroup "x,y,z" unitcell [{ 20.304900 0.000000 0.000000 }, { 0.000000 20.304900 0.000000 }, { 0.000000 0.000000 49.641000 }] Cd 14.032513 2.629485 48.742498 0.258245 Cd 6.272387 17.675415 23.921998 0.269751 Cd 2.629485 14.032513 13.308752 0.270238 Cd 17.675415 6.272387 38.129252 0.268888 Cd 16.179147 4.125753 43.435875 0.747519 Cd 4.125753 16.179147 18.615375 0.747524 Cd 17.675415 14.032513 36.332248 0.270677 Cd 2.629485 6.272387 11.511748 0.257993 Cd 6.272387 2.629485 0.898502 0.269768 Cd 14.032513 17.675415 25.719002 0.269491 Cd 16.179147 16.179147 31.025625 0.747522 Cd 4.125753 4.125753 6.205125 0.747511 H 5.949336 4.964548 45.242807 0.389091 H 6.038677 5.100591 41.832471 0.390914 H 6.572696 19.937381 3.762788 0.368815 H 8.440747 16.934287 5.440654 0.387709 H 13.618496 5.352372 42.001250 0.095799 H 11.313890 5.224451 41.872184 0.135528 H 11.352470 2.564509 44.880428 0.115495 H 13.683472 2.708674 44.930069 0.078242 H 9.352437 4.980792 45.014459 0.144974 H 10.546365 2.361460 41.365845 0.129813 H 7.027526 1.126922 39.782297 0.132138 H 5.880299 2.213234 41.455199 0.114140 H 6.227513 2.079222 45.327197 0.094596 H 5.175719 0.651787 46.771750 0.122376 H 1.602057 1.662971 45.148490 0.128075 H 2.615271 4.915816 42.011178 0.136896 H 18.737362 3.764528 41.420450 0.082602 H 0.708641 3.437620 41.420450 0.126962 H 0.643665 3.758437 45.426479 0.126748 H 18.670356 4.113773 45.317269 0.090769 H 12.566703 3.236601 1.821825 0.087778 H 11.376835 2.347246 3.539403 0.114209 H 11.248915 19.267320 1.543835 0.121953 H 12.491574 20.215558 49.556610 0.059902 H 12.905794 20.057180 4.557044 0.131308 H 12.355532 18.422636 8.255298 0.132609 H 10.065139 18.509947 7.997165 0.120777 H 8.599125 0.170561 2.869250 0.094334 H 7.898606 0.919812 7.202909 0.097783 H 7.094532 2.306637 8.865883 0.124936 H 5.594000 19.362753 10.811810 0.121827 H 6.534117 15.768785 8.012057 0.129514 H 3.825443 17.992172 10.106908 0.113716 H 6.816355 15.311925 10.459359 0.119917 H 5.520902 14.126119 11.968445 0.078997 H 14.355564 15.340352 20.422307 0.389103 H 14.266223 15.204309 17.011971 0.390923 H 13.732204 0.367519 28.583288 0.368814 H 11.864153 3.370613 30.261154 0.387661 H 6.686404 14.952528 17.180750 0.095789 H 8.991010 15.080449 17.051683 0.135558 H 8.952430 17.740391 20.059928 0.115531 H 6.621428 17.596226 20.109569 0.078313 H 10.952463 15.324108 20.193959 0.144897 H 9.758535 17.943440 16.545345 0.129710 H 13.277374 19.177978 14.961797 0.132077 H 14.424601 18.091666 16.634699 0.114111 H 14.077387 18.225678 20.506697 0.094569 H 15.129181 19.653113 21.951250 0.122358 H 18.702843 18.641929 20.327990 0.128049 H 17.689629 15.389084 17.190678 0.136878 H 1.567538 16.540372 16.599950 0.082509 H 19.596259 16.867280 16.599950 0.126872 H 19.661235 16.546463 20.605979 0.126796 H 1.634544 16.191127 20.496769 0.090787 H 7.738197 17.068299 26.642325 0.088130 H 8.928065 17.957654 28.359903 0.114387 H 9.055985 1.037580 26.364335 0.122063 H 7.813326 0.089342 24.736110 0.060465 H 7.399106 0.247720 29.377544 0.131361 H 7.949368 1.882264 33.075798 0.132643 H 10.239761 1.794953 32.817665 0.120825 H 11.705775 20.134339 27.689750 0.094277 H 12.406294 19.385088 32.023409 0.097704 H 13.210368 17.998263 33.686383 0.124856 H 14.710900 0.942147 35.632310 0.121919 H 13.770783 4.536115 32.832557 0.129489 H 16.479457 2.312728 34.927408 0.113683 H 13.488545 4.992975 35.279859 0.119904 H 14.783998 6.178781 36.788945 0.078892 H 4.964548 5.949336 16.808443 0.388832 H 5.100591 6.038677 20.218779 0.391020 H 19.937381 6.572696 8.647462 0.368082 H 16.934287 8.440747 6.969596 0.387846 H 5.352372 13.618496 20.050000 0.095793 H 5.224451 11.313890 20.179067 0.135534 H 2.564509 11.352470 17.170822 0.115587 H 2.708674 13.683472 17.121181 0.078339 H 4.980792 9.352437 17.036791 0.144939 H 2.361460 10.546365 20.685405 0.129812 H 1.126922 7.027526 22.268953 0.132123 H 2.213234 5.880299 20.596051 0.114063 H 2.079222 6.227513 16.724053 0.094788 H 0.651787 5.175719 15.279500 0.122735 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6.686404 44.870500 0.095843 H 15.080449 8.991010 44.999567 0.135552 H 17.740391 8.952430 41.991322 0.115535 H 17.596226 6.621428 41.941681 0.078351 H 15.324108 10.952463 41.857291 0.144960 H 17.943440 9.758535 45.505905 0.129774 H 19.177978 13.277374 47.089453 0.132118 H 18.091666 14.424601 45.416551 0.114145 H 18.225678 14.077387 41.544553 0.094566 H 19.653113 15.129181 40.100000 0.122334 H 18.641929 18.702843 41.723261 0.128097 H 15.389084 17.689629 44.860572 0.136965 H 16.540372 1.567538 45.451300 0.082517 H 16.867280 19.596259 45.451300 0.126894 H 16.546463 19.661235 41.445271 0.126761 H 16.191127 1.634544 41.554481 0.090789 H 17.068299 7.738197 35.408925 0.088136 H 17.957654 8.928065 33.691347 0.114379 H 1.037580 9.055985 35.686915 0.122059 H 0.089342 7.813326 37.315140 0.060500 H 0.247720 7.399106 32.673706 0.131384 H 1.882264 7.949368 28.975452 0.132627 H 1.794953 10.239761 29.233585 0.120810 H 20.134339 11.705775 34.361500 0.094325 H 19.385088 12.406294 30.027841 0.097715 H 17.998263 13.210368 28.364867 0.124872 H 0.942147 14.710900 26.418940 0.121909 H 4.536115 13.770783 29.218693 0.129493 H 2.312728 16.479457 27.123842 0.113729 H 4.992975 13.488545 26.771391 0.119900 H 6.178781 14.783998 25.262305 0.078949 H 15.340352 5.949336 32.832557 0.389122 H 15.204309 6.038677 29.422221 0.390908 H 0.367519 6.572696 40.993538 0.368771 H 3.370613 8.440747 42.671404 0.387696 H 14.952528 13.618496 29.591000 0.095812 H 15.080449 11.313890 29.461934 0.135550 H 17.740391 11.352470 32.470178 0.115562 H 17.596226 13.683472 32.519819 0.078366 H 15.324108 9.352437 32.604209 0.144934 H 17.943440 10.546365 28.955595 0.129784 H 19.177978 7.027526 27.372047 0.132115 H 18.091666 5.880299 29.044949 0.114137 H 18.225678 6.227513 32.916947 0.094561 H 19.653113 5.175719 34.361500 0.122360 H 18.641929 1.602057 32.738239 0.128075 H 15.389084 2.615271 29.600928 0.136866 H 16.540372 18.737362 29.010200 0.082563 H 16.867280 0.708641 29.010200 0.126912 H 16.546463 0.643665 33.016229 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0.131339 H 7.949368 18.422636 41.385702 0.132637 H 10.239761 18.509947 41.643835 0.120786 H 11.705775 0.170561 46.771750 0.093896 H 12.406294 0.919812 42.438091 0.097779 H 13.210368 2.306637 40.775117 0.124886 H 14.710900 19.362753 38.829190 0.121894 H 13.770783 15.768785 41.628943 0.129463 H 16.479457 17.992172 39.534092 0.113794 H 13.488545 15.311925 39.181641 0.119877 H 14.783998 14.126119 37.672555 0.078929 H 5.949336 15.340352 29.218693 0.389099 H 6.038677 15.204309 32.629029 0.390944 H 6.572696 0.367519 21.057712 0.368814 H 8.440747 3.370613 19.379846 0.387814 H 13.618496 14.952528 32.460250 0.095802 H 11.313890 15.080449 32.589317 0.135590 H 11.352470 17.740391 29.581072 0.115554 H 13.683472 17.596226 29.531431 0.078363 H 9.352437 15.324108 29.447041 0.144917 H 10.546365 17.943440 33.095655 0.129796 H 7.027526 19.177978 34.679203 0.132146 H 5.880299 18.091666 33.006301 0.114151 H 6.227513 18.225678 29.134303 0.094568 H 5.175719 19.653113 27.689750 0.122343 H 1.602057 18.641929 29.313010 0.128081 H 2.615271 15.389084 32.450322 0.136882 H 18.737362 16.540372 33.041050 0.082552 H 0.708641 16.867280 33.041050 0.126929 H 0.643665 16.546463 29.035021 0.126791 H 18.670356 16.191127 29.144231 0.090788 H 12.566703 17.068299 22.998675 0.088145 H 11.376835 17.957654 21.281097 0.114379 H 11.248915 1.037580 23.276665 0.122058 H 12.491574 0.089342 24.904890 0.060543 H 12.905794 0.247720 20.263456 0.131408 H 12.355532 1.882264 16.565202 0.132620 H 10.065139 1.794953 16.823335 0.120697 H 8.599125 20.134339 21.951250 0.094310 H 7.898606 19.385088 17.617591 0.097884 H 7.094532 17.998263 15.954617 0.125042 H 5.594000 0.942147 14.008690 0.121795 H 6.534117 4.536115 16.808443 0.129574 H 3.825443 2.312728 14.713592 0.114356 H 6.816355 4.992975 14.361141 0.120494 H 5.520902 6.178781 12.852055 0.079700 C 13.153514 4.789926 42.610842 0.093784 C 11.774812 4.720889 42.529430 -0.182249 C 11.066170 3.918846 43.409069 0.137359 C 11.797147 3.159442 44.289204 -0.192932 C 13.198185 3.254875 44.319981 0.094793 C 9.594065 3.843718 43.356946 0.028499 C 8.881363 4.493474 44.349766 -0.275922 C 7.460020 4.450834 44.398414 0.295737 C 6.753410 3.725949 43.445307 -0.150571 C 7.492508 3.015278 42.414263 0.042803 C 8.889485 3.061979 42.388946 0.038835 C 9.598126 2.339124 41.388680 -0.229584 C 8.911821 1.622362 40.477271 0.172255 C 7.496569 1.597996 40.462379 -0.154129 C 6.830568 2.259935 41.434846 -0.120138 C 5.271152 3.677217 43.468638 -0.163088 C 4.590938 2.814259 44.384515 0.050182 C 5.279274 2.014246 45.297413 -0.136636 C 4.672157 1.151288 46.141806 -0.151546 C 3.275180 1.011184 46.064366 0.178875 C 2.544204 1.774648 45.190188 -0.225139 C 3.159442 2.714765 44.356716 0.044319 C 2.446740 3.551327 43.443818 0.039862 C 3.110711 4.355401 42.595453 -0.257741 C 4.542206 4.396011 42.550776 0.302113 C 19.198283 3.788894 42.252930 0.087054 C 0.257872 3.595998 42.243002 -0.182378 C 0.962452 3.634577 43.408076 0.136174 C 0.213201 3.788894 44.580100 -0.175303 C 19.155643 3.985852 44.510106 0.089685 C 12.323044 2.318820 1.773673 0.103478 C 11.590037 1.801045 2.791810 -0.182197 C 11.159573 0.517775 2.757558 0.145587 C 11.527092 20.168857 1.653045 -0.185859 C 12.274312 0.428433 0.680082 0.081323 C 10.306767 20.227741 3.828314 0.044965 C 10.897640 19.748546 5.036576 0.029323 C 12.323044 19.758698 5.247054 -0.233487 C 12.826605 19.336356 6.433474 0.167823 C 11.977861 18.788124 7.466006 -0.153576 C 10.631646 18.804368 7.292759 -0.113313 C 10.059047 19.253106 6.079533 0.044526 C 8.651918 19.192191 5.879976 -0.101506 C 8.123990 19.630777 4.689089 0.273451 C 8.984918 20.160735 3.677405 -0.299169 C 7.778807 18.611471 6.947258 -0.127214 C 7.230575 19.425698 7.957949 0.050798 C 7.425502 0.538080 7.933128 -0.136745 C 6.958489 1.366520 8.914531 -0.164942 C 6.257970 0.781739 10.012590 0.149484 C 6.050860 19.730271 10.063720 -0.227129 C 6.487416 18.883557 9.057497 0.040795 C 6.247818 17.452062 9.020266 0.046680 C 6.727013 16.698750 8.020993 -0.272514 C 7.522965 17.263226 6.964632 0.298452 C 3.427467 16.430725 11.367293 -0.242029 C 4.186870 17.190128 10.465812 -0.167418 C 5.443744 16.792152 10.093505 0.115698 C 5.943244 15.618529 10.678772 -0.217771 C 5.163536 14.911919 11.573799 0.073628 C 7.151386 15.514974 17.790342 0.093709 C 8.530088 15.584011 17.708930 -0.182229 C 9.238729 16.386054 18.588569 0.137348 C 8.507753 17.145458 19.468704 -0.193097 C 7.106715 17.050025 19.499481 0.094268 C 10.710835 16.461182 18.536446 0.028201 C 11.423537 15.811426 19.529266 -0.276162 C 12.844880 15.854066 19.577914 0.295734 C 13.551490 16.578951 18.624807 -0.150670 C 12.812392 17.289622 17.593763 0.042800 C 11.415415 17.242921 17.568446 0.038855 C 10.706774 17.965776 16.568180 -0.229833 C 11.393079 18.682538 15.656771 0.172237 C 12.808331 18.706904 15.641879 -0.154342 C 13.474332 18.044965 16.614346 -0.120188 C 15.033748 16.627683 18.648138 -0.163123 C 15.713962 17.490641 19.564015 0.050184 C 15.025626 18.290654 20.476913 -0.136701 C 15.632743 19.153612 21.321306 -0.151647 C 17.029720 19.293716 21.243866 0.178820 C 17.760696 18.530252 20.369688 -0.225186 C 17.145458 17.590135 19.536216 0.044311 C 17.858160 16.753573 18.623318 0.039796 C 17.194189 15.949499 17.774953 -0.257802 C 15.762694 15.908889 17.730276 0.302092 C 1.106617 16.516006 17.432430 0.086874 C 20.047028 16.708902 17.422502 -0.182500 C 19.342448 16.670323 18.587576 0.136132 C 20.091699 16.516006 19.759600 -0.175197 C 1.149257 16.319048 19.689606 0.089651 C 7.981856 17.986080 26.594173 0.104128 C 8.714863 18.503855 27.612310 -0.181791 C 9.145327 19.787125 27.578058 0.145981 C 8.777808 0.136043 26.473545 -0.185685 C 8.030588 19.876467 25.500582 0.081369 C 9.998133 0.077159 28.648814 0.044765 C 9.407260 0.556354 29.857076 0.029293 C 7.981856 0.546202 30.067554 -0.233495 C 7.478295 0.968544 31.253974 0.167871 C 8.327039 1.516776 32.286506 -0.153457 C 9.673254 1.500532 32.113259 -0.113222 C 10.245853 1.051794 30.900033 0.044528 C 11.652982 1.112709 30.700476 -0.101268 C 12.180910 0.674123 29.509589 0.273408 C 11.319982 0.144165 28.497905 -0.299122 C 12.526093 1.693429 31.767758 -0.127362 C 13.074325 0.879202 32.778449 0.050756 C 12.879398 19.766820 32.753628 -0.136919 C 13.346411 18.938380 33.735031 -0.165035 C 14.046930 19.523161 34.833090 0.149325 C 14.254040 0.574629 34.884220 -0.227043 C 13.817484 1.421343 33.877997 0.040790 C 14.057082 2.852838 33.840766 0.046718 C 13.577887 3.606150 32.841493 -0.272608 C 12.781935 3.041674 31.785132 0.298399 C 16.877433 3.874175 36.187793 -0.241458 C 16.118030 3.114772 35.286312 -0.167661 C 14.861156 3.512748 34.914005 0.115631 C 14.361656 4.686371 35.499272 -0.217925 C 15.141364 5.392981 36.394299 0.073498 C 4.789926 13.153514 19.440408 0.093758 C 4.720889 11.774812 19.521820 -0.182220 C 3.918846 11.066170 18.642181 0.137275 C 3.159442 11.797147 17.762046 -0.192982 C 3.254875 13.198185 17.731269 0.094353 C 3.843718 9.594065 18.694304 0.028372 C 4.493474 8.881363 17.701484 -0.276279 C 4.450834 7.460020 17.652836 0.295738 C 3.725949 6.753410 18.605943 -0.151114 C 3.015278 7.492508 19.636987 0.042843 C 3.061979 8.889485 19.662304 0.038901 C 2.339124 9.598126 20.662570 -0.229693 C 1.622362 8.911821 21.573979 0.172265 C 1.597996 7.496569 21.588871 -0.154208 C 2.259935 6.830568 20.616404 -0.120428 C 3.677217 5.271152 18.582612 -0.162763 C 2.814259 4.590938 17.666735 0.049945 C 2.014246 5.279274 16.753837 -0.136143 C 1.151288 4.672157 15.909444 -0.151847 C 1.011184 3.275180 15.986884 0.178152 C 1.774648 2.544204 16.861062 -0.225019 C 2.714765 3.159442 17.694534 0.044225 C 3.551327 2.446740 18.607432 0.039965 C 4.355401 3.110711 19.455797 -0.257310 C 4.396011 4.542206 19.500474 0.302165 C 3.788894 19.198283 19.798320 0.087088 C 3.595998 0.257872 19.808248 -0.182360 C 3.634577 0.962452 18.643174 0.135772 C 3.788894 0.213201 17.471150 -0.175535 C 3.985852 19.155643 17.541144 0.089591 C 2.318820 12.323044 10.636577 0.104139 C 1.801045 11.590037 9.618440 -0.181794 C 0.517775 11.159573 9.652692 0.146132 C 20.168857 11.527092 10.757205 -0.185521 C 0.428433 12.274312 11.730168 0.081428 C 20.227741 10.306767 8.581936 0.044777 C 19.748546 10.897640 7.373674 0.029318 C 19.758698 12.323044 7.163196 -0.233439 C 19.336356 12.826605 5.976776 0.167865 C 18.788124 11.977861 4.944244 -0.153540 C 18.804368 10.631646 5.117491 -0.113498 C 19.253106 10.059047 6.330717 0.044492 C 19.192191 8.651918 6.530274 -0.101894 C 19.630777 8.123990 7.721161 0.273609 C 20.160735 8.984918 8.732845 -0.298598 C 18.611471 7.778807 5.462992 -0.126315 C 19.425698 7.230575 4.452301 0.050740 C 0.538080 7.425502 4.477122 -0.136326 C 1.366520 6.958489 3.495719 -0.164582 C 0.781739 6.257970 2.397660 0.149573 C 19.730271 6.050860 2.346530 -0.227299 C 18.883557 6.487416 3.352753 0.040764 C 17.452062 6.247818 3.389984 0.046403 C 16.698750 6.727013 4.389257 -0.271993 C 17.263226 7.522965 5.445618 0.298366 C 16.430725 3.427467 1.042957 -0.225400 C 17.190128 4.186870 1.944438 -0.170079 C 16.792152 5.443744 2.316745 0.116671 C 15.618529 5.943244 1.731478 -0.217109 C 14.911919 5.163536 0.836451 0.074756 C 15.514974 7.151386 44.260908 0.093899 C 15.584011 8.530088 44.342320 -0.182232 C 16.386054 9.238729 43.462681 0.137381 C 17.145458 8.507753 42.582546 -0.193033 C 17.050025 7.106715 42.551769 0.094447 C 16.461182 10.710835 43.514804 0.028331 C 15.811426 11.423537 42.521984 -0.276082 C 15.854066 12.844880 42.473336 0.295750 C 16.578951 13.551490 43.426443 -0.150620 C 17.289622 12.812392 44.457487 0.042809 C 17.242921 11.415415 44.482804 0.038850 C 17.965776 10.706774 45.483070 -0.229718 C 18.682538 11.393079 46.394479 0.172240 C 18.706904 12.808331 46.409371 -0.154241 C 18.044965 13.474332 45.436904 -0.120167 C 16.627683 15.033748 43.403112 -0.163093 C 17.490641 15.713962 42.487235 0.050150 C 18.290654 15.025626 41.574338 -0.136652 C 19.153612 15.632743 40.729944 -0.151668 C 19.293716 17.029720 40.807384 0.178786 C 18.530252 17.760696 41.681562 -0.225043 C 17.590135 17.145458 42.515034 0.044292 C 16.753573 17.858160 43.427932 0.039916 C 15.949499 17.194189 44.276297 -0.257623 C 15.908889 15.762694 44.320974 0.302125 C 16.516006 1.106617 44.618820 0.087184 C 16.708902 20.047028 44.628748 -0.182372 C 16.670323 19.342448 43.463674 0.136122 C 16.516006 20.091699 42.291650 -0.175245 C 16.319048 1.149257 42.361644 0.089703 C 17.986080 7.981856 35.457077 0.104149 C 18.503855 8.714863 34.438940 -0.181837 C 19.787125 9.145327 34.473192 0.145911 C 0.136043 8.777808 35.577705 -0.185717 C 19.876467 8.030588 36.550668 0.081415 C 0.077159 9.998133 33.402436 0.044829 C 0.556354 9.407260 32.194174 0.029302 C 0.546202 7.981856 31.983696 -0.233445 C 0.968544 7.478295 30.797276 0.167874 C 1.516776 8.327039 29.764744 -0.153444 C 1.500532 9.673254 29.937991 -0.113254 C 1.051794 10.245853 31.151217 0.044532 C 1.112709 11.652982 31.350774 -0.101299 C 0.674123 12.180910 32.541661 0.273394 C 0.144165 11.319982 33.553345 -0.299145 C 1.693429 12.526093 30.283492 -0.127296 C 0.879202 13.074325 29.272801 0.050752 C 19.766820 12.879398 29.297622 -0.136888 C 18.938380 13.346411 28.316219 -0.164980 C 19.523161 14.046930 27.218160 0.149327 C 0.574629 14.254040 27.167030 -0.227076 C 1.421343 13.817484 28.173253 0.040790 C 2.852838 14.057082 28.210484 0.046685 C 3.606150 13.577887 29.209757 -0.272568 C 3.041674 12.781935 30.266118 0.298393 C 3.874175 16.877433 25.863457 -0.241489 C 3.114772 16.118030 26.764938 -0.167426 C 3.512748 14.861156 27.137245 0.115720 C 4.686371 14.361656 26.551978 -0.217767 C 5.392981 15.141364 25.656951 0.073580 C 15.514974 13.153514 30.200592 0.093817 C 15.584011 11.774812 30.119180 -0.182129 C 16.386054 11.066170 30.998819 0.137400 C 17.145458 11.797147 31.878954 -0.192994 C 17.050025 13.198185 31.909731 0.094397 C 16.461182 9.594065 30.946696 0.028280 C 15.811426 8.881363 31.939516 -0.276080 C 15.854066 7.460020 31.988164 0.295741 C 16.578951 6.753410 31.035057 -0.150574 C 17.289622 7.492508 30.004013 0.042801 C 17.242921 8.889485 29.978696 0.038841 C 17.965776 9.598126 28.978430 -0.229711 C 18.682538 8.911821 28.067021 0.172242 C 18.706904 7.496569 28.052129 -0.154216 C 18.044965 6.830568 29.024596 -0.120156 C 16.627683 5.271152 31.058388 -0.163102 C 17.490641 4.590938 31.974265 0.050184 C 18.290654 5.279274 32.887163 -0.136721 C 19.153612 4.672157 33.731556 -0.151568 C 19.293716 3.275180 33.654116 0.178884 C 18.530252 2.544204 32.779938 -0.225160 C 17.590135 3.159442 31.946466 0.044318 C 16.753573 2.446740 31.033568 0.039844 C 15.949499 3.110711 30.185203 -0.257773 C 15.908889 4.542206 30.140526 0.302100 C 16.516006 19.198283 29.842680 0.086987 C 16.708902 0.257872 29.832752 -0.182394 C 16.670323 0.962452 30.997826 0.136198 C 16.516006 0.213201 32.169850 -0.175161 C 16.319048 19.155643 32.099856 0.089694 C 17.986080 12.323044 39.004423 0.104129 C 18.503855 11.590037 40.022560 -0.181781 C 19.787125 11.159573 39.988308 0.145983 C 0.136043 11.527092 38.883795 -0.185633 C 19.876467 12.274312 37.910832 0.081400 C 0.077159 10.306767 41.059064 0.044770 C 0.556354 10.897640 42.267326 0.029307 C 0.546202 12.323044 42.477804 -0.233474 C 0.968544 12.826605 43.664224 0.167876 C 1.516776 11.977861 44.696756 -0.153464 C 1.500532 10.631646 44.523509 -0.113277 C 1.051794 10.059047 43.310283 0.044527 C 1.112709 8.651918 43.110726 -0.101366 C 0.674123 8.123990 41.919839 0.273443 C 0.144165 8.984918 40.908155 -0.299062 C 1.693429 7.778807 44.178008 -0.127292 C 0.879202 7.230575 45.188699 0.050803 C 19.766820 7.425502 45.163878 -0.136776 C 18.938380 6.958489 46.145281 -0.164940 C 19.523161 6.257970 47.243340 0.149485 C 0.574629 6.050860 47.294470 -0.227105 C 1.421343 6.487416 46.288247 0.040796 C 2.852838 6.247818 46.251016 0.046709 C 3.606150 6.727013 45.251743 -0.272534 C 3.041674 7.522965 44.195382 0.298458 C 3.874175 3.427467 48.598043 -0.242124 C 3.114772 4.186870 47.696562 -0.167525 C 3.512748 5.443744 47.324255 0.115637 C 4.686371 5.943244 47.909522 -0.217842 C 5.392981 5.163536 48.804549 0.073588 C 4.789926 7.151386 5.380092 0.093666 C 4.720889 8.530088 5.298680 -0.182326 C 3.918846 9.238729 6.178319 0.137309 C 3.159442 8.507753 7.058454 -0.193030 C 3.254875 7.106715 7.089231 0.094633 C 3.843718 10.710835 6.126196 0.028404 C 4.493474 11.423537 7.119016 -0.276004 C 4.450834 12.844880 7.167664 0.295735 C 3.725949 13.551490 6.214557 -0.150661 C 3.015278 12.812392 5.183513 0.042805 C 3.061979 11.415415 5.158196 0.038848 C 2.339124 10.706774 4.157930 -0.229722 C 1.622362 11.393079 3.246521 0.172247 C 1.597996 12.808331 3.231629 -0.154255 C 2.259935 13.474332 4.204096 -0.120168 C 3.677217 15.033748 6.237888 -0.163109 C 2.814259 15.713962 7.153765 0.050177 C 2.014246 15.025626 8.066662 -0.136637 C 1.151288 15.632743 8.911056 -0.151617 C 1.011184 17.029720 8.833616 0.178818 C 1.774648 17.760696 7.959438 -0.225188 C 2.714765 17.145458 7.125966 0.044306 C 3.551327 17.858160 6.213068 0.039806 C 4.355401 17.194189 5.364703 -0.257776 C 4.396011 15.762694 5.320026 0.302102 C 3.788894 1.106617 5.022180 0.086917 C 3.595998 20.047028 5.012252 -0.182477 C 3.634577 19.342448 6.177326 0.136119 C 3.788894 20.091699 7.349350 -0.175317 C 3.985852 1.149257 7.279356 0.089637 C 2.318820 7.981856 14.183923 0.103484 C 1.801045 8.714863 15.202060 -0.182181 C 0.517775 9.145327 15.167808 0.145608 C 20.168857 8.777808 14.063295 -0.185869 C 0.428433 8.030588 13.090332 0.081286 C 20.227741 9.998133 16.238564 0.044929 C 19.748546 9.407260 17.446826 0.029316 C 19.758698 7.981856 17.657304 -0.233530 C 19.336356 7.478295 18.843724 0.167823 C 18.788124 8.327039 19.876256 -0.153562 C 18.804368 9.673254 19.703009 -0.113262 C 19.253106 10.245853 18.489783 0.044530 C 19.192191 11.652982 18.290226 -0.101411 C 19.630777 12.180910 17.099339 0.273423 C 20.160735 11.319982 16.087655 -0.299198 C 18.611471 12.526093 19.357508 -0.127280 C 19.425698 13.074325 20.368199 0.050757 C 0.538080 12.879398 20.343378 -0.136876 C 1.366520 13.346411 21.324781 -0.164998 C 0.781739 14.046930 22.422840 0.149322 C 19.730271 14.254040 22.473970 -0.227068 C 18.883557 13.817484 21.467747 0.040796 C 17.452062 14.057082 21.430516 0.046690 C 16.698750 13.577887 20.431243 -0.272587 C 17.263226 12.781935 19.374882 0.298394 C 16.430725 16.877433 23.777543 -0.241883 C 17.190128 16.118030 22.876062 -0.167369 C 16.792152 14.861156 22.503755 0.115698 C 15.618529 14.361656 23.089022 -0.217779 C 14.911919 15.141364 23.984049 0.073552 C 7.151386 4.789926 7.030158 0.093837 C 8.530088 4.720889 7.111570 -0.182306 C 9.238729 3.918846 6.231931 0.137270 C 8.507753 3.159442 5.351796 -0.193011 C 7.106715 3.254875 5.321019 0.094334 C 10.710835 3.843718 6.284054 0.028385 C 11.423537 4.493474 5.291234 -0.276226 C 12.844880 4.450834 5.242586 0.295765 C 13.551490 3.725949 6.195693 -0.151092 C 12.812392 3.015278 7.226737 0.042849 C 11.415415 3.061979 7.252054 0.038904 C 10.706774 2.339124 8.252320 -0.229710 C 11.393079 1.622362 9.163729 0.172257 C 12.808331 1.597996 9.178621 -0.154266 C 13.474332 2.259935 8.206154 -0.120402 C 15.033748 3.677217 6.172362 -0.162783 C 15.713962 2.814259 5.256485 0.049931 C 15.025626 2.014246 4.343587 -0.136155 C 15.632743 1.151288 3.499194 -0.151844 C 17.029720 1.011184 3.576634 0.178135 C 17.760696 1.774648 4.450812 -0.225009 C 17.145458 2.714765 5.284284 0.044206 C 17.858160 3.551327 6.197182 0.040012 C 17.194189 4.355401 7.045547 -0.257239 C 15.762694 4.396011 7.090224 0.302168 C 1.106617 3.788894 7.388070 0.087273 C 20.047028 3.595998 7.397998 -0.182349 C 19.342448 3.634577 6.232924 0.135765 C 20.091699 3.788894 5.060900 -0.175568 C 1.149257 3.985852 5.130894 0.089586 C 7.981856 2.318820 47.867327 0.104146 C 8.714863 1.801045 46.849190 -0.181783 C 9.145327 0.517775 46.883442 0.146239 C 8.777808 20.168857 47.987955 -0.185498 C 8.030588 0.428433 48.960918 0.081470 C 9.998133 20.227741 45.812686 0.044674 C 9.407260 19.748546 44.604424 0.029272 C 7.981856 19.758698 44.393946 -0.233510 C 7.478295 19.336356 43.207526 0.167839 C 8.327039 18.788124 42.174994 -0.153570 C 9.673254 18.804368 42.348241 -0.113247 C 10.245853 19.253106 43.561467 0.044480 C 11.652982 19.192191 43.761024 -0.101445 C 12.180910 19.630777 44.951911 0.273558 C 11.319982 20.160735 45.963595 -0.298569 C 12.526093 18.611471 42.693742 -0.127120 C 13.074325 19.425698 41.683051 0.050749 C 12.879398 0.538080 41.707872 -0.136788 C 13.346411 1.366520 40.726469 -0.164965 C 14.046930 0.781739 39.628410 0.149343 C 14.254040 19.730271 39.577280 -0.227126 C 13.817484 18.883557 40.583503 0.040776 C 14.057082 17.452062 40.620734 0.046619 C 13.577887 16.698750 41.620007 -0.272552 C 12.781935 17.263226 42.676368 0.298377 C 16.877433 16.430725 38.273707 -0.240987 C 16.118030 17.190128 39.175188 -0.167345 C 14.861156 16.792152 39.547495 0.115832 C 14.361656 15.618529 38.962228 -0.217640 C 15.141364 14.911919 38.067201 0.073674 C 13.153514 15.514974 31.850658 0.093803 C 11.774812 15.584011 31.932070 -0.182148 C 11.066170 16.386054 31.052431 0.137395 C 11.797147 17.145458 30.172296 -0.192983 C 13.198185 17.050025 30.141519 0.094454 C 9.594065 16.461182 31.104554 0.028304 C 8.881363 15.811426 30.111734 -0.276111 C 7.460020 15.854066 30.063086 0.295728 C 6.753410 16.578951 31.016193 -0.150617 C 7.492508 17.289622 32.047237 0.042803 C 8.889485 17.242921 32.072554 0.038845 C 9.598126 17.965776 33.072820 -0.229688 C 8.911821 18.682538 33.984229 0.172250 C 7.496569 18.706904 33.999121 -0.154178 C 6.830568 18.044965 33.026654 -0.120180 C 5.271152 16.627683 30.992862 -0.163076 C 4.590938 17.490641 30.076985 0.050172 C 5.279274 18.290654 29.164088 -0.136664 C 4.672157 19.153612 28.319694 -0.151626 C 3.275180 19.293716 28.397134 0.178841 C 2.544204 18.530252 29.271312 -0.225091 C 3.159442 17.590135 30.104784 0.044315 C 2.446740 16.753573 31.017682 0.039857 C 3.110711 15.949499 31.866047 -0.257733 C 4.542206 15.908889 31.910724 0.302111 C 19.198283 16.516006 32.208570 0.086988 C 0.257872 16.708902 32.218498 -0.182389 C 0.962452 16.670323 31.053424 0.136167 C 0.213201 16.516006 29.881400 -0.175185 C 19.155643 16.319048 29.951394 0.089709 C 12.323044 17.986080 23.046827 0.104130 C 11.590037 18.503855 22.028690 -0.181839 C 11.159573 19.787125 22.062942 0.145824 C 11.527092 0.136043 23.167455 -0.185714 C 12.274312 19.876467 24.140418 0.081373 C 10.306767 0.077159 20.992186 0.044924 C 10.897640 0.556354 19.783924 0.029345 C 12.323044 0.546202 19.573446 -0.233390 C 12.826605 0.968544 18.387026 0.167896 C 11.977861 1.516776 17.354494 -0.153439 C 10.631646 1.500532 17.527741 -0.113520 C 10.059047 1.051794 18.740967 0.044544 C 8.651918 1.112709 18.940524 -0.101786 C 8.123990 0.674123 20.131411 0.273464 C 8.984918 0.144165 21.143095 -0.299147 C 7.778807 1.693429 17.873242 -0.126424 C 7.230575 0.879202 16.862551 0.050739 C 7.425502 19.766820 16.887372 -0.136403 C 6.958489 18.938380 15.905969 -0.164568 C 6.257970 19.523161 14.807910 0.149576 C 6.050860 0.574629 14.756780 -0.227263 C 6.487416 1.421343 15.763003 0.040775 C 6.247818 2.852838 15.800234 0.046440 C 6.727013 3.606150 16.799507 -0.271981 C 7.522965 3.041674 17.855868 0.298376 C 3.427467 3.874175 13.453207 -0.225688 C 4.186870 3.114772 14.354688 -0.170037 C 5.443744 3.512748 14.726995 0.116636 C 5.943244 4.686371 14.141728 -0.217127 C 5.163536 5.392981 13.246701 0.074752 N 13.871699 4.083315 43.525725 -0.223746 N 18.491672 4.002096 43.354464 -0.232838 N 12.706806 1.644697 0.746104 -0.183267 N 3.912754 15.299742 11.903912 -0.167085 N 15.590102 4.168596 46.669986 0.787722 N 6.433201 16.221585 18.705225 -0.223931 N 1.813228 16.302804 18.533964 -0.232977 N 7.598094 18.660203 25.566604 -0.183596 N 16.392146 5.005158 36.724412 -0.167023 N 4.714798 16.136304 21.849486 0.788065 N 4.083315 13.871699 18.525525 -0.223936 N 4.002096 18.491672 18.696786 -0.232860 N 1.644697 12.706806 11.664146 -0.183604 N 15.299742 3.912754 0.506338 -0.166867 N 4.168596 15.590102 15.381264 0.788041 N 16.221585 6.433201 43.346025 -0.223735 N 16.302804 1.813228 43.517286 -0.232812 N 18.660203 7.598094 36.484646 -0.183527 N 5.005158 16.392146 25.326838 -0.167135 N 16.136304 4.714798 40.201764 0.788056 N 16.221585 13.871699 31.115475 -0.223858 N 16.302804 18.491672 30.944214 -0.232940 N 18.660203 12.706806 37.976854 -0.183696 N 5.005158 3.912754 49.134662 -0.167049 N 16.136304 15.590102 34.259736 0.788065 N 4.083315 6.433201 6.294975 -0.223838 N 4.002096 1.813228 6.123714 -0.232894 N 1.644697 7.598094 13.156354 -0.183241 N 15.299742 16.392146 24.314162 -0.166990 N 4.168596 4.714798 9.439236 0.787727 N 6.433201 4.083315 6.115275 -0.223833 N 1.813228 4.002096 6.286536 -0.232746 N 7.598094 1.644697 48.894896 -0.183533 N 16.392146 15.299742 37.737088 -0.167343 N 4.714798 4.168596 2.971014 0.788034 N 13.871699 16.221585 30.935775 -0.223855 N 18.491672 16.302804 31.107036 -0.232937 N 12.706806 18.660203 24.074396 -0.183602 N 3.912754 5.005158 12.916588 -0.166778 N 15.590102 16.136304 27.791514 0.788059 Cl 9.757520 0.726915 39.234757 -0.110508 Cl 2.481665 20.205812 47.140086 -0.135081 Cl 14.542369 19.374936 6.709478 -0.096643 Cl 5.665879 1.843888 11.248154 -0.068674 Cl 10.547380 19.577985 14.414257 -0.110839 Cl 17.823235 0.099088 22.319586 -0.135012 Cl 5.762531 0.929964 31.529978 -0.096337 Cl 14.639021 18.461012 36.068654 -0.067839 Cl 0.726915 9.757520 22.816493 -0.110509 Cl 20.205812 2.481665 14.911164 -0.134052 Cl 19.374936 14.542369 5.700772 -0.096452 Cl 1.843888 5.665879 1.162096 -0.067232 Cl 19.577985 10.547380 47.636993 -0.110721 Cl 0.099088 17.823235 39.731664 -0.135105 Cl 0.929964 5.762531 30.521272 -0.096338 Cl 18.461012 14.639021 25.982596 -0.067689 Cl 19.577985 9.757520 26.824507 -0.110621 Cl 0.099088 2.481665 34.729836 -0.134949 Cl 0.929964 14.542369 43.940228 -0.096316 Cl 18.461012 5.665879 48.478904 -0.068668 Cl 0.726915 10.547380 2.004007 -0.110773 Cl 20.205812 17.823235 9.909336 -0.135200 Cl 19.374936 5.762531 19.119728 -0.096627 Cl 1.843888 14.639021 23.658404 -0.067711 Cl 10.547380 0.726915 10.406243 -0.110676 Cl 17.823235 20.205812 2.500914 -0.134036 Cl 5.762531 19.374936 42.931522 -0.096483 Cl 14.639021 1.843888 38.392846 -0.067691 Cl 9.757520 19.577985 35.226743 -0.110506 Cl 2.481665 0.099088 27.321414 -0.135029 Cl 14.542369 0.929964 18.111022 -0.096343 Cl 5.665879 18.461012 13.572346 -0.067241 O 6.771684 5.084347 45.360457 -0.481832 O 5.212268 5.212268 41.728225 -0.480004 O 6.767623 19.569863 4.494000 -0.474491 O 8.032618 16.467274 6.008050 -0.477927 O 14.769784 4.988914 47.128669 -0.495920 O 15.514974 3.041674 47.034848 -0.419787 O 16.339353 4.562511 45.745671 -0.505857 O 13.533216 15.220553 20.539957 -0.481854 O 15.092632 15.092632 16.907725 -0.480033 O 13.537277 0.735037 29.314500 -0.474456 O 12.272282 3.837626 30.828550 -0.478002 O 5.535116 15.315986 22.308169 -0.495283 O 4.789926 17.263226 22.214347 -0.419701 O 3.965547 15.742389 20.925171 -0.505090 O 5.084347 6.771684 16.690793 -0.482089 O 5.212268 5.212268 20.323025 -0.479810 O 19.569863 6.767623 7.916250 -0.474460 O 16.467274 8.032618 6.402200 -0.477845 O 4.988914 14.769784 14.922581 -0.495297 O 3.041674 15.514974 15.016402 -0.419661 O 4.562511 16.339353 16.305579 -0.505201 O 15.220553 13.533216 41.511293 -0.481850 O 15.092632 15.092632 45.143525 -0.479974 O 0.735037 13.537277 32.736750 -0.474469 O 3.837626 12.272282 31.222700 -0.477973 O 15.315986 5.535116 39.743081 -0.495377 O 17.263226 4.789926 39.836903 -0.419588 O 15.742389 3.965547 41.126079 -0.505166 O 15.220553 6.771684 32.950207 -0.481827 O 15.092632 5.212268 29.317975 -0.480041 O 0.735037 6.767623 41.724750 -0.474448 O 3.837626 8.032618 43.238800 -0.477912 O 15.315986 14.769784 34.718419 -0.495306 O 17.263226 15.514974 34.624598 -0.419669 O 15.742389 16.339353 33.335421 -0.504973 O 5.084347 13.533216 8.129707 -0.481853 O 5.212268 15.092632 4.497475 -0.479999 O 19.569863 13.537277 16.904250 -0.474475 O 16.467274 12.272282 18.418300 -0.477996 O 4.988914 5.535116 9.897919 -0.495863 O 3.041674 4.789926 9.804097 -0.419853 O 4.562511 3.965547 8.514921 -0.505856 O 13.533216 5.084347 4.280543 -0.482048 O 15.092632 5.212268 7.912775 -0.479797 O 13.537277 19.569863 45.147000 -0.474323 O 12.272282 16.467274 43.632950 -0.478013 O 5.535116 4.988914 2.512331 -0.495305 O 4.789926 3.041674 2.606152 -0.419662 O 3.965547 4.562511 3.895329 -0.505222 O 6.771684 15.220553 29.101043 -0.481872 O 5.212268 15.092632 32.733275 -0.480000 O 6.767623 0.735037 20.326500 -0.474610 O 8.032618 3.837626 18.812450 -0.477804 O 14.769784 15.315986 27.332831 -0.495312 O 15.514974 17.263226 27.426652 -0.419558 O 16.339353 15.742389 28.715829 -0.505104 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 Cd 14.032513 2.629485 48.742498 0.258245 413.281524 0.10469644E+05 0.50399394E+06 43.274555 33.257583 0.138314 1.629995 0.999456 110.972723 353.019237 0.321168 0.396169 -1.165783 0.366322 0.184982 0.252652 0.481916 -0.276403 -0.382189 -0.336868 -0.037750 -0.199153 -0.672131 0.307979 0.364152 60.231999 56.417162 22.532795 -12.988576 36.594388 -7.797839 87.684447 0.555427 2 Cd 6.272387 17.675415 23.921998 0.269751 409.148824 0.10336490E+05 0.49593563E+06 42.993264 33.041227 0.141690 1.632971 0.999480 110.392496 350.455542 0.322317 0.396069 -1.165995 -0.360192 -0.178648 0.244743 0.470694 -0.277269 0.374510 0.328942 -0.039776 -0.204847 -0.662072 0.309219 0.352853 59.845867 56.081722 22.398254 12.816140 36.361959 7.691143 87.093919 0.563055 3 Cd 2.629485 14.032513 13.308752 0.270238 408.931925 0.10329101E+05 0.49548822E+06 42.977871 33.028604 0.142374 1.633256 0.999482 110.362949 350.319056 0.322393 0.396049 -1.166019 0.178549 0.359533 -0.244337 0.469941 -0.277059 0.328229 0.374070 0.039585 -0.204994 -0.661158 0.308878 0.352280 59.826965 36.347816 22.390311 7.686990 56.064527 12.815300 87.068551 0.564095 4 Cd 17.675415 6.272387 38.129252 0.268888 409.507370 0.10348257E+05 0.49664500E+06 43.017289 33.059990 0.141505 1.632742 0.999478 110.444335 350.679540 0.322224 0.396068 -1.165987 -0.178038 -0.361759 -0.245436 0.472023 -0.276775 -0.329250 -0.375213 0.040917 -0.203603 -0.662484 0.308780 0.353704 59.879496 36.383218 22.409945 -7.699139 56.108492 -12.827969 87.146779 0.561731 5 Cd 16.179147 4.125753 43.435875 0.747519 191.568085 0.43712066E+04 0.16668190E+06 26.353370 21.497907 1.267222 2.073585 0.996118 81.854426 220.903149 0.405132 0.396481 -1.182785 -0.004056 0.003959 0.000074 0.005668 0.026841 0.041287 0.041282 0.000049 0.694193 -0.142540 -0.099170 0.241710 36.363868 41.933393 7.244447 2.947586 41.927510 2.949854 25.230700 0.003399 6 Cd 4.125753 16.179147 18.615375 0.747524 191.577189 0.43713752E+04 0.16669022E+06 26.354285 21.498464 1.267068 2.073531 0.996120 81.855593 220.908753 0.405122 0.396486 -1.182779 0.003979 -0.004032 0.000014 0.005665 0.026800 -0.041340 -0.041338 -0.000029 0.694627 -0.142571 -0.099302 0.241873 36.364385 41.935166 7.241975 -2.952268 41.929065 -2.951757 25.228924 0.003430 7 Cd 17.675415 14.032513 36.332248 0.270677 408.659656 0.10321193E+05 0.49501024E+06 42.959152 33.015750 0.142570 1.633423 0.999483 110.328825 350.166916 0.322462 0.396044 -1.166032 -0.178456 0.359262 0.243882 0.469462 0.277682 0.327777 -0.373883 0.040562 -0.205648 -0.661140 0.309602 0.351538 59.798208 36.333242 -22.379716 7.680047 56.037455 -12.803322 87.023927 0.564568 8 Cd 2.629485 6.272387 11.511748 0.257993 413.478156 0.10475555E+05 0.50435375E+06 43.288510 33.267613 0.137798 1.629780 0.999455 110.996361 353.130274 0.321107 0.396185 -1.165762 0.185325 -0.366346 0.252919 0.482206 0.276249 -0.337525 0.382305 0.036725 -0.198855 -0.672521 0.307759 0.364762 60.251936 36.606373 -22.541273 -7.803308 56.436717 12.993842 87.712717 0.554894 9 Cd 6.272387 2.629485 0.898502 0.269768 409.071629 0.10333619E+05 0.49576047E+06 42.987342 33.035874 0.142278 1.633162 0.999481 110.382596 350.404138 0.322356 0.396050 -1.166015 -0.360068 0.178407 -0.244660 0.470464 0.277032 -0.374222 0.328576 -0.039466 -0.204982 -0.661479 0.308910 0.352568 59.841268 56.075961 -22.395435 -12.822689 36.356678 7.693490 87.091165 0.563175 10 Cd 14.032513 17.675415 25.719002 0.269491 409.169766 0.10337313E+05 0.49598399E+06 42.994018 33.042028 0.142021 1.633039 0.999481 110.398215 350.474518 0.322321 0.396056 -1.166007 0.360519 -0.178154 -0.244620 0.470693 0.276980 0.374683 -0.328412 -0.041015 -0.204129 -0.661686 0.308904 0.352782 59.846135 56.081188 -22.397945 12.812966 36.362425 -7.687286 87.094792 0.562325 11 Cd 16.179147 16.179147 31.025625 0.747522 191.583245 0.43716477E+04 0.16670295E+06 26.354637 21.499011 1.266997 2.073509 0.996120 81.855929 220.910080 0.405121 0.396482 -1.182785 -0.003988 -0.003971 -0.000019 0.005627 -0.026797 -0.041392 0.041391 0.000012 0.694543 -0.142555 -0.099317 0.241872 36.364070 41.931214 -7.241710 -2.953780 41.931603 2.954324 25.229393 0.003451 12 Cd 4.125753 4.125753 6.205125 0.747511 191.564389 0.43709964E+04 0.16667215E+06 26.353221 21.497510 1.267258 2.073596 0.996119 81.854391 220.903028 0.405132 0.396485 -1.182780 0.004002 0.004057 0.000106 0.005700 -0.026840 0.041244 -0.041248 -0.000028 0.694360 -0.142567 -0.099177 0.241744 36.364334 41.925790 -7.244420 2.948444 41.937385 -2.946085 25.229826 0.003373 13 H 5.949336 4.964548 45.242807 0.389091 0.445590 0.26417622E+01 0.20440677E+02 1.114317 1.065617 -1.500541 2.312419 0.997714 2.570460 7.255113 0.491094 1.611907 -0.643628 -0.022885 -0.000299 0.003352 0.023131 -0.004168 -0.009414 0.001813 0.012740 -0.009538 -0.008630 -0.005764 0.014394 1.178490 1.568118 -0.125076 -0.081465 0.981902 0.056287 0.985449 0.000014 14 H 6.038677 5.100591 41.832471 0.390914 0.533763 0.32529059E+01 0.25767208E+02 1.135909 1.092281 -1.216582 2.452713 0.999979 2.253810 5.863314 0.562188 1.375400 -0.689070 0.026456 0.006270 -0.006145 0.027874 0.013005 -0.013453 -0.007418 0.014699 -0.019913 -0.014006 -0.011572 0.025578 1.166890 1.542169 -0.080473 -0.029986 0.989538 -0.045485 0.968963 -0.000002 15 H 6.572696 19.937381 3.762788 0.368815 0.826019 0.59203741E+01 0.55894791E+02 1.665912 1.587587 -1.875914 2.117356 0.992143 3.102417 9.586193 0.406375 1.596458 -0.646955 -0.008789 0.002812 -0.012383 0.015443 0.001616 -0.000870 0.008923 0.031489 -0.035433 -0.019874 -0.001864 0.021738 1.712015 1.758857 -0.081903 0.220794 1.475256 -0.288596 1.901932 0.018333 16 H 8.440747 16.934287 5.440654 0.387709 0.540923 0.33329662E+01 0.26527235E+02 1.143157 1.104051 -1.197048 2.461921 0.999994 2.239703 5.815296 0.561134 1.371446 -0.690479 0.014307 0.004577 -0.025306 0.029428 -0.004161 -0.015741 0.005814 0.007066 0.043421 -0.013236 -0.011742 0.024978 1.163525 1.138245 0.150133 -0.237516 1.123519 -0.131879 1.228811 -0.000135 17 H 13.618496 5.352372 42.001250 0.095799 1.453599 0.10689634E+02 0.11222310E+03 2.072613 1.871780 -1.362267 2.220196 0.993268 3.813191 10.846838 0.474689 1.229074 -0.719988 0.017468 0.029554 -0.036734 0.050278 0.002748 0.007177 -0.019747 -0.001570 -0.010208 -0.022657 0.002766 0.019891 2.258997 2.504733 0.652522 -0.578845 2.173951 -0.467946 2.098306 0.000123 18 H 11.313890 5.224451 41.872184 0.135528 1.118664 0.83393017E+01 0.80995112E+02 1.659940 1.600473 -0.837780 2.493322 0.999521 3.093922 8.041041 0.547493 1.151856 -0.743365 -0.017284 0.018656 -0.029018 0.038586 0.000148 0.002597 -0.015400 0.010347 0.006919 -0.018133 0.003767 0.014366 1.653787 1.730612 -0.134355 0.213596 1.583786 -0.286810 1.646963 0.000043 19 H 11.352470 2.564509 44.880428 0.115495 1.166001 0.89101188E+01 0.91536216E+02 1.946622 1.833339 -1.465134 2.181591 0.991401 4.078352 12.406080 0.421467 1.414599 -0.678737 -0.019040 -0.022787 0.014240 0.032932 0.003031 -0.007050 -0.011483 0.011021 -0.036326 -0.019583 0.003198 0.016385 2.022352 2.145212 0.364322 -0.400364 1.956769 -0.437876 1.965075 0.003202 20 H 13.683472 2.708674 44.930069 0.078242 1.205879 0.92226435E+01 0.95582314E+02 1.980831 1.855041 -1.521432 2.136886 0.989480 4.326878 13.226911 0.422378 1.399211 -0.680486 0.024947 -0.024664 0.021214 0.040996 0.002701 0.011547 -0.003588 0.007336 -0.056851 -0.023293 0.006227 0.017066 2.066151 2.223422 -0.264459 0.453330 1.907422 -0.315434 2.067609 0.008703 21 H 9.352437 4.980792 45.014459 0.144974 1.227331 0.94568900E+01 0.95904271E+02 1.864418 1.781649 -0.876322 2.481020 0.999293 3.248501 8.964874 0.479832 1.258714 -0.718562 0.015499 0.020055 0.026647 0.036776 0.002682 -0.000352 0.013085 0.010129 0.000888 -0.016084 0.004843 0.011241 1.887216 2.082663 0.205706 0.222706 1.707844 0.298620 1.871140 0.000116 22 H 10.546365 2.361460 41.365845 0.129813 1.129096 0.82728415E+01 0.83287359E+02 1.899544 1.760626 -1.426621 2.207909 0.992399 3.905525 11.696587 0.432983 1.405112 -0.681020 0.034226 -0.001208 -0.004108 0.034493 0.000520 -0.003325 0.001849 0.018659 -0.006002 -0.008934 -0.002235 0.011169 2.031385 2.985014 -0.104233 -0.087557 1.540209 0.125995 1.568931 -0.000038 23 H 7.027526 1.126922 39.782297 0.132138 1.352736 0.10114953E+02 0.10413071E+03 1.972592 1.829551 -0.896603 2.465047 0.998738 3.335864 9.221234 0.479441 1.240956 -0.722412 -0.025512 -0.016936 -0.028347 0.041728 0.004014 0.010165 0.010013 0.023202 -0.003324 -0.017411 -0.002601 0.020012 2.011644 1.869331 0.200653 0.389643 1.784757 0.516867 2.380842 0.000097 24 H 5.880299 2.213234 41.455199 0.114140 1.329552 0.10177867E+02 0.10562533E+03 1.968442 1.844028 -1.178297 2.316895 0.995610 3.646843 10.338738 0.471070 1.252881 -0.716018 -0.040789 -0.007201 -0.004054 0.041617 0.007106 0.010610 0.010582 0.031943 0.003985 -0.021661 -0.002570 0.024231 2.073803 2.967505 -0.190333 -0.192367 1.589075 0.145812 1.664831 0.000027 25 H 6.227513 2.079222 45.327197 0.094596 1.043389 0.77186962E+01 0.76495517E+02 1.801062 1.698707 -1.395809 2.195410 0.992356 4.095928 12.234527 0.440849 1.401923 -0.680317 0.032511 -0.000855 0.001650 0.032564 -0.001915 0.001437 -0.007763 0.014125 -0.008181 -0.012132 0.002741 0.009391 1.914629 2.738404 -0.084125 0.030509 1.484823 -0.090893 1.520661 -0.000104 26 H 5.175719 0.651787 46.771750 0.122376 1.234609 0.92419101E+01 0.94713516E+02 1.964107 1.828165 -1.050576 2.389763 0.995743 3.655182 10.693080 0.440712 1.356128 -0.693926 0.022809 -0.019075 0.027276 0.040349 -0.001920 0.008916 -0.012545 0.008750 -0.015740 -0.017493 0.001616 0.015877 2.038212 2.139912 -0.375031 0.419265 1.868320 -0.430315 2.106404 0.000111 27 H 1.602057 1.662971 45.148490 0.128075 1.260664 0.94960689E+01 0.97432238E+02 1.939125 1.810343 -1.285781 2.272131 0.995086 3.668937 10.544554 0.461252 1.294223 -0.706030 -0.035880 -0.008802 0.000604 0.036949 0.008549 -0.001651 -0.000766 0.015644 -0.008110 -0.010236 -0.002912 0.013148 2.038791 2.872808 0.025641 0.165223 1.699122 -0.077390 1.544443 -0.000001 28 H 2.615271 4.915816 42.011178 0.136896 1.229821 0.91472041E+01 0.93506388E+02 1.953304 1.809375 -1.282612 2.279338 0.995467 3.687735 10.776397 0.446430 1.342147 -0.695693 -0.014235 0.020980 -0.019396 0.031922 0.003411 -0.001706 -0.010786 0.009422 0.008994 -0.013556 0.002089 0.011467 2.093605 2.369480 -0.518963 0.410140 2.050738 -0.414065 1.860596 -0.000166 29 H 18.737362 3.764528 41.420450 0.082602 1.457861 0.10578485E+02 0.11169882E+03 2.141868 1.908926 -1.239065 2.261471 0.995964 3.987196 11.690328 0.449050 1.291773 -0.705152 -0.016385 -0.008076 -0.042345 0.046117 -0.001024 -0.006135 0.013136 0.015311 0.034920 -0.019199 -0.000149 0.019348 2.362516 2.535294 0.020578 0.957401 1.723365 0.016190 2.828889 0.001300 30 H 0.708641 3.437620 41.420450 0.126962 1.246422 0.96039477E+01 0.97546972E+02 1.854860 1.773288 -0.874452 2.467056 0.999090 3.324323 9.112383 0.491136 1.227836 -0.724706 0.017508 -0.009731 -0.031326 0.037183 -0.004369 -0.002036 0.008259 0.017818 0.028238 -0.016875 0.003570 0.013305 1.873736 1.919974 -0.063685 -0.237120 1.539775 0.169143 2.161459 0.001017 31 H 0.643665 3.758437 45.426479 0.126748 1.077886 0.80557879E+01 0.79981396E+02 1.797325 1.706243 -1.283995 2.278233 0.993765 3.671258 10.662560 0.455219 1.355205 -0.692218 0.015559 -0.003216 0.035241 0.038657 -0.000230 -0.000031 -0.006890 0.019773 0.044559 -0.018729 0.002462 0.016267 1.875793 1.981777 -0.095998 0.486388 1.509019 0.069798 2.136582 0.000016 32 H 18.670356 4.113773 45.317269 0.090769 1.314000 0.99925637E+01 0.10444532E+03 2.024371 1.877605 -1.303817 2.243682 0.993720 3.990795 11.797921 0.442926 1.323009 -0.698095 -0.018519 0.006079 0.043149 0.047347 -0.006215 0.003008 -0.004601 0.009362 0.047078 -0.015883 -0.001346 0.017229 2.126902 2.337272 -0.047360 -0.570086 1.666773 0.240909 2.376662 -0.000123 33 H 12.566703 3.236601 1.821825 0.087778 1.427627 0.10897844E+02 0.11579804E+03 2.124731 1.953801 -1.108373 2.344164 0.995306 3.804556 11.148543 0.438828 1.313564 -0.703007 0.011864 0.040741 0.003299 0.042561 0.002306 -0.012767 0.005676 -0.023217 0.000123 -0.020621 0.006262 0.014359 2.189738 1.987052 0.626587 -0.067560 2.747935 -0.005632 1.834226 0.000950 34 H 11.376835 2.347246 3.539403 0.114209 1.056824 0.77840105E+01 0.77065082E+02 1.804294 1.699726 -1.237181 2.283981 0.995197 3.856024 11.395601 0.444494 1.391829 -0.683673 -0.005316 0.014870 0.026348 0.030718 0.004515 -0.010515 0.000382 -0.013200 0.009371 -0.015274 0.004995 0.010280 1.860089 1.636851 -0.048633 -0.280305 1.698353 0.444724 2.245063 0.000990 35 H 11.248915 19.267320 1.543835 0.121953 1.173453 0.88663173E+01 0.87435982E+02 1.710357 1.648141 -0.859547 2.470023 0.999292 3.189007 8.349318 0.540608 1.148886 -0.743906 -0.008881 -0.032145 -0.002166 0.033419 0.005450 -0.007993 0.005040 -0.019110 0.003651 -0.016324 0.004766 0.011558 1.696458 1.484239 0.252995 -0.039252 2.024906 0.086902 1.580230 0.000223 36 H 12.491574 20.215558 49.556610 0.059902 2.494689 0.19184033E+02 0.23415065E+03 3.039237 2.562980 -1.687670 2.056231 0.990524 4.583014 14.263513 0.390813 1.284049 -0.708977 -0.002950 -0.031179 -0.022566 0.038601 0.011573 0.015415 0.018296 -0.044734 -0.023452 -0.029479 -0.009768 0.039248 3.439052 2.425479 -0.171950 -0.653827 2.719465 1.172821 5.172214 0.017628 37 H 12.905794 20.057180 4.557044 0.131308 1.201541 0.90531022E+01 0.92741429E+02 1.948505 1.819862 -1.362208 2.240164 0.992753 3.827417 11.370123 0.435832 1.371863 -0.688642 0.026004 0.007995 -0.024676 0.036729 0.002051 -0.009131 -0.002992 0.013858 0.010566 -0.009384 -0.004678 0.014063 2.048540 2.307454 0.357212 -0.498692 1.670657 -0.364633 2.167511 -0.000085 38 H 12.355532 18.422636 8.255298 0.132609 1.402055 0.10734071E+02 0.11240311E+03 2.044468 1.904665 -0.895417 2.467426 0.998686 3.379369 9.488878 0.461518 1.267372 -0.717050 0.010536 -0.020581 0.035353 0.042243 0.000971 0.000550 -0.016425 0.003571 0.025930 -0.016824 -0.002449 0.019273 2.073504 2.007596 -0.227506 0.467746 1.803592 -0.448623 2.409323 0.000034 39 H 10.065139 18.509947 7.997165 0.120777 1.289452 0.99386745E+01 0.10281378E+03 1.950363 1.839763 -1.128406 2.344567 0.996313 3.631258 10.370806 0.463614 1.277105 -0.710642 -0.018724 -0.012842 0.035359 0.042021 -0.001801 -0.003724 -0.018479 0.004542 0.035930 -0.019947 -0.003176 0.023123 2.028034 2.355547 0.300882 -0.505338 1.623738 -0.298224 2.104818 -0.000004 40 H 8.599125 0.170561 2.869250 0.094334 1.659334 0.13486595E+02 0.15355755E+03 2.414993 2.209605 -1.977178 1.905035 0.989282 4.982423 15.914472 0.396259 1.357557 -0.686302 0.008779 -0.006898 -0.021267 0.024019 0.028100 -0.019719 0.012656 0.009642 0.069534 -0.047287 0.014278 0.033009 2.576989 2.398419 -0.090589 0.338211 1.912945 -0.526032 3.419602 0.023721 41 H 7.898606 0.919812 7.202909 0.097783 1.014433 0.75842210E+01 0.74798124E+02 1.765297 1.682698 -1.304293 2.239009 0.993743 4.040675 12.021705 0.443602 1.400015 -0.680868 0.016684 0.015270 -0.024860 0.033609 0.004582 -0.007532 -0.000487 -0.012108 -0.001576 -0.011816 0.002730 0.009087 1.864792 1.813856 0.247660 -0.474260 1.747932 -0.288598 2.032587 -0.000441 42 H 7.094532 2.306637 8.865883 0.124936 1.206122 0.91247967E+01 0.93560329E+02 1.949429 1.826151 -1.288419 2.276339 0.993147 3.789202 11.222426 0.435869 1.370508 -0.689549 0.004610 0.037131 -0.003483 0.037578 0.005295 -0.005267 0.001613 -0.017915 -0.003233 -0.012517 0.001570 0.010947 2.017020 1.712817 0.118249 -0.108716 2.688387 -0.118621 1.649856 -0.000040 43 H 5.594000 19.362753 10.811810 0.121827 1.295740 0.98708915E+01 0.10416787E+03 2.090922 1.928100 -1.697024 2.066817 0.991102 4.296450 13.301151 0.410955 1.412323 -0.678151 -0.016619 -0.011738 0.023202 0.030859 0.000119 -0.008084 0.000658 0.003997 -0.013917 -0.009442 0.000355 0.009087 2.231772 1.825101 0.333383 -0.472726 2.073516 -0.349351 2.796699 0.000034 44 H 6.534117 15.768785 8.012057 0.129514 1.224510 0.89884040E+01 0.91528734E+02 1.945528 1.790205 -1.291693 2.273140 0.993324 3.750960 10.958397 0.449860 1.337070 -0.695994 -0.003256 -0.030909 -0.000868 0.031092 0.000068 -0.010079 0.003648 -0.011617 -0.003330 -0.013753 0.004101 0.009651 2.104600 1.759200 0.581726 -0.076666 2.872852 -0.020246 1.681749 0.000014 45 H 3.825443 17.992172 10.106908 0.113716 1.207420 0.92335662E+01 0.95065161E+02 1.960089 1.844966 -1.259504 2.285679 0.993039 3.835254 11.424774 0.430344 1.382416 -0.687273 -0.018630 0.031203 -0.007214 0.037050 -0.013483 -0.001996 -0.004417 -0.011138 -0.033854 -0.014514 -0.005927 0.020441 2.031813 1.765069 -0.125488 0.158488 2.412409 -0.467247 1.917960 -0.000215 46 H 6.816355 15.311925 10.459359 0.119917 1.238341 0.96268586E+01 0.97253354E+02 1.790526 1.730046 -1.009295 2.393187 0.998263 3.359859 9.006916 0.520025 1.165902 -0.738557 0.035467 -0.012054 -0.006878 0.038086 -0.010705 -0.006591 -0.010730 0.009698 -0.034825 -0.021683 0.004123 0.017560 1.780032 2.084713 -0.131606 -0.184685 1.595140 -0.043405 1.660243 0.000408 47 H 5.520902 14.126119 11.968445 0.078997 1.734551 0.13610385E+02 0.15082621E+03 2.323045 2.116980 -1.057809 2.361129 0.997156 3.753288 10.745339 0.447616 1.234794 -0.723704 0.021800 -0.031925 0.021664 0.044315 -0.010775 -0.005556 -0.010158 0.019613 -0.021637 -0.020787 0.002566 0.018221 2.444781 1.894111 -0.215369 0.174377 3.002243 -0.721678 2.437988 0.000277 48 H 14.355564 15.340352 20.422307 0.389103 0.445564 0.26415969E+01 0.20439270E+02 1.114315 1.065619 -1.500615 2.312400 0.997713 2.570473 7.255349 0.491065 1.612012 -0.643612 0.022886 0.000300 0.003350 0.023131 -0.004164 0.009413 -0.001812 0.012737 -0.009544 -0.008631 -0.005760 0.014391 1.178487 1.568086 -0.125079 0.081471 0.981912 -0.056293 0.985463 0.000005 49 H 14.266223 15.204309 17.011971 0.390923 0.533768 0.32529564E+01 0.25767634E+02 1.135891 1.092268 -1.216537 2.452718 0.999979 2.253874 5.863428 0.562209 1.375345 -0.689078 -0.026454 -0.006269 -0.006143 0.027872 0.013002 0.013456 0.007417 0.014697 -0.019923 -0.014012 -0.011568 0.025579 1.166868 1.542118 -0.080464 0.029992 0.989532 0.045482 0.968953 -0.000003 50 H 13.732204 0.367519 28.583288 0.368814 0.825751 0.59178917E+01 0.55865216E+02 1.665551 1.587258 -1.875389 2.117628 0.992150 3.101762 9.583485 0.406417 1.596466 -0.646957 0.008800 -0.002820 -0.012397 0.015462 0.001608 0.000852 -0.008905 0.031483 -0.035380 -0.019847 -0.001878 0.021725 1.711642 1.758430 -0.081873 -0.220742 1.474963 0.288513 1.901534 0.018290 51 H 11.864153 3.370613 30.261154 0.387661 0.540996 0.33334986E+01 0.26532049E+02 1.143156 1.104054 -1.197004 2.461899 0.999994 2.239910 5.815550 0.561208 1.371234 -0.690518 -0.014306 -0.004585 -0.025301 0.029425 -0.004160 0.015744 -0.005814 0.007057 0.043417 -0.013238 -0.011741 0.024979 1.163521 1.138242 0.150120 0.237504 1.123514 0.131859 1.228807 -0.000105 52 H 6.686404 14.952528 17.180750 0.095789 1.453713 0.10690813E+02 0.11223849E+03 2.072708 1.871880 -1.362441 2.220121 0.993263 3.813323 10.847338 0.474677 1.229070 -0.719989 -0.017472 -0.029577 -0.036722 0.050285 0.002738 -0.007169 0.019765 -0.001567 -0.010218 -0.022668 0.002760 0.019908 2.259098 2.504936 0.652546 0.578861 2.174006 0.467917 2.098353 0.000130 53 H 8.991010 15.080449 17.051683 0.135558 1.118546 0.83382134E+01 0.80981599E+02 1.659792 1.600347 -0.837927 2.493285 0.999521 3.093727 8.040291 0.547528 1.151825 -0.743373 0.017301 -0.018670 -0.029005 0.038590 0.000147 -0.002601 0.015400 0.010330 0.006893 -0.018128 0.003762 0.014366 1.653642 1.730506 -0.134322 -0.213566 1.583629 0.286736 1.646791 0.000058 54 H 8.952430 17.740391 20.059928 0.115531 1.164014 0.88893852E+01 0.91255063E+02 1.943348 1.830403 -1.461224 2.183446 0.991472 4.071183 12.373016 0.422151 1.413360 -0.678997 0.019013 0.022712 0.014393 0.032931 0.003042 0.006867 0.011374 0.011036 -0.035069 -0.019183 0.003056 0.016127 2.018819 2.141206 0.363439 0.399364 1.953472 0.436760 1.961779 0.003250 55 H 6.621428 17.596226 20.109569 0.078313 1.203741 0.92010293E+01 0.95290089E+02 1.977796 1.852363 -1.516857 2.139207 0.989533 4.318711 13.191660 0.422910 1.398450 -0.680666 -0.024860 0.024663 0.021400 0.041039 0.002681 -0.011310 0.003819 0.007356 -0.055708 -0.022904 0.006125 0.016779 2.062850 2.219598 -0.263903 -0.452314 1.904522 0.314712 2.064431 0.008778 56 H 10.952463 15.324108 20.193959 0.144897 1.225339 0.94362089E+01 0.95626992E+02 1.860955 1.778524 -0.876765 2.480717 0.999290 3.246561 8.951713 0.480806 1.257052 -0.718913 -0.015508 -0.020070 0.026670 0.036805 0.002696 0.000258 -0.013130 0.010208 0.001139 -0.016133 0.004800 0.011333 1.883648 2.078425 0.205097 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1.247564 0.96155071E+01 0.97697692E+02 1.856312 1.774610 -0.875166 2.466660 0.999083 3.325996 9.119724 0.490828 1.228188 -0.724624 -0.017520 0.009704 -0.031311 0.037168 -0.004378 0.002038 -0.008243 0.017842 0.028224 -0.016878 0.003581 0.013296 1.875222 1.921549 -0.063764 0.237345 1.540842 -0.169346 2.163275 0.001022 66 H 19.661235 16.546463 20.605979 0.126796 1.077531 0.80526123E+01 0.79943640E+02 1.797110 1.706054 -1.283778 2.278398 0.993768 3.670760 10.661418 0.455176 1.355439 -0.692174 -0.015560 0.003214 0.035256 0.038671 -0.000238 0.000026 0.006896 0.019771 0.044567 -0.018732 0.002461 0.016272 1.875561 1.981481 -0.095994 -0.486280 1.508870 -0.069779 2.136333 -0.000004 67 H 1.634544 16.191127 20.496769 0.090787 1.313997 0.99930274E+01 0.10445837E+03 2.024964 1.878109 -1.303834 2.243705 0.993717 3.991386 11.802711 0.442674 1.323657 -0.697963 0.018496 -0.006090 0.043166 0.047355 -0.006214 -0.003008 0.004592 0.009387 0.047044 -0.015882 -0.001333 0.017216 2.127556 2.337931 -0.047420 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0.93403562E+02 1.952322 1.808517 -1.282180 2.279667 0.995472 3.685897 10.769028 0.446573 1.342033 -0.695722 0.020958 -0.014236 0.019431 0.031930 0.003407 0.010749 0.001698 -0.009384 0.009090 -0.013513 0.002068 0.011446 2.092493 2.049697 -0.518589 0.413791 2.368074 -0.409872 1.859707 -0.000204 99 H 3.764528 18.737362 20.630800 0.082618 1.458007 0.10579804E+02 0.11171870E+03 2.142206 1.909191 -1.239222 2.261426 0.995960 3.987559 11.692549 0.448958 1.291969 -0.705109 -0.008081 -0.016404 0.042343 0.046122 -0.001031 -0.013139 0.006122 -0.015326 0.034905 -0.019204 -0.000136 0.019341 2.362923 1.723616 0.020582 -0.016198 2.535702 -0.957646 2.829450 0.001257 100 H 3.437620 0.708641 20.630800 0.126944 1.246308 0.96027742E+01 0.97531838E+02 1.854747 1.773181 -0.874207 2.467182 0.999091 3.324111 9.111580 0.491152 1.227837 -0.724707 -0.009741 0.017508 0.031341 0.037198 -0.004369 -0.008262 0.002052 -0.017851 0.028228 -0.016888 0.003573 0.013315 1.873619 1.539704 -0.063689 -0.169130 1.919824 0.237108 2.161330 0.001043 101 H 3.758437 0.643665 16.624771 0.126543 1.078696 0.80636229E+01 0.80079193E+02 1.798262 1.707102 -1.283670 2.278233 0.993763 3.672902 10.668906 0.455089 1.355251 -0.692208 -0.003214 0.015522 -0.035229 0.038631 -0.000243 0.006866 0.000010 -0.019813 0.044641 -0.018751 0.002469 0.016282 1.876803 1.509748 -0.096095 -0.069855 1.982889 -0.486739 2.137771 -0.000012 102 H 4.113773 18.670356 16.733981 0.090742 1.314405 0.99970393E+01 0.10451261E+03 2.025506 1.878578 -1.304047 2.243569 0.993713 3.992319 11.806833 0.442579 1.323788 -0.697934 0.006068 -0.018523 -0.043137 0.047336 -0.006211 0.004577 -0.003013 -0.009388 0.047018 -0.015874 -0.001330 0.017204 2.128152 1.667614 -0.047441 -0.241139 2.338670 0.570566 2.378171 -0.000100 103 H 3.236601 12.566703 10.588425 0.088110 1.424643 0.10870580E+02 0.11543639E+03 2.121947 1.951539 -1.106675 2.345271 0.995336 3.799870 11.131453 0.439019 1.313812 -0.702972 0.040871 0.011987 -0.003356 0.042724 0.002340 -0.005588 0.012582 0.023431 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0.10287939E+03 1.950714 1.840086 -1.128842 2.344283 0.996305 3.632113 10.373164 0.463643 1.276881 -0.710687 -0.012827 -0.018700 -0.035351 0.041999 -0.001801 0.018492 0.003706 -0.004573 0.035898 -0.019963 -0.003158 0.023121 2.028372 1.623998 0.300913 0.298302 2.355919 0.505366 2.105199 0.000016 110 H 0.170561 8.599125 9.541000 0.093906 1.669261 0.13585761E+02 0.15498175E+03 2.424295 2.217345 -1.983978 1.901134 0.989270 5.003914 16.002243 0.395636 1.357106 -0.686308 -0.007316 0.009149 0.021184 0.024208 0.028593 -0.013071 0.020227 -0.009656 0.071358 -0.048329 0.014501 0.033828 2.587617 1.919324 -0.090909 0.529220 2.407982 -0.340055 3.435545 0.023656 111 H 0.919812 7.898606 5.207341 0.097936 1.013573 0.75761308E+01 0.74699326E+02 1.764458 1.681934 -1.303811 2.239411 0.993747 4.038588 12.014452 0.443644 1.400238 -0.680833 0.015305 0.016685 0.024898 0.033653 0.004581 0.000513 0.007510 0.012053 -0.001495 -0.011776 0.002701 0.009074 1.863867 1.747002 0.247498 0.288423 1.812924 0.473938 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0.55768930E+02 1.664397 1.586214 -1.874117 2.118360 0.992166 3.099492 9.574374 0.406540 1.596551 -0.646957 -0.002845 0.008811 0.012443 0.015510 0.001606 0.008865 -0.000822 -0.031437 -0.035218 -0.019778 -0.001896 0.021674 1.710420 1.474015 -0.081792 -0.288215 1.757093 0.220503 1.900152 0.018295 121 H 3.370613 11.864153 31.790096 0.387685 0.540947 0.33330868E+01 0.26527842E+02 1.143069 1.103972 -1.197023 2.461906 0.999994 2.239748 5.814949 0.561242 1.371199 -0.690525 -0.004581 -0.014309 0.025302 0.029427 -0.004161 0.005815 -0.015744 -0.007058 0.043419 -0.013239 -0.011741 0.024980 1.163431 1.123428 0.150107 -0.131848 1.138156 -0.237479 1.228710 -0.000091 122 H 14.952528 6.686404 44.870500 0.095843 1.454007 0.10693541E+02 0.11228078E+03 2.073489 1.872493 -1.362644 2.220058 0.993262 3.814066 10.852156 0.474430 1.229561 -0.719875 -0.029567 -0.017486 0.036720 0.050283 0.002750 -0.019733 0.007177 0.001551 -0.010264 -0.022653 0.002784 0.019869 2.260049 2.174887 0.653023 -0.468227 2.506112 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1.454175 0.10695140E+02 0.11230286E+03 2.073722 1.872689 -1.362733 2.220002 0.993260 3.814437 10.853809 0.474379 1.229635 -0.719858 -0.017488 0.029564 0.036719 0.050281 -0.002752 0.007180 0.019736 -0.001545 -0.010265 -0.022659 0.002789 0.019870 2.260337 2.506490 -0.653150 -0.579373 2.175141 0.468301 2.099380 0.000142 228 H 8.991010 5.224451 7.768817 0.135496 1.119372 0.83464073E+01 0.81084229E+02 1.660927 1.601396 -0.838038 2.493183 0.999520 3.094730 8.045059 0.547193 1.152203 -0.743283 0.017285 0.018661 0.029006 0.038579 -0.000150 0.002599 0.015400 0.010348 0.006901 -0.018134 0.003771 0.014363 1.654777 1.731763 0.134441 0.213773 1.584681 0.287038 1.647889 0.000101 229 H 8.952430 2.564509 4.760572 0.115585 1.163564 0.88848191E+01 0.91195734E+02 1.942825 1.829916 -1.460745 2.183718 0.991480 4.070035 12.368354 0.422217 1.413334 -0.679005 0.019003 -0.022726 -0.014411 0.032943 -0.003026 -0.006865 0.011374 0.011038 -0.034949 -0.019160 0.003056 0.016104 2.018302 2.140596 -0.363326 -0.399268 1.952976 0.436646 1.961334 0.003248 230 H 6.621428 2.708674 4.710931 0.078349 1.203368 0.91973843E+01 0.95242256E+02 1.977377 1.851992 -1.516395 2.139470 0.989538 4.317643 13.187406 0.422957 1.398444 -0.680672 -0.024859 -0.024691 -0.021398 0.041055 -0.002681 0.011306 0.003841 0.007349 -0.055665 -0.022896 0.006130 0.016767 2.062396 2.219032 0.263817 0.452142 1.904158 0.314644 2.063999 0.008775 231 H 10.952463 4.980792 4.626541 0.144954 1.225214 0.94350638E+01 0.95613895E+02 1.860972 1.778534 -0.876442 2.480898 0.999293 3.246276 8.951288 0.480750 1.257219 -0.718879 -0.015532 0.020041 -0.026678 0.036805 -0.002695 -0.000254 -0.013121 0.010235 0.001167 -0.016132 0.004807 0.011325 1.883679 2.078466 -0.205112 0.222042 1.704862 -0.297673 1.867709 0.000142 232 H 9.758535 2.361460 8.275155 0.129790 1.129260 0.82743261E+01 0.83306265E+02 1.899738 1.760788 -1.426756 2.207822 0.992397 3.905949 11.698237 0.432960 1.405118 -0.681017 -0.034222 -0.001211 0.004098 0.034487 -0.000517 -0.003320 -0.001856 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0.093784 28.354700 0.34472233E+03 0.76765001E+04 8.230116 6.261167 0.103019 2.045386 0.999587 26.372511 74.700931 0.644971 0.426454 -1.053910 0.006873 -0.044557 0.030594 0.054484 -0.001101 -0.000276 0.003816 -0.064700 0.082902 -0.046186 0.017158 0.029028 10.407499 16.862003 2.774667 -0.964980 7.306130 -2.188448 7.054365 0.000420 294 C 11.774812 4.720889 42.529430 -0.182249 33.731500 0.42062593E+03 0.97810687E+04 9.034501 6.785749 0.368608 2.096548 0.999685 28.993443 82.166153 0.641630 0.410517 -1.070901 0.003627 -0.008812 -0.007508 0.012132 -0.010729 0.005826 -0.005900 -0.019717 0.061338 -0.024996 0.001273 0.023722 11.701813 20.439528 3.254540 -1.723736 7.443789 -2.175273 7.222123 0.000740 295 C 11.066170 3.918846 43.409069 0.137359 37.404453 0.39377417E+03 0.90304108E+04 10.032747 6.772756 -0.234697 1.948933 0.998816 25.943886 73.639627 0.611408 0.436832 -1.051650 -0.012272 0.001487 0.000110 0.012362 -0.002606 -0.007225 0.038933 -0.012000 0.014905 -0.035092 -0.009019 0.044111 15.139506 29.850757 1.891160 -1.027283 7.581825 -1.905325 7.985936 0.001106 296 C 11.797147 3.159442 44.289204 -0.192932 35.786391 0.47421451E+03 0.11454077E+05 9.607660 7.336430 0.050909 1.989837 0.997849 30.588000 90.686734 0.595792 0.425624 -1.052811 0.010911 0.000785 -0.014704 0.018327 0.014565 -0.022010 0.013833 -0.027881 -0.090888 -0.046420 0.010776 0.035643 12.269676 21.295023 0.937701 0.592599 7.579229 -2.211334 7.934775 0.005161 297 C 13.198185 3.254875 44.319981 0.094793 29.527811 0.37026001E+03 0.84650848E+04 8.711382 6.675049 -0.121012 1.975738 0.997500 27.406962 80.861716 0.593674 0.451267 -1.030367 0.002217 0.032816 -0.040629 0.052273 -0.005557 0.020815 0.029936 -0.055601 -0.021426 -0.044934 -0.003167 0.048102 10.996554 17.724515 1.926758 0.193500 7.594244 -2.204552 7.670902 0.006953 298 C 9.594065 3.843718 43.356946 0.028499 43.993577 0.44793402E+03 0.10562105E+05 10.894397 7.081384 -0.171537 1.943855 0.999077 27.495586 78.004659 0.618751 0.419811 -1.066847 0.013179 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11.903720 7.976360 -0.248097 1.884489 0.998786 30.904671 91.175733 0.582348 0.419081 -1.064716 -0.074685 -0.058766 -0.024139 0.098051 -0.001090 -0.016421 -0.012543 0.046054 -0.068212 -0.034017 -0.004861 0.038878 18.236691 33.182086 -3.731103 -4.612441 9.162736 3.748486 12.365251 0.000130 302 C 7.492508 3.015278 42.414263 0.042803 38.728038 0.44057595E+03 0.10396137E+05 10.111745 7.095077 -0.164466 1.948287 0.999407 27.736381 79.977361 0.605801 0.428474 -1.056261 -0.011128 -0.020686 0.003233 0.023711 -0.000523 -0.013677 0.007560 0.002987 0.029385 -0.014033 -0.006060 0.020092 13.946647 21.928976 -2.991902 -4.035980 8.354040 4.578498 11.556925 0.000131 303 C 8.889485 3.061979 42.388946 0.038835 37.291429 0.43073491E+03 0.10090249E+05 9.803137 6.985786 -0.081659 1.975839 0.999503 27.416223 78.349577 0.615407 0.424866 -1.060220 0.005030 -0.024413 -0.019286 0.031516 -0.000358 -0.003502 0.019380 -0.008379 0.046488 -0.016217 -0.011599 0.027815 13.031268 19.966518 -0.983741 -1.760154 8.166481 4.498073 10.960805 0.000010 304 C 9.598126 2.339124 41.388680 -0.229584 36.700965 0.49427766E+03 0.12080167E+05 9.703692 7.500561 -0.123442 1.919639 0.998658 31.707415 95.001270 0.587160 0.426823 -1.050575 -0.007817 0.016433 0.029821 0.034935 -0.009088 -0.018488 -0.044250 0.016585 -0.053393 -0.059092 0.021185 0.037907 11.477910 14.529022 -1.188249 -1.444324 8.301844 4.809656 11.602864 0.000063 305 C 8.911821 1.622362 40.477271 0.172255 33.139369 0.44387674E+03 0.10513014E+05 9.240286 7.263823 -0.231750 1.927582 0.999437 27.301963 79.349053 0.580152 0.445758 -1.043937 0.018074 -0.026870 -0.033470 0.046572 -0.024255 -0.031938 0.023242 0.015353 0.019633 -0.028716 -0.025905 0.054621 10.713100 13.478805 -1.021579 -1.322200 7.416873 4.093370 11.243623 -0.000003 306 C 7.496569 1.597996 40.462379 -0.154129 33.845147 0.44035777E+03 0.10441499E+05 9.153227 7.049505 -0.003674 1.969811 0.999120 30.184401 88.676316 0.610388 0.423197 -1.054282 -0.008867 0.006672 0.011062 0.015668 0.018084 0.031161 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46.064366 0.178875 35.456072 0.46483644E+03 0.11214277E+05 9.875953 7.586762 -0.467796 1.853756 0.998726 28.142945 84.432467 0.546753 0.464349 -1.026222 -0.022564 -0.022622 0.034806 0.047248 0.016711 -0.029159 -0.025170 -0.009129 -0.049859 -0.040208 -0.007797 0.048005 11.289410 14.724177 0.040387 0.719684 9.726539 -4.065794 9.417514 0.000072 313 C 2.544204 1.774648 45.190188 -0.225139 35.768255 0.48287263E+03 0.11735898E+05 9.502039 7.398811 -0.098737 1.927645 0.998908 31.591068 94.472166 0.592789 0.425131 -1.051337 0.005343 0.020286 -0.013312 0.024845 0.016984 -0.013136 0.048124 0.042330 -0.014369 -0.065566 0.028558 0.037008 10.717811 13.241848 -0.947911 1.720599 9.652613 -4.273848 9.258972 0.000691 314 C 3.159442 2.714765 44.356716 0.044319 37.276375 0.43934048E+03 0.10361443E+05 9.880210 7.111153 -0.205881 1.940285 0.999126 27.553178 79.471296 0.601696 0.431628 -1.054149 -0.004240 -0.020830 0.017555 0.027569 -0.003493 -0.005601 -0.015462 -0.002308 0.031050 -0.017212 -0.003316 0.020528 12.892129 19.168634 -2.540001 1.951748 9.926798 -4.592776 9.580957 0.000034 315 C 2.446740 3.551327 43.443818 0.039862 40.402009 0.43003666E+03 0.10066328E+05 10.392278 6.989461 -0.175307 1.949801 0.999167 27.309163 77.926309 0.614225 0.426003 -1.059878 -0.007476 0.010945 0.001390 0.013327 0.001737 -0.000882 0.011350 0.014440 -0.000120 -0.015682 0.007300 0.008382 15.097081 26.892916 -3.610722 2.597364 9.262749 -3.520944 9.135579 0.000783 316 C 3.110711 4.355401 42.595453 -0.257741 40.455324 0.50167759E+03 0.12286809E+05 10.385954 7.535631 -0.233015 1.888423 0.998314 31.852391 95.033588 0.589177 0.424469 -1.053728 0.004923 0.015568 0.004342 0.016895 -0.002479 -0.001686 -0.005817 -0.042257 0.058975 -0.031184 0.008540 0.022644 13.884426 24.750718 -2.172742 -0.420172 8.764594 -2.562063 8.137965 0.001612 317 C 4.542206 4.396011 42.550776 0.302113 31.823256 0.35721249E+03 0.80141818E+04 9.045925 6.509931 0.009380 2.024941 0.999840 25.091328 71.002569 0.613644 0.444895 -1.044319 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0.91458900E+04 9.779851 6.802014 -0.240347 1.948421 0.999076 25.987732 73.731091 0.611256 0.435995 -1.052647 0.008630 0.012332 0.001077 0.015090 0.000588 -0.004054 -0.015283 -0.047520 -0.071432 -0.028384 -0.011024 0.039408 14.099342 26.245483 -2.253491 3.028291 5.918207 0.065250 10.134336 0.000812 321 C 0.213201 3.788894 44.580100 -0.175303 33.933651 0.46550206E+03 0.11160682E+05 9.235635 7.263430 -0.006370 1.977126 0.998559 29.895089 87.509560 0.601096 0.425004 -1.056115 -0.003882 0.012597 -0.004640 0.013974 0.004497 0.009876 -0.013562 -0.043594 0.032892 -0.030983 0.003366 0.027617 11.400746 19.034627 -1.794730 0.805601 5.723129 0.724718 9.444481 0.000742 322 C 19.155643 3.985852 44.510106 0.089685 27.286686 0.34219109E+03 0.76335686E+04 8.069953 6.279325 0.013657 2.020645 0.999233 26.555796 76.177940 0.635417 0.432104 -1.046669 -0.003741 0.006686 -0.049658 0.050245 0.011658 -0.007029 -0.007266 -0.066484 0.029056 -0.040729 0.007351 0.033378 9.851687 15.330868 -0.406595 1.004795 4.992024 0.969114 9.232171 0.000070 323 C 12.323044 2.318820 1.773673 0.103478 25.515177 0.30376130E+03 0.65973016E+04 7.763727 5.930335 0.231576 2.107517 0.999269 25.718296 73.514924 0.649554 0.434167 -1.042277 0.014576 -0.044164 -0.020153 0.050686 -0.002551 0.031321 0.001396 0.021724 -0.070209 -0.039412 0.000911 0.038501 9.363310 7.930908 2.690951 -3.865313 8.328148 -0.406113 11.830874 0.003424 324 C 11.590037 1.801045 2.791810 -0.182197 33.133621 0.43791365E+03 0.10361211E+05 9.107099 7.053811 0.181811 2.042328 0.998430 29.583203 86.600807 0.607566 0.426079 -1.053297 0.019101 -0.008861 -0.006643 0.022079 -0.005149 0.004125 0.016687 0.017498 0.036396 -0.024320 0.004079 0.020241 11.115712 10.075978 3.672255 -5.147856 9.706314 -1.393627 13.564842 0.007099 325 C 11.159573 0.517775 2.757558 0.145587 35.771244 0.37465451E+03 0.85105390E+04 9.838156 6.673928 -0.205251 1.967935 0.999012 25.581342 72.959329 0.604807 0.445824 -1.043252 -0.009524 -0.009939 0.013425 0.019228 -0.007116 0.024380 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19.336356 6.433474 0.167823 33.272488 0.45774583E+03 0.10915885E+05 9.268341 7.379908 -0.215072 1.932094 0.999393 27.431941 79.777064 0.575656 0.446179 -1.044582 0.041844 0.002502 0.015412 0.044662 0.005388 -0.001539 -0.000500 0.074250 -0.084646 -0.028277 -0.023376 0.051653 10.536397 14.846963 0.838273 0.148259 6.197507 -2.640632 10.564721 -0.000086 332 C 11.977861 18.788124 7.466006 -0.153576 33.553348 0.45171599E+03 0.10778934E+05 9.106311 7.138924 -0.001441 1.968426 0.998991 30.395378 89.571673 0.606687 0.423089 -1.054378 -0.013258 0.000797 -0.004211 0.013934 -0.009439 0.004028 -0.011296 -0.062123 0.063139 -0.043074 0.009772 0.033302 10.228315 15.236754 0.628839 -0.020032 6.078474 -2.422338 9.369717 0.001231 333 C 10.631646 18.804368 7.292759 -0.113313 33.489019 0.44506685E+03 0.10596887E+05 9.181996 7.152970 -0.153766 1.924911 0.998870 30.061501 88.925721 0.596725 0.431101 -1.047869 0.013158 0.015249 -0.009398 0.022225 -0.004551 -0.009556 -0.015858 -0.041013 0.019661 -0.028442 -0.000253 0.028696 10.487329 16.502768 0.753274 0.534211 5.541865 -1.972877 9.417356 -0.000039 334 C 10.059047 19.253106 6.079533 0.044526 37.945479 0.44340213E+03 0.10474328E+05 9.967393 7.118974 -0.172693 1.945595 0.999392 27.705870 79.802900 0.604936 0.428616 -1.056701 0.007082 0.006169 0.020015 0.022109 -0.009375 0.002871 -0.001026 0.030514 -0.020010 -0.014578 -0.006992 0.021570 13.061152 19.887399 2.578256 -2.009440 6.720925 -3.489650 12.575131 0.000492 335 C 8.651918 19.192191 5.879976 -0.101506 47.352346 0.52020870E+03 0.12771568E+05 11.459318 7.642151 -0.297429 1.886774 0.998590 29.659912 86.696967 0.592590 0.421003 -1.062930 -0.017676 -0.009376 0.089993 0.092190 0.011492 -0.030779 0.004150 0.018307 -0.027959 -0.034068 -0.002333 0.036401 16.710909 22.474104 4.858231 -6.136128 9.696689 -6.026937 17.961935 -0.000195 336 C 8.123990 19.630777 4.689089 0.273451 33.456295 0.36928521E+03 0.83733284E+04 9.387763 6.644885 0.151212 2.065298 0.999793 25.659336 73.543997 0.602456 0.448378 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0.45083690E+03 0.10727075E+05 9.829075 7.240613 -0.205602 1.937922 0.999091 27.937085 81.570409 0.590312 0.436076 -1.048940 0.005190 0.009380 -0.006433 0.012502 0.001312 -0.004512 0.008789 -0.017877 0.015141 -0.013342 -0.001380 0.014722 12.420965 10.055821 1.701630 -6.126500 13.868892 -0.063516 13.338181 -0.000077 340 C 7.425502 0.538080 7.933128 -0.136745 34.665365 0.49585557E+03 0.12144591E+05 9.463920 7.603680 -0.199313 1.902657 0.998355 31.089478 93.656586 0.571945 0.437244 -1.042866 -0.013607 -0.010636 0.019524 0.026067 0.003674 -0.004290 -0.012788 0.008136 0.022201 -0.015131 -0.001454 0.016585 10.886425 8.453084 0.658541 -3.942351 13.412660 1.136206 10.793530 -0.000199 341 C 6.958489 1.366520 8.914531 -0.164942 34.593524 0.48845438E+03 0.11922486E+05 9.406824 7.497697 -0.177839 1.907702 0.998027 31.341589 94.359733 0.581434 0.431582 -1.045913 0.000854 -0.010716 -0.010372 0.014938 0.002791 0.018020 -0.006388 -0.020547 -0.062116 -0.032027 0.010436 0.021591 10.819217 8.352408 0.351268 -4.240648 11.923534 0.258101 12.181709 0.000175 342 C 6.257970 0.781739 10.012590 0.149484 36.618392 0.46851866E+03 0.11262492E+05 9.921283 7.482493 -0.245830 1.919847 0.999300 27.920003 82.104740 0.568593 0.448123 -1.041174 -0.013250 0.028630 0.031876 0.044848 -0.017920 -0.026617 0.024101 -0.017942 0.056140 -0.033368 -0.016759 0.050128 11.921954 7.421193 0.607048 -3.820106 14.266146 1.299413 14.078523 0.000171 343 C 6.050860 19.730271 10.063720 -0.227129 38.713019 0.50609353E+03 0.12492927E+05 10.120493 7.640058 -0.307720 1.856392 0.998401 32.501348 99.175834 0.573692 0.432508 -1.042855 0.015270 -0.021222 -0.019036 0.032341 -0.001650 0.009476 -0.017766 0.097783 -0.010835 -0.053448 0.000922 0.052527 11.867671 6.787301 1.275865 -2.977518 15.685204 1.385756 13.130508 0.000265 344 C 6.487416 18.883557 9.057497 0.040795 37.787225 0.44207631E+03 0.10451039E+05 9.990685 7.148174 -0.168548 1.952360 0.999179 27.668171 80.121074 0.597750 0.433435 -1.052154 -0.003140 0.017180 0.023383 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-4.842458 11.176481 0.003408 350 C 5.443744 16.792152 10.093505 0.115698 34.517971 0.41637176E+03 0.97108659E+04 9.573307 7.006138 -0.114782 1.982342 0.999418 26.695838 77.141347 0.594049 0.442087 -1.045478 0.008285 -0.002278 0.007769 0.011584 0.028454 -0.007691 0.010913 -0.025980 0.013788 -0.037266 0.007192 0.030074 12.785102 11.141612 3.457970 -5.623099 13.159956 -6.967306 14.053740 -0.001712 351 C 5.943244 15.618529 10.678772 -0.217771 34.826961 0.47751525E+03 0.11518911E+05 9.352380 7.327711 0.097886 1.992402 0.999640 30.934499 90.753293 0.602145 0.421678 -1.058463 -0.016190 0.014983 0.006701 0.023055 -0.034154 -0.015648 0.000285 0.058761 -0.057533 -0.037851 -0.019493 0.057344 11.346210 9.225702 2.092017 -3.440158 12.535617 -6.104020 12.277309 0.002939 352 C 5.163536 14.911919 11.573799 0.073628 26.068718 0.34355211E+03 0.76640222E+04 7.721026 6.197818 0.265732 2.085804 0.999828 27.006030 77.222259 0.654826 0.419292 -1.055609 -0.041429 0.051549 0.013208 0.067440 -0.030179 0.025641 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0.070326 -0.042269 -0.000044 0.042313 16.301603 16.296159 5.671768 9.544446 16.032940 2.978126 16.575711 0.000087 399 C 13.074325 0.879202 32.778449 0.050756 36.657892 0.45086098E+03 0.10727793E+05 9.829227 7.240711 -0.205566 1.937906 0.999092 27.938385 81.574797 0.590320 0.436065 -1.048947 -0.005213 -0.009367 -0.006405 0.012487 0.001308 0.004542 -0.008836 -0.017959 0.015185 -0.013404 -0.001393 0.014796 12.420816 10.055258 1.701409 6.126029 13.869184 0.062989 13.338006 -0.000073 400 C 12.879398 19.766820 32.753628 -0.136919 34.673139 0.49597745E+03 0.12148355E+05 9.465149 7.604453 -0.199129 1.902633 0.998358 31.094901 93.676767 0.571933 0.437225 -1.042874 0.013566 0.010662 0.019581 0.026099 0.003723 0.004357 0.012809 0.008076 0.022353 -0.015135 -0.001546 0.016681 10.887858 8.453997 0.658601 3.943053 13.414054 -1.136629 10.795523 -0.000237 401 C 13.346411 18.938380 33.735031 -0.165035 34.601507 0.48857400E+03 0.11926272E+05 9.408412 7.498680 -0.178131 1.907529 0.998030 31.347548 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33.877997 0.040790 37.787078 0.44206918E+03 0.10450822E+05 9.990636 7.148083 -0.168352 1.952424 0.999180 27.667923 80.120007 0.597758 0.433431 -1.052157 0.003100 -0.017176 0.023404 0.029196 0.000353 0.006213 -0.006412 -0.021927 -0.005292 -0.013866 -0.000693 0.014560 12.939474 8.741066 3.080465 4.689459 16.912142 0.057360 13.165213 -0.000012 405 C 14.057082 2.852838 33.840766 0.046718 40.188106 0.43998431E+03 0.10366194E+05 10.375061 7.094192 -0.171717 1.948829 0.999176 27.482099 78.872167 0.606072 0.428943 -1.057244 0.003628 0.006417 0.000611 0.007396 -0.010032 -0.005630 0.014563 0.026580 -0.008161 -0.023259 0.000636 0.022623 14.339523 10.417739 5.335943 6.361329 17.487034 3.707845 15.113796 0.000359 406 C 13.577887 3.606150 32.841493 -0.272608 40.438755 0.51181936E+03 0.12591767E+05 10.340823 7.589756 -0.173255 1.901183 0.998703 32.202851 96.138393 0.589883 0.422056 -1.055759 -0.006783 0.009048 -0.008307 0.014031 -0.022035 -0.011080 -0.010823 -0.025400 -0.043343 -0.031555 -0.001442 0.032997 13.292877 11.380724 4.785022 6.346638 14.083670 2.023053 14.414237 0.000198 407 C 12.781935 3.041674 31.785132 0.298399 31.194295 0.35994099E+03 0.80863631E+04 8.909805 6.532715 0.066872 2.043527 0.999829 25.077625 70.885596 0.613192 0.444618 -1.045051 -0.014131 0.104306 -0.053573 0.118108 -0.014780 0.021992 -0.027593 -0.040676 0.033713 -0.036255 -0.013273 0.049528 11.368955 10.288062 4.155007 5.539146 12.578794 1.856034 11.240009 -0.000042 408 C 16.877433 3.874175 36.187793 -0.241458 54.717508 0.88900598E+03 0.25033449E+05 12.624862 10.137265 0.044562 1.875897 0.999884 38.722903 122.474006 0.501790 0.433479 -1.051881 -0.365276 0.133960 -0.090925 0.399548 0.190517 -0.201022 0.059188 -0.466431 0.556932 -0.461616 0.205707 0.255909 15.226728 11.154568 3.473716 3.422238 16.791107 8.231263 17.734508 -0.015993 409 C 16.118030 3.114772 35.286312 -0.167661 33.225528 0.47371866E+03 0.11525480E+05 9.240059 7.436244 -0.345379 1.857298 0.997166 31.682993 96.619903 0.575108 0.437742 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0.34365247E+03 0.76670411E+04 7.723327 6.198878 0.264897 2.085431 0.999828 27.013058 77.253533 0.654726 0.419313 -1.055566 0.041442 -0.051622 0.013334 0.067528 -0.030205 -0.025575 0.000251 -0.015666 -0.005965 -0.041403 0.002122 0.039281 8.920177 7.809445 1.128225 2.402525 9.498798 4.056709 9.452287 0.001767 413 C 4.789926 13.153514 19.440408 0.093758 28.356347 0.34474199E+03 0.76770448E+04 8.230392 6.261299 0.102771 2.045289 0.999586 26.373675 74.704662 0.644971 0.426448 -1.053915 -0.044588 0.006905 -0.030625 0.054532 -0.001077 -0.003739 0.000298 0.064716 0.082786 -0.046174 0.017227 0.028947 10.408177 7.306014 2.774617 2.187871 16.864409 0.964482 7.054108 0.000395 414 C 4.720889 11.774812 19.521820 -0.182220 33.733197 0.42062927E+03 0.97811387E+04 9.034945 6.785811 0.368539 2.096524 0.999685 28.993458 82.165423 0.641624 0.410521 -1.070901 -0.008870 0.003589 0.007535 0.012180 -0.010750 0.005933 -0.005869 0.019742 0.061300 -0.025016 0.001265 0.023751 11.703289 7.444018 3.255344 2.174841 20.443754 1.724023 7.222096 0.000782 415 C 3.918846 11.066170 18.642181 0.137275 37.404362 0.39378000E+03 0.90301718E+04 10.031279 6.771832 -0.235276 1.948723 0.998815 25.942690 73.623893 0.611609 0.436707 -1.051773 0.001429 -0.012192 -0.000097 0.012276 -0.002654 -0.038854 0.007217 0.011889 0.015059 -0.035019 -0.009010 0.044028 15.137534 7.580732 1.892816 1.904557 29.847256 1.028613 7.984613 0.000937 416 C 3.159442 11.797147 17.762046 -0.192982 35.754682 0.47377203E+03 0.11439244E+05 9.598141 7.330570 0.056342 1.991582 0.997880 30.568868 90.575411 0.596404 0.425341 -1.053121 0.000826 0.010871 0.014516 0.018154 0.014600 -0.013781 0.021946 0.027759 -0.087114 -0.045625 0.010626 0.035000 12.255809 7.571879 0.936370 2.208510 21.268071 -0.591884 7.927476 0.005278 417 C 3.254875 13.198185 17.731269 0.094353 29.518442 0.37017925E+03 0.84615794E+04 8.705233 6.671538 -0.114571 1.977715 0.997537 27.396409 80.785308 0.594286 0.450890 -1.030728 0.032753 0.002210 0.040575 0.052192 -0.005669 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0.999745 25.097137 70.511800 0.626181 0.437804 -1.050157 0.065386 -0.008685 -0.100598 0.120294 -0.007896 -0.036269 0.017602 -0.000936 0.011216 -0.036898 -0.007574 0.044472 12.771971 6.789425 -2.007435 -2.697669 22.552098 3.135237 8.974390 -0.000119 421 C 3.725949 6.753410 18.605943 -0.151114 50.420144 0.56961342E+03 0.14297884E+05 11.907803 7.978722 -0.248357 1.884317 0.998785 30.915137 91.217978 0.582233 0.419100 -1.064688 -0.058821 -0.074603 0.024199 0.098036 -0.001043 0.012381 0.016378 -0.046456 -0.068465 -0.033946 -0.005129 0.039075 18.243300 9.165913 -3.732802 -3.750077 33.194018 4.614576 12.369967 -0.000097 422 C 3.015278 7.492508 19.636987 0.042843 38.726650 0.44055726E+03 0.10395588E+05 10.111333 7.094814 -0.164213 1.948353 0.999408 27.736487 79.977295 0.605827 0.428461 -1.056269 -0.020643 -0.011113 -0.003327 0.023679 -0.000541 -0.007619 0.013702 -0.003003 0.029514 -0.014072 -0.006095 0.020167 13.945683 8.353858 -2.991666 -4.578514 21.926202 4.035945 11.556988 -0.000050 423 C 3.061979 8.889485 19.662304 0.038901 37.291530 0.43073512E+03 0.10090301E+05 9.803246 6.985887 -0.081828 1.975784 0.999503 27.416410 78.351476 0.615387 0.424878 -1.060208 -0.024433 0.005019 0.019278 0.031525 -0.000358 -0.019376 0.003539 0.008360 0.046536 -0.016234 -0.011590 0.027824 13.031387 8.166881 -0.983997 -4.498313 19.965939 1.761087 10.961342 0.000044 424 C 2.339124 9.598126 20.662570 -0.229693 36.704755 0.49433519E+03 0.12081954E+05 9.704397 7.501030 -0.123603 1.919567 0.998658 31.709544 95.009895 0.587136 0.426827 -1.050570 0.016445 -0.007821 -0.029802 0.034925 -0.009072 0.044196 0.018495 -0.016643 -0.053407 -0.059051 0.021198 0.037853 11.478924 8.302715 -1.188583 -4.810169 14.530084 1.445042 11.603972 -0.000075 425 C 1.622362 8.911821 21.573979 0.172265 33.140625 0.44389444E+03 0.10513550E+05 9.240444 7.263928 -0.231910 1.927513 0.999437 27.302863 79.352417 0.580152 0.445753 -1.043938 -0.026849 0.018101 0.033448 0.046554 -0.024270 -0.023238 0.031951 -0.015339 0.019647 -0.028732 -0.025905 0.054637 10.713363 7.417152 -1.021770 -4.093517 13.478924 1.322587 11.244014 0.000076 426 C 1.597996 7.496569 21.588871 -0.154208 33.849753 0.44042972E+03 0.10443625E+05 9.153914 7.050044 -0.004015 1.969654 0.999120 30.187495 88.686990 0.610370 0.423193 -1.054285 0.006723 -0.008910 -0.011108 0.015747 0.018094 0.012153 -0.031187 0.005394 0.015694 -0.042668 0.010844 0.031824 10.495824 7.195320 -1.651838 -4.021296 13.125742 1.991781 11.166410 0.000117 427 C 2.259935 6.830568 20.616404 -0.120428 34.065099 0.44613723E+03 0.10633627E+05 9.280429 7.161319 -0.182292 1.912048 0.999134 30.271529 89.728697 0.596134 0.431071 -1.047406 -0.011578 0.023147 -0.003859 0.026168 0.007268 0.010886 -0.017359 -0.044649 0.005932 -0.030863 -0.000680 0.031543 10.762338 7.814257 -2.223612 -4.545698 13.257331 2.857352 11.215427 0.000121 428 C 3.677217 5.271152 18.582612 -0.162763 48.172665 0.55150998E+03 0.13775030E+05 11.650846 7.944214 -0.289769 1.872320 0.998781 31.131168 92.566192 0.571462 0.429121 -1.055122 -0.052934 0.077826 -0.022652 0.096809 0.010634 -0.010011 0.010453 -0.052207 -0.075181 -0.033737 -0.008057 0.041795 17.263853 9.576218 -3.250938 2.957762 31.501482 2.049756 10.713859 -0.001525 429 C 2.814259 4.590938 17.666735 0.049945 36.785898 0.44812840E+03 0.10654103E+05 9.857598 7.226619 -0.214705 1.933763 0.999206 28.008754 81.935829 0.589512 0.437018 -1.047634 -0.013150 0.010432 0.001264 0.016833 0.003797 0.012026 0.009735 -0.010016 0.026671 -0.015473 -0.004858 0.020331 12.604306 8.669368 -1.091560 4.132348 19.161982 0.448096 9.981570 0.000257 430 C 2.014246 5.279274 16.753837 -0.136143 34.197109 0.47461841E+03 0.11523367E+05 9.405835 7.456477 -0.253805 1.887523 0.998446 30.997331 93.645706 0.574271 0.439293 -1.039348 -0.002335 -0.029202 -0.005021 0.029722 -0.001823 -0.017457 0.001548 -0.035929 0.017350 -0.029515 0.012536 0.016978 10.727095 8.637551 -0.862724 4.151490 13.719188 0.099158 9.824547 -0.001704 431 C 1.151288 4.672157 15.909444 -0.151847 34.015788 0.47423055E+03 0.11524017E+05 9.361627 7.439473 -0.256395 1.883881 0.998427 31.374431 95.160976 0.575925 0.437649 -1.039202 0.017527 0.008576 0.003527 0.019829 -0.022342 0.001407 -0.028690 0.040704 -0.039319 -0.045424 0.004830 0.040594 10.478001 7.934525 0.024666 3.226126 14.415355 0.123641 9.084122 0.000231 432 C 1.011184 3.275180 15.986884 0.178152 35.452622 0.46479187E+03 0.11211106E+05 9.870578 7.583074 -0.462281 1.855420 0.998746 28.131106 84.344160 0.547335 0.463942 -1.026614 -0.023101 -0.022437 -0.034429 0.047143 0.017008 0.025371 0.028720 0.008431 -0.047922 -0.039458 -0.008542 0.048000 11.282990 9.721788 0.040055 4.065097 14.713989 -0.718484 9.413194 0.001237 433 C 1.774648 2.544204 16.861062 -0.225019 35.763616 0.48283709E+03 0.11734737E+05 9.501240 7.398699 -0.098075 1.927843 0.998914 31.589189 94.463212 0.592778 0.425149 -1.051333 0.019805 0.005343 0.013836 0.024743 0.016811 -0.048191 0.013064 -0.041954 -0.014868 -0.065475 0.028386 0.037089 10.716597 9.651284 -0.947699 4.272476 13.242119 -1.719510 9.256389 -0.001446 434 C 2.714765 3.159442 17.694534 0.044225 37.275946 0.43934179E+03 0.10361393E+05 9.879782 7.110925 -0.205259 1.940466 0.999129 27.553289 79.469109 0.601741 0.431600 -1.054176 -0.020987 -0.004313 -0.017209 0.027481 -0.003507 0.015374 0.005687 0.002468 0.030436 -0.017156 -0.003212 0.020367 12.891873 9.925661 -2.539932 4.591247 19.171353 -1.951188 9.578604 0.000492 435 C 3.551327 2.446740 18.607432 0.039965 40.395273 0.42996753E+03 0.10064183E+05 10.390859 6.988745 -0.175071 1.949889 0.999168 27.306089 77.912434 0.614284 0.425985 -1.059902 0.010721 -0.007461 -0.001324 0.013128 0.001685 -0.011379 0.000899 -0.014195 0.000089 -0.015625 0.007179 0.008446 15.094756 9.261262 -3.610430 3.519754 26.889689 -2.596339 9.133318 -0.001357 436 C 4.355401 3.110711 19.455797 -0.257310 40.430470 0.50133407E+03 0.12276076E+05 10.381736 7.533093 -0.232778 1.888675 0.998311 31.838298 94.977060 0.589282 0.424474 -1.053744 0.015502 0.004916 -0.004091 0.016770 -0.002421 0.005495 0.001673 0.042583 0.059214 -0.031375 0.008901 0.022474 13.877918 8.761119 -2.171622 2.560879 24.738137 0.419801 8.134498 -0.001959 437 C 4.396011 4.542206 19.500474 0.302165 31.817210 0.35715441E+03 0.80123940E+04 9.044543 6.509281 0.009659 2.025094 0.999840 25.086903 70.983291 0.613703 0.444878 -1.044349 0.081996 0.004623 0.084135 0.117573 0.007207 0.033656 0.016281 0.012460 -0.008829 -0.034010 -0.008045 0.042055 12.060104 7.406283 -2.355864 2.303959 21.356171 0.544738 7.417859 -0.000203 438 C 3.788894 19.198283 19.798320 0.087088 27.664168 0.34070088E+03 0.75896137E+04 8.153119 6.261039 0.114757 2.049394 0.999619 26.583276 76.123596 0.637248 0.431470 -1.047388 -0.000579 0.000187 -0.052611 0.052614 0.013207 -0.009156 -0.009349 0.066039 0.034085 -0.042309 0.007364 0.034946 9.999159 5.043731 -0.531345 -0.407215 15.247606 -2.351505 9.706141 0.001326 439 C 3.595998 0.257872 19.808248 -0.182360 33.703311 0.42367188E+03 0.99070559E+04 9.093231 6.844192 0.209502 2.042936 0.999694 29.401218 84.592552 0.631750 0.414616 -1.064215 0.004621 -0.004983 -0.001542 0.006968 0.006459 -0.014688 0.016873 0.024448 0.019136 -0.029086 0.005182 0.023904 11.604215 5.494194 -1.007262 -0.370552 19.316853 -3.699230 10.001598 0.000801 440 C 3.634577 0.962452 18.643174 0.135772 36.037817 0.39803711E+03 0.91483501E+04 9.780133 6.802233 -0.239859 1.948503 0.999077 25.991399 73.739339 0.611331 0.435924 -1.052706 0.012278 0.008558 -0.001043 0.015002 0.000514 0.015277 0.004098 0.047136 -0.071412 -0.028402 -0.010816 0.039218 14.099280 5.918392 -2.253798 -0.065405 26.244840 -3.027521 10.134609 -0.000628 441 C 3.788894 0.213201 17.471150 -0.175535 33.943317 0.46566495E+03 0.11165674E+05 9.237244 7.264528 -0.005821 1.977161 0.998566 29.903145 87.540189 0.601066 0.424984 -1.056117 0.012550 -0.003927 0.004699 0.013965 0.004439 0.013505 -0.009937 0.043470 0.033432 -0.031006 0.003447 0.027559 11.402571 5.724040 -1.795293 -0.724995 19.037349 -0.805162 9.446326 0.000027 442 C 3.985852 19.155643 17.541144 0.089591 27.290144 0.34224396E+03 0.76351894E+04 8.070890 6.279872 0.013560 2.020587 0.999232 26.559282 76.194919 0.635367 0.432113 -1.046644 0.006626 -0.003766 0.049712 0.050293 0.011655 0.007233 0.007076 0.066404 0.029070 -0.040705 0.007376 0.033328 9.852629 4.992490 -0.406944 -0.969383 15.331350 -1.004535 9.234048 -0.000254 443 C 2.318820 12.323044 10.636577 0.104139 25.495591 0.30355330E+03 0.65916048E+04 7.760994 5.929423 0.231087 2.107669 0.999268 25.702846 73.462354 0.649425 0.434331 -1.042187 -0.044384 0.014955 0.020017 0.050934 -0.002436 -0.001365 -0.031619 -0.021350 -0.069438 -0.039505 0.000969 0.038536 9.359792 8.323266 2.690923 0.409251 7.931547 3.865952 11.824564 0.004049 444 C 1.801045 11.590037 9.618440 -0.181794 33.134829 0.43800000E+03 0.10364496E+05 9.110214 7.056620 0.178642 2.041522 0.998408 29.582894 86.625036 0.607130 0.426335 -1.053065 -0.008841 0.019311 0.006506 0.022212 -0.004560 -0.016775 -0.003772 -0.017153 0.037270 -0.024032 0.003495 0.020537 11.119146 9.710154 3.676252 1.395993 10.083206 5.149885 13.564079 0.007089 445 C 0.517775 11.159573 9.652692 0.146132 35.753494 0.37454421E+03 0.85080283E+04 9.837427 6.675004 -0.205513 1.968051 0.999011 25.578333 72.968124 0.604434 0.446099 -1.043015 -0.010036 -0.009593 -0.013461 0.019337 -0.007020 0.014644 -0.024527 -0.063974 -0.009291 -0.037005 -0.010970 0.047975 14.146386 9.866658 4.432115 3.368106 12.887004 9.001836 19.685495 0.003101 446 C 20.168857 11.527092 10.757205 -0.185521 32.467364 0.39539523E+03 0.90755081E+04 8.838811 6.575486 0.429755 2.118345 0.999789 28.730487 81.543802 0.650745 0.410068 -1.068569 0.009381 0.010272 0.000700 0.013928 -0.002626 0.001778 -0.023212 0.012100 -0.089160 -0.040624 0.017122 0.023502 11.241773 7.844722 1.995667 0.619863 8.862782 6.070882 17.017814 -0.000471 447 C 0.428433 12.274312 11.730168 0.081428 27.505430 0.31367832E+03 0.68948961E+04 8.169436 5.988711 -0.001623 2.008763 0.999631 26.999421 78.652961 0.649904 0.428759 -1.041413 0.032545 0.002384 -0.032619 0.046140 -0.022176 -0.023141 -0.047763 -0.013365 -0.083538 -0.069950 0.018698 0.051253 10.053172 8.256370 2.092549 -0.715675 7.560872 3.975980 14.342274 0.015754 448 C 20.227741 10.306767 8.581936 0.044777 42.142904 0.42456778E+03 0.99183995E+04 10.706550 6.976612 -0.157197 1.959177 0.999182 27.162497 77.732726 0.609871 0.429906 -1.056202 0.010121 -0.001120 0.017123 0.019922 0.007753 -0.009729 0.020025 0.019976 0.021508 -0.029583 0.008653 0.020930 15.478172 8.145402 3.624244 5.869118 19.388077 5.920318 18.901037 0.001206 449 C 19.748546 10.897640 7.373674 0.029318 38.205020 0.44570424E+03 0.10509262E+05 9.925670 7.076602 -0.034671 1.988177 0.999499 27.540995 78.445072 0.616519 0.421341 -1.064574 -0.001960 0.025127 -0.013879 0.028772 -0.003769 0.005100 -0.018605 -0.041312 -0.003612 -0.021378 -0.011022 0.032400 12.842402 6.687789 1.568190 4.064997 17.570930 0.764331 14.268487 -0.000111 450 C 19.758698 12.323044 7.163196 -0.233439 36.783351 0.49999243E+03 0.12239268E+05 9.667339 7.505355 -0.074053 1.933635 0.999411 31.847204 95.095956 0.592248 0.422484 -1.054616 0.003565 -0.030577 0.012617 0.033269 0.012486 -0.019887 0.038957 0.024168 -0.056025 -0.057373 0.025878 0.031495 11.238695 6.116625 0.828601 2.723722 16.281552 -0.992552 11.317909 0.000727 451 C 19.336356 12.826605 5.976776 0.167865 33.271490 0.45773421E+03 0.10915552E+05 9.268221 7.379863 -0.215287 1.932044 0.999393 27.431413 79.775639 0.575651 0.446185 -1.044577 0.002568 0.041824 -0.015392 0.044641 0.005409 0.000493 0.001608 -0.074159 -0.084571 -0.028253 -0.023348 0.051601 10.536160 6.197410 0.838006 2.640424 14.847666 -0.148433 10.563404 -0.000058 452 C 18.788124 11.977861 4.944244 -0.153540 33.556536 0.45175780E+03 0.10780290E+05 9.107236 7.139519 -0.002074 1.968223 0.998989 30.396982 89.580848 0.606621 0.423120 -1.054348 0.000856 -0.013262 0.004191 0.013935 -0.009458 0.011279 -0.004055 0.062183 0.063170 -0.043116 0.009806 0.033310 10.229364 6.079043 0.628454 2.422572 15.238782 0.019231 9.370267 0.001310 453 C 18.804368 10.631646 5.117491 -0.113498 33.497123 0.44517180E+03 0.10600037E+05 9.183364 7.153690 -0.153894 1.924798 0.998870 30.066674 88.944478 0.596709 0.431086 -1.047875 0.015317 0.013197 0.009368 0.022283 -0.004535 0.015922 0.009573 0.040896 0.019801 -0.028425 -0.000297 0.028722 10.488846 5.542583 0.752418 1.973356 16.505094 -0.536173 9.418862 0.000057 454 C 19.253106 10.059047 6.330717 0.044492 37.946067 0.44341261E+03 0.10474596E+05 9.967133 7.118867 -0.172521 1.945623 0.999393 27.706735 79.804429 0.604967 0.428593 -1.056720 0.006245 0.007074 -0.019981 0.022098 -0.009379 0.001053 -0.002912 -0.030618 -0.020075 -0.014614 -0.007022 0.021636 13.059029 6.719865 2.575361 3.488538 19.884700 2.003183 12.572524 0.000466 455 C 19.192191 8.651918 6.530274 -0.101894 47.368482 0.52038416E+03 0.12776966E+05 11.461602 7.643241 -0.297375 1.886725 0.998590 29.665581 86.717514 0.592571 0.420981 -1.062943 -0.009321 -0.017654 -0.090012 0.092199 0.011544 -0.003995 0.030827 -0.018467 -0.027824 -0.034019 -0.002519 0.036538 16.711942 9.697220 4.855137 6.027876 22.473303 6.128991 17.965303 -0.000172 456 C 19.630777 8.123990 7.721161 0.273609 33.465579 0.36931251E+03 0.83749526E+04 9.392941 6.647140 0.150805 2.065284 0.999793 25.664447 73.587465 0.602020 0.448649 -1.039637 0.011733 -0.105968 0.029484 0.110617 0.022437 -0.004134 0.019188 -0.098314 -0.064583 -0.046282 -0.022093 0.068375 12.471654 7.073889 2.528046 4.302549 16.359645 2.759301 13.981428 -0.000433 457 C 20.160735 8.984918 8.732845 -0.298598 45.298913 0.53256107E+03 0.13315048E+05 11.207695 7.777805 -0.328984 1.837713 0.998137 33.868472 104.012897 0.575118 0.425967 -1.046823 -0.007900 0.011532 -0.006144 0.015269 0.023617 -0.046055 0.007751 0.035756 0.075993 -0.054793 -0.008493 0.063286 15.408292 8.143379 3.807945 4.898873 21.279879 5.730761 16.801617 0.015073 458 C 18.611471 7.778807 5.462992 -0.126315 46.384718 0.52448973E+03 0.12933460E+05 11.382269 7.749257 -0.329828 1.875235 0.998286 30.139171 88.972725 0.578514 0.429353 -1.055240 0.084428 0.033560 0.037464 0.098274 0.008095 0.023877 0.015816 -0.043858 0.070046 -0.042389 0.000508 0.041881 16.286508 16.019117 5.664511 2.975257 16.277686 9.533628 16.562721 -0.000662 459 C 19.425698 7.230575 4.452301 0.050740 36.652908 0.45082643E+03 0.10726703E+05 9.828654 7.240757 -0.206262 1.937777 0.999086 27.934884 81.562012 0.590282 0.436104 -1.048929 0.009492 0.005174 0.006378 0.012552 0.001268 -0.008754 0.004522 0.017738 0.015364 -0.013296 -0.001378 0.014675 12.419669 13.865618 1.700744 0.062772 10.054431 6.126071 13.338958 0.000056 460 C 0.538080 7.425502 4.477122 -0.136326 34.644888 0.49554269E+03 0.12134854E+05 9.460342 7.601443 -0.199220 1.902881 0.998350 31.075505 93.602510 0.572019 0.437263 -1.042868 -0.010648 -0.013579 -0.019458 0.026008 0.003654 0.012840 0.004075 -0.008254 0.022190 -0.015231 -0.001266 0.016497 10.881793 13.404888 0.658268 -1.135872 8.449553 3.940928 10.790939 -0.000597 461 C 1.366520 6.958489 3.495719 -0.164582 34.578782 0.48822452E+03 0.11915436E+05 9.404658 7.496337 -0.178373 1.907696 0.998021 31.330965 94.321086 0.581441 0.431628 -1.045888 -0.010645 0.000930 0.010297 0.014839 0.002809 0.006424 -0.018222 0.020149 -0.061859 -0.032111 0.010744 0.021367 10.816587 11.918315 0.351274 -0.258443 8.350649 4.240295 12.180799 -0.000116 462 C 0.781739 6.257970 2.397660 0.149573 36.619961 0.46854245E+03 0.11263203E+05 9.921584 7.482644 -0.246180 1.919700 0.999302 27.920468 82.106510 0.568592 0.448118 -1.041177 0.028460 -0.013072 -0.031766 0.044609 -0.017870 -0.023860 0.026309 0.017539 0.055822 -0.033004 -0.016671 0.049675 11.922660 14.264883 0.606104 -1.301334 7.421658 3.821076 14.081440 -0.000203 463 C 19.730271 6.050860 2.346530 -0.227299 38.710946 0.50607479E+03 0.12492289E+05 10.119958 7.639802 -0.307165 1.856582 0.998398 32.500951 99.172376 0.573717 0.432495 -1.042868 -0.021146 0.015422 0.018915 0.032291 -0.001613 0.017763 -0.009477 -0.097871 -0.010578 -0.053515 0.000987 0.052528 11.866807 15.682590 1.274563 -1.387578 6.786740 2.977391 13.131092 -0.000159 464 C 18.883557 6.487416 3.352753 0.040764 37.782948 0.44204439E+03 0.10449909E+05 9.989348 7.147510 -0.167176 1.952772 0.999184 27.666688 80.110637 0.597839 0.433386 -1.052203 0.017211 -0.003010 -0.023369 0.029179 0.000344 -0.006402 0.006178 0.022152 -0.005421 -0.013907 -0.000750 0.014657 12.937117 16.907739 3.078744 0.056332 8.739504 4.688669 13.164107 0.000032 465 C 17.452062 6.247818 3.389984 0.046403 40.175809 0.43993546E+03 0.10364391E+05 10.371540 7.092900 -0.169883 1.949446 0.999178 27.479600 78.853453 0.606263 0.428835 -1.057349 -0.006448 -0.003496 -0.000865 0.007386 -0.009983 0.014706 -0.005389 -0.026526 -0.007209 -0.023413 0.001025 0.022388 14.332140 17.479064 5.331423 3.703414 10.411825 6.356304 15.105530 0.001120 466 C 16.698750 6.727013 4.389257 -0.271993 40.405417 0.51138730E+03 0.12578110E+05 10.334766 7.586403 -0.172167 1.901688 0.998706 32.185686 96.066334 0.590048 0.422040 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7.051888 0.181303 2.042364 0.998424 29.570973 86.552754 0.607649 0.426090 -1.053310 0.008801 -0.019331 0.006495 0.022211 -0.005156 0.016556 0.004142 -0.017647 0.036095 -0.024259 0.004199 0.020060 11.109881 9.703302 3.671936 -1.394111 10.072767 -5.143970 13.553576 0.007146 505 C 19.787125 9.145327 34.473192 0.145911 35.754920 0.37455529E+03 0.85076520E+04 9.834777 6.673109 -0.205057 1.968072 0.999011 25.576300 72.940277 0.604840 0.445833 -1.043255 0.010073 0.009364 -0.013546 0.019304 -0.007179 -0.014753 0.024448 -0.063803 -0.009725 -0.036968 -0.010969 0.047937 14.143005 9.864208 4.429714 -3.367684 12.880351 -8.998964 19.684456 0.003084 506 C 0.136043 8.777808 35.577705 -0.185717 32.484528 0.39558445E+03 0.90810662E+04 8.842287 6.577190 0.428284 2.117740 0.999789 28.739302 81.578056 0.650632 0.410084 -1.068544 -0.009282 -0.010605 0.000519 0.014103 -0.002683 -0.001754 0.023100 0.012542 -0.089044 -0.040549 0.016991 0.023558 11.247686 7.847991 1.997161 -0.621743 8.866387 -6.074765 17.028679 -0.000468 507 C 19.876467 8.030588 36.550668 0.081415 27.514360 0.31375866E+03 0.68974145E+04 8.172290 5.990188 -0.003227 2.008231 0.999627 27.005905 78.687725 0.649679 0.428861 -1.041304 -0.032457 -0.002571 -0.032686 0.046135 -0.022175 0.023131 0.047828 -0.013322 -0.083712 -0.070021 0.018719 0.051302 10.057514 8.259594 2.093782 0.714935 7.563452 -3.977999 14.349497 0.015765 508 C 0.077159 9.998133 33.402436 0.044829 42.140499 0.42458175E+03 0.99184397E+04 10.704710 6.975981 -0.158395 1.958711 0.999181 27.162197 77.721336 0.610019 0.429814 -1.056298 -0.009976 0.001119 0.017073 0.019805 0.007750 0.009703 -0.020101 0.019967 0.021103 -0.029621 0.008728 0.020893 15.476275 8.145162 3.624735 -5.870261 19.379273 -5.924360 18.904389 0.001171 509 C 0.556354 9.407260 32.194174 0.029302 38.203506 0.44570359E+03 0.10509253E+05 9.925478 7.076710 -0.034622 1.988202 0.999499 27.540842 78.444895 0.616499 0.421355 -1.064565 0.001991 -0.025138 -0.013838 0.028764 -0.003755 -0.005101 0.018629 -0.041337 -0.003519 -0.021403 -0.011019 0.032422 12.842761 6.688193 1.570193 -4.065539 17.570169 -0.768878 14.269922 -0.000107 510 C 0.546202 7.981856 31.983696 -0.233445 36.781407 0.49998595E+03 0.12239047E+05 9.666886 7.505297 -0.073961 1.933666 0.999411 31.846773 95.093840 0.592253 0.422483 -1.054619 -0.003534 0.030575 0.012628 0.033268 0.012489 0.019890 -0.038954 0.024161 -0.055959 -0.057364 0.025870 0.031494 11.238007 6.116505 0.829547 -2.723638 16.279736 0.990510 11.317779 0.000738 511 C 0.968544 7.478295 30.797276 0.167874 33.269979 0.45772425E+03 0.10915192E+05 9.267776 7.379708 -0.215205 1.932072 0.999393 27.430653 79.771483 0.575669 0.446175 -1.044589 -0.002544 -0.041821 -0.015383 0.044633 0.005404 -0.000476 -0.001615 -0.074056 -0.084522 -0.028234 -0.023307 0.051541 10.535559 6.197153 0.838475 -2.640183 14.846598 0.147349 10.562925 -0.000041 512 C 1.516776 8.327039 29.764744 -0.153444 33.548324 0.45164241E+03 0.10776709E+05 9.105491 7.138435 -0.001576 1.968434 0.998990 30.391944 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-0.101299 47.341914 0.52010319E+03 0.12768251E+05 11.457512 7.641311 -0.297295 1.886854 0.998590 29.656072 86.681526 0.592634 0.420996 -1.062942 0.009372 0.017694 -0.090001 0.092202 0.011470 0.004212 -0.030759 -0.018187 -0.028018 -0.034094 -0.002234 0.036327 16.707071 9.694620 4.856882 -6.024856 22.469743 -6.133673 17.956849 -0.000169 516 C 0.674123 12.180910 32.541661 0.273394 33.454086 0.36928311E+03 0.83731551E+04 9.386875 6.644635 0.151221 2.065301 0.999794 25.658529 73.537867 0.602507 0.448347 -1.039932 -0.011608 0.106063 0.029492 0.110697 0.022463 0.003869 -0.019125 -0.098670 -0.064569 -0.046255 -0.022282 0.068537 12.462593 7.070643 2.529138 -4.299287 16.345742 -2.764326 13.971393 -0.000406 517 C 0.144165 11.319982 33.553345 -0.299145 45.284160 0.53252241E+03 0.13311732E+05 11.200439 7.774627 -0.321651 1.839896 0.998161 33.853433 103.903802 0.575648 0.425650 -1.047184 0.007768 -0.011376 -0.006015 0.015031 0.022784 0.045029 -0.006874 0.035576 0.074754 -0.053007 -0.009116 0.062124 15.396896 8.138938 3.805872 -4.895150 21.262460 -5.730109 16.789291 0.015124 518 C 1.693429 12.526093 30.283492 -0.127296 46.429842 0.52499909E+03 0.12949657E+05 11.390607 7.753869 -0.330686 1.874785 0.998280 30.159528 89.056440 0.578225 0.429447 -1.055142 -0.084411 -0.033498 0.037377 0.098205 0.008250 -0.023906 -0.016218 -0.043503 0.070315 -0.042281 -0.000001 0.042282 16.300896 16.032161 5.671403 -2.977621 16.295876 -9.544047 16.574653 0.000158 519 C 0.879202 13.074325 29.272801 0.050752 36.657940 0.45086154E+03 0.10727815E+05 9.829293 7.240756 -0.205645 1.937888 0.999092 27.938292 81.574701 0.590313 0.436070 -1.048943 -0.009376 -0.005216 0.006396 0.012491 0.001306 0.008836 -0.004546 0.017938 0.015184 -0.013397 -0.001396 0.014792 12.420922 13.869223 1.701323 -0.062809 10.055587 -6.126177 13.337958 -0.000079 520 C 19.766820 12.879398 29.297622 -0.136888 34.671562 0.49595022E+03 0.12147520E+05 9.464914 7.604276 -0.199175 1.902636 0.998358 31.093809 93.672793 0.571936 0.437229 -1.042872 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0.12492075E+05 10.120468 7.640058 -0.307856 1.856385 0.998400 32.499370 99.169713 0.573667 0.432532 -1.042839 0.021174 -0.015300 0.018979 0.032290 -0.001652 -0.017739 0.009482 -0.097879 -0.010823 -0.053475 0.000902 0.052573 11.867643 15.685257 1.275288 1.387254 6.787075 -2.977306 13.130597 0.000201 524 C 1.421343 13.817484 28.173253 0.040790 37.786907 0.44206843E+03 0.10450782E+05 9.990536 7.148036 -0.168270 1.952446 0.999180 27.667891 80.119388 0.597766 0.433426 -1.052162 -0.017180 0.003096 -0.023395 0.029190 0.000355 0.006416 -0.006217 0.021948 -0.005336 -0.013876 -0.000699 0.014575 12.939337 16.911865 3.080439 -0.057160 8.741191 -4.689459 13.164954 -0.000020 525 C 2.852838 14.057082 28.210484 0.046685 40.187829 0.43998570E+03 0.10366176E+05 10.374783 7.094062 -0.171477 1.948906 0.999176 27.481988 78.870165 0.606099 0.428926 -1.057261 0.006409 0.003632 -0.000610 0.007392 -0.010014 -0.014571 0.005597 -0.026569 -0.008094 -0.023264 0.000681 0.022584 14.338969 17.486098 5.335718 -3.707161 10.417812 -6.361230 15.112999 0.000345 526 C 3.606150 13.577887 29.209757 -0.272568 40.436930 0.51179499E+03 0.12590991E+05 10.340474 7.589560 -0.173183 1.901214 0.998703 32.201919 96.134276 0.589894 0.422054 -1.055763 0.009037 -0.006784 0.008336 0.014042 -0.022050 0.010838 0.011089 0.025400 -0.043388 -0.031580 -0.001438 0.033018 13.292286 14.083224 4.784699 -2.022528 11.380440 -6.346246 14.413193 0.000278 527 C 3.041674 12.781935 30.266118 0.298393 31.194033 0.35994007E+03 0.80863262E+04 8.909752 6.532714 0.066825 2.043521 0.999829 25.077349 70.884436 0.613192 0.444619 -1.045051 0.104317 -0.014128 0.053569 0.118115 -0.014770 0.027586 -0.021993 0.040664 0.033692 -0.036248 -0.013266 0.049514 11.368841 12.578761 4.154985 -1.855823 10.288119 -5.539015 11.239643 -0.000005 528 C 3.874175 16.877433 25.863457 -0.241489 54.762692 0.88992921E+03 0.25064615E+05 12.626163 10.138022 0.046214 1.876113 0.999884 38.757491 122.574723 0.502132 0.433094 -1.052170 0.134559 -0.367578 0.091750 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7.327752 0.097743 1.992373 0.999639 30.934215 90.753020 0.602134 0.421686 -1.058456 -0.015028 0.016109 -0.006764 0.023046 -0.034136 0.000289 -0.015641 -0.058730 -0.057471 -0.037832 -0.019477 0.057309 11.346276 12.535532 2.091938 -6.103980 9.225591 -3.440148 12.277705 0.002907 532 C 5.392981 15.141364 25.656951 0.073580 26.071971 0.34360153E+03 0.76653906E+04 7.721842 6.198473 0.265549 2.085719 0.999828 27.007497 77.227479 0.654759 0.419320 -1.055593 -0.051592 0.041412 -0.013289 0.067478 -0.030201 -0.000266 0.025607 0.015879 -0.006035 -0.041452 0.002144 0.039308 8.917927 9.495412 1.128406 -4.054422 7.808525 -2.402374 9.449845 0.001122 533 C 15.514974 13.153514 30.200592 0.093817 28.352911 0.34469738E+03 0.76757519E+04 8.229623 6.260826 0.102876 2.045354 0.999586 26.371404 74.695152 0.645010 0.426439 -1.053927 0.044563 0.006891 0.030612 0.054502 0.001109 -0.003779 -0.000284 0.064751 0.082766 -0.046189 0.017220 0.028969 10.407053 7.305174 -2.774128 2.187483 16.862629 -0.964191 7.053355 0.000375 534 C 15.584011 11.774812 30.119180 -0.182129 33.726167 0.42053392E+03 0.97782931E+04 9.033571 6.784957 0.368720 2.096638 0.999684 28.989582 82.149767 0.641682 0.410511 -1.070916 0.008815 0.003591 -0.007539 0.012142 0.010749 0.005854 0.005843 0.019816 0.061202 -0.025027 0.001355 0.023671 11.701270 7.442798 -3.254546 2.174292 20.440167 -1.723455 7.220846 0.000737 535 C 16.386054 11.066170 30.998819 0.137400 37.400846 0.39374869E+03 0.90292421E+04 10.030621 6.771555 -0.235485 1.948663 0.998815 25.941206 73.617965 0.611625 0.436706 -1.051777 -0.001431 -0.012216 0.000099 0.012300 0.002655 -0.038909 -0.007197 0.012021 0.015071 -0.035037 -0.009073 0.044110 15.136283 7.580158 -1.892370 1.904176 29.844900 -1.028053 7.983790 0.000988 536 C 17.145458 11.797147 31.878954 -0.192994 35.753111 0.47375160E+03 0.11438599E+05 9.597773 7.330365 0.056393 1.991604 0.997881 30.568246 90.572245 0.596420 0.425336 -1.053127 -0.000821 0.010884 -0.014495 0.018144 -0.014604 -0.013822 -0.021901 0.027764 -0.087079 -0.045601 0.010594 0.035007 12.255185 7.571496 -0.936209 2.208082 21.267270 0.592294 7.926788 0.005294 537 C 17.050025 13.198185 31.909731 0.094397 29.515773 0.37014101E+03 0.84604260E+04 8.704603 6.671129 -0.114303 1.977828 0.997537 27.394162 80.775456 0.594317 0.450882 -1.030741 -0.032748 0.002194 -0.040538 0.052159 0.005679 -0.029544 0.020532 0.055448 -0.018863 -0.044477 -0.003085 0.047562 10.986523 7.588106 -1.924844 2.201745 17.706705 0.193244 7.664757 0.007019 538 C 16.461182 9.594065 30.946696 0.028280 44.000596 0.44802008E+03 0.10564518E+05 10.894888 7.081694 -0.171473 1.943819 0.999078 27.498765 78.012093 0.618794 0.419767 -1.066887 -0.007020 0.013128 0.006863 0.016393 0.001292 0.012749 -0.009306 -0.022077 -0.017739 -0.021337 0.003089 0.018247 16.650698 7.977210 -0.384778 -3.003973 31.670609 -2.028097 10.304273 0.000111 539 C 15.811426 8.881363 31.939516 -0.276080 42.694539 0.49831610E+03 0.12128857E+05 10.598433 7.407069 0.081986 1.980077 0.999283 31.667616 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30.004013 0.042801 38.728982 0.44057974E+03 0.10396278E+05 10.112017 7.095153 -0.164539 1.948265 0.999407 27.736675 79.979141 0.605791 0.428480 -1.056254 0.020662 -0.011128 0.003225 0.023689 0.000514 -0.007566 -0.013672 -0.002998 0.029376 -0.014037 -0.006052 0.020088 13.947408 8.354588 2.992490 -4.579003 21.929801 -4.037424 11.557836 0.000120 543 C 17.242921 8.889485 29.978696 0.038841 37.293489 0.43075980E+03 0.10091009E+05 9.803488 6.986008 -0.081726 1.975792 0.999503 27.417464 78.354627 0.615393 0.424868 -1.060215 0.024379 0.005013 -0.019289 0.031489 0.000357 -0.019416 -0.003523 0.008380 0.046536 -0.016256 -0.011604 0.027860 13.031944 8.167170 0.984284 -4.498477 19.967322 -1.761639 10.961339 -0.000001 544 C 17.965776 9.598126 28.978430 -0.229711 36.706307 0.49435528E+03 0.12082564E+05 9.704583 7.501102 -0.123387 1.919612 0.998659 31.710638 95.013561 0.587143 0.426818 -1.050576 -0.016460 -0.007826 0.029786 0.034920 0.009085 0.044206 -0.018493 -0.016671 -0.053487 -0.059077 0.021231 0.037846 11.479322 8.302947 1.188873 -4.810299 14.531135 -1.445457 11.603883 0.000042 545 C 18.682538 8.911821 28.067021 0.172242 33.140575 0.44389123E+03 0.10513472E+05 9.240519 7.263948 -0.231804 1.927552 0.999437 27.302834 79.352716 0.580145 0.445759 -1.043933 0.026846 0.018079 -0.033477 0.046565 0.024268 -0.023268 -0.031955 -0.015353 0.019634 -0.028728 -0.025929 0.054657 10.713570 7.417254 1.021897 -4.093574 13.479592 -1.322895 11.243864 0.000001 546 C 18.706904 7.496569 28.052129 -0.154216 33.848554 0.44040561E+03 0.10442919E+05 9.153752 7.049814 -0.003658 1.969783 0.999120 30.186618 88.684100 0.610384 0.423188 -1.054287 -0.006705 -0.008876 0.011063 0.015689 -0.018085 0.012167 0.031172 0.005431 0.015626 -0.042662 0.010871 0.031791 10.495864 7.195311 1.651993 -4.021425 13.125998 -1.992207 11.166281 0.000260 547 C 18.044965 6.830568 29.024596 -0.120156 34.058481 0.44602726E+03 0.10630475E+05 9.279826 7.160784 -0.182734 1.911990 0.999133 30.267111 89.716798 0.596106 0.431113 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0.47462250E+03 0.11523147E+05 9.404668 7.455302 -0.251591 1.888187 0.998446 30.998530 93.638889 0.574473 0.439151 -1.039463 0.001790 -0.029375 0.005678 0.029972 0.001916 -0.017565 -0.001549 -0.036185 0.017558 -0.029722 0.012600 0.017122 10.725575 8.636801 0.860834 4.151598 13.715191 -0.102066 9.824734 0.000945 551 C 19.153612 4.672157 33.731556 -0.151568 34.039918 0.47459304E+03 0.11536155E+05 9.367859 7.443393 -0.260395 1.882367 0.998434 31.397508 95.275095 0.575592 0.437776 -1.039025 -0.018070 0.008543 -0.003416 0.020277 0.022351 0.001453 0.028919 0.041793 -0.043857 -0.046101 0.004585 0.041516 10.485578 7.940400 -0.024977 3.228815 14.425398 -0.125254 9.090937 0.000517 552 C 19.293716 3.275180 33.654116 0.178884 35.455219 0.46482072E+03 0.11213714E+05 9.875565 7.586467 -0.467780 1.853757 0.998727 28.141942 84.426602 0.546786 0.464328 -1.026241 0.022539 -0.022574 0.034864 0.047256 -0.016687 0.025143 -0.029183 0.009048 -0.049625 -0.040170 -0.007802 0.047973 11.288911 9.726293 -0.040256 4.065959 14.722783 0.719586 9.417656 0.000091 553 C 18.530252 2.544204 32.779938 -0.225160 35.770425 0.48290799E+03 0.11737036E+05 9.502560 7.399166 -0.099006 1.927551 0.998908 31.592512 94.479282 0.592761 0.425140 -1.051326 -0.020338 0.005335 -0.013240 0.024847 -0.016973 -0.048082 -0.013163 -0.042409 -0.014290 -0.065548 0.028597 0.036951 10.718373 9.653252 0.947920 4.274296 13.242092 1.720537 9.259776 0.000550 554 C 17.590135 3.159442 31.946466 0.044318 37.278092 0.43936265E+03 0.10362146E+05 9.880603 7.111403 -0.206146 1.940190 0.999126 27.554179 79.476137 0.601673 0.431637 -1.054139 0.020795 -0.004234 0.017586 0.027561 0.003498 0.015474 -0.005601 0.002298 0.031057 -0.017226 -0.003311 0.020537 12.892437 9.927315 2.539999 4.593161 19.168431 1.951625 9.581563 0.000035 555 C 16.753573 2.446740 31.033568 0.039844 40.403352 0.43005540E+03 0.10066913E+05 10.392557 6.989665 -0.175432 1.949760 0.999167 27.309972 77.930127 0.614207 0.426010 -1.059870 -0.010987 -0.007469 0.001414 0.013361 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16.516006 0.213201 32.169850 -0.175161 33.928259 0.46542630E+03 0.11158451E+05 9.234998 7.263081 -0.006598 1.977120 0.998556 29.891601 87.498706 0.601078 0.425033 -1.056094 -0.012616 -0.003892 -0.004614 0.013986 -0.004498 0.013577 0.009846 0.043658 0.032826 -0.030987 0.003343 0.027644 11.399502 5.722799 1.794861 -0.724820 19.031517 0.805128 9.444190 0.000728 562 C 16.319048 19.155643 32.099856 0.089694 27.285016 0.34217772E+03 0.76332167E+04 8.069594 6.279095 0.013859 2.020722 0.999233 26.555285 76.176884 0.635443 0.432089 -1.046675 -0.006713 -0.003689 -0.049645 0.050233 -0.011661 0.007264 -0.006991 0.066508 0.029252 -0.040764 0.007403 0.033361 9.850862 4.991797 0.406908 -0.969343 15.328035 1.004654 9.232754 0.000074 563 C 17.986080 12.323044 39.004423 0.104129 25.486204 0.30343986E+03 0.65880600E+04 7.757164 5.927101 0.231881 2.107911 0.999273 25.696162 73.420275 0.649797 0.434154 -1.042367 0.044385 0.014969 -0.019994 0.050930 0.002686 -0.001284 0.031688 -0.021551 -0.070011 -0.039676 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0.44570475E+03 0.10509262E+05 9.925401 7.076632 -0.034565 1.988211 0.999499 27.540961 78.444559 0.616515 0.421344 -1.064574 0.002000 0.025128 0.013844 0.028759 0.003761 0.005104 0.018635 -0.041345 -0.003554 -0.021403 -0.011031 0.032434 12.842434 6.688090 -1.569739 4.065253 17.570436 -0.767678 14.268776 -0.000088 570 C 0.546202 12.323044 42.477804 -0.233474 36.782661 0.50000135E+03 0.12239481E+05 9.666986 7.505329 -0.073813 1.933695 0.999411 31.847538 95.095411 0.592263 0.422474 -1.054628 -0.003521 -0.030576 -0.012626 0.033267 -0.012495 -0.019879 -0.038966 0.024144 -0.055964 -0.057370 0.025883 0.031488 11.238184 6.116592 -0.829380 2.723554 16.280608 0.990970 11.317352 0.000831 571 C 0.968544 12.826605 43.664224 0.167876 33.270242 0.45772725E+03 0.10915255E+05 9.267724 7.379655 -0.215190 1.932069 0.999393 27.430788 79.771203 0.575682 0.446166 -1.044597 -0.002532 0.041820 0.015378 0.044630 -0.005400 0.000479 -0.001608 -0.074092 -0.084560 -0.028247 -0.023317 0.051564 10.535512 6.197182 -0.838416 2.640161 14.846771 0.147523 10.562583 -0.000027 572 C 1.516776 11.977861 44.696756 -0.153464 33.549106 0.45165096E+03 0.10776977E+05 9.105591 7.138446 -0.001486 1.968453 0.998991 30.392652 89.561491 0.606703 0.423093 -1.054377 -0.000794 -0.013239 -0.004189 0.013909 0.009439 0.011237 0.004022 0.062256 0.063065 -0.043126 0.009856 0.033270 10.227447 6.078059 -0.628793 2.421998 15.235925 -0.020111 9.368356 0.001316 573 C 1.500532 10.631646 44.523509 -0.113277 33.486469 0.44503263E+03 0.10595827E+05 9.181459 7.152643 -0.153636 1.924971 0.998870 30.059879 88.918755 0.596747 0.431095 -1.047876 -0.015251 0.013144 -0.009401 0.022220 0.004559 0.015848 -0.009547 0.041064 0.019647 -0.028456 -0.000245 0.028701 10.486576 5.541549 -0.753164 1.972559 16.502177 0.534335 9.416001 0.000051 574 C 1.051794 10.059047 43.310283 0.044527 37.943812 0.44339636E+03 0.10474118E+05 9.966975 7.118900 -0.172778 1.945577 0.999392 27.705339 79.800090 0.604945 0.428613 -1.056707 -0.006174 0.007105 0.020028 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13.337296 -0.000077 580 C 19.766820 7.425502 45.163878 -0.136776 34.666138 0.49587152E+03 0.12145076E+05 9.464017 7.603778 -0.199280 1.902659 0.998355 31.090065 93.658652 0.571945 0.437241 -1.042868 0.010633 -0.013604 0.019528 0.026067 -0.003679 0.012794 -0.004302 -0.008119 0.022246 -0.015131 -0.001475 0.016606 10.886351 13.412934 -0.658730 -1.136035 8.452905 -3.942072 10.793214 -0.000229 581 C 18.938380 6.958489 46.145281 -0.164940 34.593718 0.48845898E+03 0.11922638E+05 9.406870 7.497746 -0.177885 1.907685 0.998027 31.341868 94.361018 0.581430 0.431583 -1.045911 0.010720 0.000863 -0.010367 0.014938 -0.002793 0.006382 0.018019 0.020553 -0.062126 -0.032028 0.010433 0.021594 10.819129 11.923557 -0.351366 -0.257925 8.352278 -4.240492 12.181550 0.000155 582 C 19.523161 6.257970 47.243340 0.149485 36.618198 0.46851710E+03 0.11262448E+05 9.921271 7.482498 -0.245828 1.919850 0.999300 27.919903 82.104494 0.568591 0.448125 -1.041172 -0.028630 -0.013250 0.031882 0.044852 0.017918 -0.024101 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0.11456444E+05 9.608646 7.336954 0.050989 1.989808 0.997851 30.591540 90.700508 0.595777 0.425616 -1.052811 0.000905 -0.010874 -0.014638 0.018257 -0.014608 0.013812 0.022036 0.027877 -0.090995 -0.046461 0.010778 0.035683 12.271315 7.579934 -0.938005 -2.211722 21.298474 -0.592708 7.935536 0.005169 597 C 3.254875 7.106715 7.089231 0.094633 29.534283 0.37034576E+03 0.84675999E+04 8.712598 6.675749 -0.121052 1.975646 0.997502 27.411902 80.880960 0.593648 0.451257 -1.030365 0.032945 -0.002228 -0.040573 0.052311 0.005572 0.029905 -0.020851 0.055546 -0.021547 -0.044954 -0.003107 0.048061 10.998403 7.595267 -1.927065 -2.205109 17.727937 -0.193526 7.672004 0.006922 598 C 3.843718 10.710835 6.126196 0.028404 43.997455 0.44796928E+03 0.10563140E+05 10.894911 7.081576 -0.171428 1.943870 0.999078 27.497024 78.009396 0.618755 0.419800 -1.066854 0.007001 -0.013161 0.006920 0.016435 0.001262 -0.012781 0.009280 -0.021964 -0.017585 -0.021315 0.003129 0.018187 16.651089 7.977142 -0.383755 3.004298 31.671468 2.026812 10.304657 0.000144 599 C 4.493474 11.423537 7.119016 -0.276004 42.692314 0.49825452E+03 0.12127591E+05 10.598844 7.406891 0.082018 1.980148 0.999281 31.668725 92.823480 0.609440 0.412907 -1.065798 0.010946 0.002811 0.007579 0.013607 -0.000086 0.028219 -0.002091 0.046428 0.055373 -0.032565 -0.011996 0.044562 15.182080 7.537404 2.019077 2.568072 28.071816 4.432783 9.937021 0.000053 600 C 4.450834 12.844880 7.167664 0.295735 32.770473 0.35347142E+03 0.78969987E+04 9.146053 6.423818 0.097070 2.048034 0.999745 25.094369 70.499738 0.626232 0.437788 -1.050179 0.065401 0.008669 0.100592 0.120296 0.007829 0.036110 0.017564 -0.000984 0.011034 -0.036777 -0.007489 0.044266 12.771397 6.788490 2.006528 2.696988 22.553274 3.133824 8.972427 0.000060 601 C 3.725949 13.551490 6.214557 -0.150661 50.400244 0.56935989E+03 0.14289768E+05 11.904646 7.976802 -0.248260 1.884419 0.998785 30.906716 91.184174 0.582325 0.419085 -1.064710 -0.058758 0.074668 -0.024148 0.098036 0.001085 -0.012509 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12.601676 8.668327 1.090544 -4.132461 19.155264 0.448820 9.981439 0.000028 610 C 2.014246 15.025626 8.066662 -0.136637 34.195444 0.47456265E+03 0.11521330E+05 9.404129 7.454884 -0.251577 1.888225 0.998445 30.996133 93.630143 0.574484 0.439157 -1.039460 -0.001815 0.029365 0.005649 0.029958 0.001928 0.017623 0.001577 -0.036101 0.017564 -0.029734 0.012581 0.017153 10.725068 8.636227 0.860680 -4.151211 13.715374 0.102011 9.823603 0.001286 611 C 1.151288 15.632743 8.911056 -0.151617 34.043409 0.47465009E+03 0.11537987E+05 9.368664 7.443916 -0.260754 1.882237 0.998432 31.400228 95.287843 0.575558 0.437785 -1.039011 0.018015 -0.008556 -0.003481 0.020245 0.022349 -0.001476 -0.028937 0.041910 -0.044321 -0.046163 0.004546 0.041617 10.486684 7.940982 -0.025085 -3.228946 14.427942 0.125331 9.091128 0.000593 612 C 1.011184 17.029720 8.833616 0.178818 35.460118 0.46489034E+03 0.11216035E+05 9.876954 7.587359 -0.468132 1.853626 0.998725 28.145801 84.446037 0.546708 0.464368 -1.026199 -0.022607 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25.468988 0.34913281E+03 0.75911962E+04 6.927383 5.728673 0.194791 2.156786 0.997538 25.135570 64.399140 0.799168 0.352491 -1.135636 -0.051049 -0.066983 -0.075747 0.113271 0.036497 0.021762 0.068091 -0.150458 -0.120159 -0.072718 -0.060277 0.132995 8.381549 5.966170 2.827748 2.216145 11.748607 3.382230 7.429869 -0.000049 881 O 5.212268 15.092632 4.497475 -0.479999 20.699164 0.30035452E+03 0.62859396E+04 5.878355 5.245934 0.342649 2.204638 0.998422 24.715681 62.011729 0.851780 0.343592 -1.143563 -0.057386 0.061945 0.074281 0.112463 -0.074211 -0.037372 0.069677 -0.169583 -0.197892 -0.097419 -0.074148 0.171567 6.094790 5.134101 -0.045658 -1.457353 7.837221 1.295097 5.313047 -0.000010 882 O 19.569863 13.537277 16.904250 -0.474475 26.944464 0.38961252E+03 0.87362308E+04 7.179628 6.054847 0.098252 2.132079 0.993837 25.610643 67.370569 0.774123 0.352862 -1.131525 -0.010485 -0.097778 0.043607 0.107573 0.005418 -0.020272 -0.061951 -0.166687 -0.029536 -0.084941 -0.034250 0.119190 8.250288 5.345768 -0.944300 -1.339273 12.653498 -0.585073 6.751597 0.006933 883 O 16.467274 12.272282 18.418300 -0.477996 20.262534 0.29602904E+03 0.61690005E+04 5.776661 5.196431 0.473304 2.252433 0.998263 24.554485 61.346220 0.859247 0.342064 -1.145578 0.059241 0.052558 0.078381 0.111424 0.003337 0.012286 0.115531 -0.045324 0.292591 -0.095816 -0.071556 0.167372 5.945041 6.066091 -0.290778 0.857588 5.385485 2.008352 6.383546 0.000017 884 O 4.988914 5.535116 9.897919 -0.495863 30.327152 0.51201473E+03 0.12221498E+05 7.870844 7.173590 0.367305 2.167994 0.995729 27.596257 73.497285 0.680835 0.376896 -1.119493 -0.013795 -0.013620 0.011830 0.022710 0.110675 0.080456 -0.002636 -0.037870 0.018376 -0.143846 0.011949 0.131897 8.392659 7.418425 1.027024 0.964453 7.943346 2.086938 9.816207 0.003923 885 O 3.041674 4.789926 9.804097 -0.419853 34.777538 0.52601202E+03 0.12715373E+05 8.849038 7.441318 -0.207148 2.013474 0.992221 26.848752 73.360684 0.641856 0.394762 -1.100094 0.047385 0.011602 0.044441 0.065992 -0.010427 -0.052449 -0.021963 0.106969 0.121264 -0.081889 -0.008032 0.089921 10.213934 11.266261 -1.989255 -2.063334 7.285948 2.111614 12.089593 0.051181 886 O 4.562511 3.965547 8.514921 -0.505856 42.287653 0.60323101E+03 0.14914883E+05 9.766456 7.744830 0.105434 2.103356 0.991780 27.203048 72.360175 0.664352 0.372882 -1.128990 0.006358 0.012016 0.010441 0.017142 -0.066204 -0.032384 0.052840 -0.118605 0.248226 -0.130586 0.001373 0.129213 12.009561 8.639260 -3.078830 -2.471906 12.362505 5.479592 15.026919 0.011489 887 O 13.533216 5.084347 4.280543 -0.482048 25.474801 0.34921833E+03 0.75935907E+04 6.928310 5.729237 0.194681 2.156631 0.997537 25.140727 64.416559 0.799150 0.352475 -1.135639 -0.067166 -0.051023 0.075932 0.113491 0.036505 -0.067888 -0.021894 0.150607 -0.120553 -0.072856 -0.060120 0.132976 8.382562 11.749650 2.827894 -3.381856 5.967031 -2.216342 7.431006 -0.000060 888 O 15.092632 5.212268 7.912775 -0.479797 20.687896 0.30015499E+03 0.62806361E+04 5.875905 5.243986 0.343398 2.204999 0.998424 24.709428 61.987763 0.851999 0.343565 -1.143601 0.061882 -0.057379 -0.074140 0.112331 -0.074280 -0.069722 0.037382 0.169414 -0.197683 -0.097366 -0.074191 0.171556 6.092106 7.833938 -0.045321 -1.293976 5.131929 1.456456 5.310453 0.000234 889 O 13.537277 19.569863 45.147000 -0.474323 26.973427 0.39006070E+03 0.87503635E+04 7.186858 6.059342 0.091055 2.129647 0.993773 25.629574 67.475616 0.773503 0.352980 -1.131227 -0.097800 -0.010382 -0.043555 0.107562 0.005346 0.061616 0.019632 0.167011 -0.031610 -0.084448 -0.034706 0.119154 8.259236 12.663531 -0.944347 0.587871 5.351179 1.343840 6.763000 0.007041 890 O 12.272282 16.467274 43.632950 -0.478013 20.260951 0.29600406E+03 0.61683292E+04 5.776255 5.196158 0.473416 2.252484 0.998263 24.553791 61.343065 0.859286 0.342057 -1.145587 0.052546 0.059258 -0.078364 0.111416 0.003362 -0.115530 -0.012294 0.045344 0.292632 -0.095805 -0.071579 0.167384 5.944558 5.384922 -0.290672 -2.008053 6.065878 -0.857295 6.382876 0.000097 891 O 5.535116 4.988914 2.512331 -0.495305 30.240614 0.51013929E+03 0.12164487E+05 7.852525 7.157562 0.372085 2.169835 0.995748 27.568836 73.366047 0.682069 0.376593 -1.119818 -0.013598 -0.013097 -0.012084 0.022416 0.110741 0.002975 -0.080809 0.039435 0.016880 -0.144361 0.012305 0.132056 8.372377 7.925057 1.026542 -2.080699 7.400459 -0.963049 9.791614 0.004846 892 O 4.789926 3.041674 2.606152 -0.419662 34.715454 0.52488412E+03 0.12680178E+05 8.837387 7.432145 -0.202201 2.015573 0.992188 26.823073 73.246422 0.642463 0.394636 -1.100280 0.011257 0.047301 -0.044412 0.065853 -0.011699 0.021562 0.051916 -0.107711 0.118911 -0.082134 -0.007062 0.089195 10.200593 7.275193 -1.985046 -2.109053 11.249337 2.061556 12.077249 0.051623 893 O 3.965547 4.562511 3.895329 -0.505222 42.253276 0.60273096E+03 0.14899406E+05 9.761719 7.742043 0.104713 2.103359 0.991771 27.191689 72.322026 0.664418 0.372923 -1.128961 0.011963 0.006424 -0.010366 0.017083 -0.066115 -0.052840 0.032523 0.118431 0.248792 -0.130566 0.001252 0.129314 12.002621 12.352352 -3.075400 -5.474397 8.634469 2.470251 15.021042 0.011742 894 O 6.771684 15.220553 29.101043 -0.481872 25.468984 0.34912694E+03 0.75910216E+04 6.927306 5.728508 0.194529 2.156685 0.997538 25.136105 64.399892 0.799205 0.352477 -1.135650 0.066974 0.051026 0.075764 0.113266 0.036496 0.068091 0.021769 0.150449 -0.120186 -0.072728 -0.060268 0.132996 8.381556 11.747767 2.827625 3.382423 5.966351 2.216557 7.430549 0.000050 895 O 5.212268 15.092632 32.733275 -0.480000 20.696218 0.30030083E+03 0.62844828E+04 5.877535 5.245246 0.342690 2.204647 0.998422 24.715086 62.006907 0.851896 0.343563 -1.143596 -0.061946 0.057390 -0.074280 0.112465 -0.074220 0.069674 -0.037372 0.169586 -0.197816 -0.097405 -0.074158 0.171563 6.093923 7.835892 -0.045743 1.294988 5.133462 -1.457089 5.312414 0.000285 896 O 6.767623 0.735037 20.326500 -0.474610 26.952523 0.38974778E+03 0.87402295E+04 7.181406 6.056120 0.097052 2.131626 0.993829 25.615545 67.392409 0.773981 0.352888 -1.131477 0.097807 0.010426 -0.043537 0.107566 0.005406 -0.061928 -0.020132 0.166734 -0.029662 -0.084862 -0.034328 0.119189 8.252390 12.656847 -0.944241 -0.586078 5.346903 -1.339601 6.753420 0.007005 897 O 8.032618 3.837626 18.812450 -0.477804 20.242945 0.29567567E+03 0.61595844E+04 5.772054 5.192639 0.474530 2.252995 0.998265 24.545312 61.306170 0.859762 0.341973 -1.145693 -0.052435 -0.059146 -0.078296 0.111256 0.003487 0.115558 0.012411 0.045357 0.292554 -0.095809 -0.071603 0.167412 5.940077 5.380981 -0.290570 2.006034 6.061389 0.856459 6.377860 0.000124 898 O 14.769784 15.315986 27.332831 -0.495312 30.242642 0.51018648E+03 0.12165910E+05 7.852906 7.157928 0.372004 2.169797 0.995747 27.569793 73.369806 0.682046 0.376597 -1.119813 0.013668 0.013082 -0.012131 0.022475 0.110732 -0.002982 0.080809 0.039379 0.016857 -0.144347 0.012299 0.132048 8.372735 7.925580 1.026736 2.080457 7.400888 0.963437 9.791739 0.004780 899 O 15.514974 17.263226 27.426652 -0.419558 34.703278 0.52467212E+03 0.12673643E+05 8.834881 7.430341 -0.201717 2.015799 0.992186 26.818933 73.228507 0.642587 0.394603 -1.100314 -0.011227 -0.047281 -0.044454 0.065861 -0.011731 -0.021560 -0.051931 -0.107704 0.118678 -0.082112 -0.007071 0.089183 10.196969 7.272833 -1.984093 2.107343 11.246220 -2.060241 12.071856 0.051400 900 O 16.339353 15.742389 28.715829 -0.505104 42.246226 0.60263302E+03 0.14896366E+05 9.760584 7.741445 0.104471 2.103333 0.991765 27.189508 72.314507 0.664441 0.372926 -1.128960 -0.011829 -0.006451 -0.010446 0.017048 -0.066121 0.052818 -0.032515 0.118446 0.248794 -0.130576 0.001281 0.129295 12.000527 12.350795 -3.074538 5.472530 8.632922 -2.468526 15.017865 0.011674 ****************************************************** Auxiliary information for the entire system The total spin magnetic moment of the unit cell is 7.556413 The total net atomic charge of the unit cell is -0.000006 Accuracy of reproducing the electrostatic potential in the unit cell: The inner radius (bohr) = 5.0000 The outer radius (bohr) = 12.0000 Valid grid points have density less than (e/(bohr^3)) = 0.0001 The number of valid grid points were= 2081897 The rms potential error without charges in kcal/mol is= 5.03985 The rms potential error with partial charges in kcal/mol is= 1.49445 The RRMSE value at monopole order= 0.29653 The rms potential error with partial charges and cloud penetration in kcal/mol is= 1.49275 The RRMSE value at monopole order with cloud penetration is= 0.29619 The rms potential error with partial charges and atomic dipoles in kcal/mol is= 0.76221 The RRMSE value at dipole order= 0.15124 The rms potential error with partial charges, atomic dipoles and cloud penetration in kcal/mol is= 0.75717 The RRMSE value at dipole order with cloud penetration= 0.15024 ****************************************************** 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.