194 jmolscript: load "" {1 1 1} spacegroup "x,y,z" unitcell [{ 8.557700 0.000000 0.000000 }, { 0.000000 18.802000 0.000000 }, { 0.000000 -2.641140 15.835458 }] Cu 5.860142 12.947306 11.626710 0.714218 Cu 5.860142 1.892984 12.126477 0.714199 Cu 2.697558 3.213554 4.208748 0.714218 Cu 2.697558 14.267876 3.708981 0.714222 Cu 4.747812 7.420145 11.876594 0.749005 Cu 3.809888 8.740715 3.958864 0.749026 H -0.016260 10.391686 11.409447 0.159432 H 1.091963 9.283381 11.482291 0.167704 H 1.450530 10.719994 10.962888 0.178456 H 4.040946 9.132711 15.564672 0.174246 H 4.068331 13.076078 0.601747 0.161825 H 4.748668 10.424222 15.024683 0.174738 H 8.150353 15.022279 0.859865 0.173345 H 7.437497 12.759548 15.350893 0.160397 H 0.089000 16.256832 0.030087 0.169728 H 6.796525 9.042922 13.262196 0.096291 H 5.753342 5.373840 13.639080 0.102157 H 8.407940 8.761918 14.856827 0.115026 H 7.327959 5.012842 15.251130 0.121902 H 4.082879 12.854060 13.916200 0.091161 H 6.337833 15.687344 12.620860 0.098987 H 3.401686 14.098526 15.732528 0.134740 H 5.823515 -1.791970 14.362760 0.140364 H -0.016260 4.448604 12.343740 0.159431 H 1.091963 5.556909 12.270896 0.167704 H 1.450530 4.120296 12.790299 0.178458 H 4.040946 5.707579 8.188515 0.174246 H 4.068331 4.405352 7.315982 0.161826 H 4.748668 4.416068 8.728504 0.174737 H 8.150353 2.459151 7.057864 0.173342 H 7.437497 2.080742 8.402294 0.160395 H 0.089000 1.224598 7.887642 0.169723 H 6.796525 5.797368 10.490991 0.096292 H 5.753342 9.466450 10.114107 0.102157 H 8.407940 6.078372 8.896360 0.115027 H 7.327959 9.827448 8.502057 0.121902 H 4.082879 1.986230 9.836987 0.091164 H 6.337833 -0.847054 11.132327 0.098986 H 3.401686 0.741764 8.020659 0.134742 H 5.823515 16.632260 9.390427 0.140366 H 0.016260 5.769174 4.426011 0.159431 H 7.465737 6.877479 4.353167 0.167702 H 7.107170 5.440866 4.872570 0.178459 H 4.516754 7.028149 0.270786 0.174247 H 4.489369 3.084782 15.233711 0.161828 H 3.809032 5.736638 0.810775 0.174739 H 0.407347 1.138581 14.975593 0.173342 H 1.120203 3.401312 0.484565 0.160396 H 8.468700 2.545168 -0.030087 0.169724 H 1.761175 7.117938 2.573262 0.096291 H 2.804358 10.787020 2.196378 0.102156 H 0.149760 7.398942 0.978631 0.115026 H 1.229741 11.148018 0.584328 0.121900 H 4.474821 3.306800 1.919258 0.091163 H 2.219867 0.473516 3.214598 0.098987 H 5.156014 2.062334 0.102930 0.134740 H 2.734185 17.952830 1.472698 0.140364 H 0.016260 11.712256 3.491718 0.159432 H 7.465737 10.603951 3.564562 0.167704 H 7.107170 12.040564 3.045159 0.178458 H 4.516754 10.453281 7.646943 0.174248 H 4.489369 11.755508 8.519476 0.161827 H 3.809032 11.744792 7.106954 0.174739 H 0.407347 13.701709 8.777594 0.173348 H 1.120203 14.080118 7.433164 0.160398 H 8.468700 14.936262 7.947816 0.169727 H 1.761175 10.363492 5.344467 0.096291 H 2.804358 6.694410 5.721351 0.102158 H 0.149760 10.082488 6.939098 0.115027 H 1.229741 6.333412 7.333401 0.121902 H 4.474821 14.174630 5.998471 0.091164 H 2.219867 17.007914 4.703131 0.098987 H 5.156014 15.419096 7.814799 0.134741 H 2.734185 -0.471400 6.445031 0.140365 C 7.633468 11.942481 13.080088 0.582424 C 0.913107 10.221619 11.583638 -0.522276 C 3.322099 9.294500 12.847307 0.597092 C 4.010994 10.093430 15.542502 -0.526077 C 2.117175 14.369566 1.233582 0.600413 C 8.280431 15.371100 -0.025337 -0.515503 C 0.415904 11.481804 13.734093 -0.153071 C 1.260549 10.666290 13.054752 0.138859 C 2.409848 10.203809 13.640664 -0.156206 C 2.709368 10.542624 14.912251 0.145215 C 1.822790 11.370073 15.632764 -0.178149 C 0.684616 11.828794 15.046852 0.146793 C 6.890660 8.210332 13.666000 0.101065 C 6.295044 6.085013 13.895614 0.097565 C 7.861959 8.040117 14.641464 -0.163983 C 7.246660 5.862712 14.878996 -0.154298 C 8.055363 6.852099 15.304970 0.119791 C 4.407215 13.719732 14.001712 0.101187 C 5.731947 15.367884 13.251111 0.091835 C 3.987032 14.465551 15.110194 -0.161433 C 5.415313 16.178498 14.286750 -0.165542 C 4.461129 15.766001 15.260631 0.107050 C 7.633468 2.897809 10.673099 0.582417 C 0.913107 4.618671 12.169549 -0.522277 C 3.322099 5.545790 10.905880 0.597091 C 4.010994 4.746860 8.210685 -0.526078 C 2.117175 3.111864 6.684147 0.600410 C 8.280431 2.110330 7.943066 -0.515502 C 0.415904 3.358486 10.019094 -0.153067 C 1.260549 4.174000 10.698435 0.138858 C 2.409848 4.636481 10.112523 -0.156205 C 2.709368 4.297666 8.840936 0.145216 C 1.822790 3.470217 8.120423 -0.178150 C 0.684616 3.011496 8.706335 0.146792 C 6.890660 6.629958 10.087187 0.101064 C 6.295044 8.755277 9.857573 0.097564 C 7.861959 6.800173 9.111723 -0.163982 C 7.246660 8.977578 8.874191 -0.154298 C 8.055363 7.988191 8.448217 0.119792 C 4.407215 1.120558 9.751475 0.101187 C 5.731947 -0.527594 10.502076 0.091833 C 3.987032 0.374739 8.642993 -0.161431 C 5.415313 -1.338208 9.466437 -0.165542 C 4.461129 -0.925711 8.492556 0.107051 C 0.924232 4.218379 2.755370 0.582422 C 7.644593 5.939241 4.251820 -0.522275 C 5.235601 6.866360 2.988151 0.597092 C 4.546706 6.067430 0.292956 -0.526076 C 6.440525 1.791294 14.601876 0.600405 C 0.277269 3.430900 0.025337 -0.515501 C 8.141796 4.679056 2.101365 -0.153071 C 7.297151 5.494570 2.780706 0.138858 C 6.147852 5.957051 2.194794 -0.156209 C 5.848332 5.618236 0.923207 0.145214 C 6.734910 4.790787 0.202694 -0.178148 C 7.873084 4.332066 0.788606 0.146790 C 1.667040 7.950528 2.169458 0.101067 C 2.262656 10.075847 1.939844 0.097567 C 0.695741 8.120743 1.193994 -0.163983 C 1.311040 10.298148 0.956462 -0.154296 C 0.502337 9.308761 0.530488 0.119794 C 4.150485 2.441128 1.833746 0.101188 C 2.825753 0.792976 2.584347 0.091835 C 4.570668 1.695309 0.725264 -0.161431 C 3.142387 -0.017638 1.548708 -0.165541 C 4.096571 0.394859 0.574827 0.107044 C 0.924232 13.263051 5.162359 0.582426 C 7.644593 11.542189 3.665909 -0.522274 C 5.235601 10.615070 4.929578 0.597092 C 4.546706 11.414000 7.624773 -0.526076 C 6.440525 13.048996 9.151311 0.600413 C 0.277269 14.050530 7.892392 -0.515502 C 8.141796 12.802374 5.816364 -0.153071 C 7.297151 11.986860 5.137023 0.138858 C 6.147852 11.524379 5.722935 -0.156209 C 5.848332 11.863194 6.994522 0.145212 C 6.734910 12.690643 7.715035 -0.178149 C 7.873084 13.149364 7.129123 0.146789 C 1.667040 9.530902 5.748271 0.101066 C 2.262656 7.405583 5.977885 0.097567 C 0.695741 9.360687 6.723735 -0.163984 C 1.311040 7.183282 6.961267 -0.154295 C 0.502337 8.172669 7.387241 0.119795 C 4.150485 15.040302 6.083983 0.101187 C 2.825753 16.688454 5.333382 0.091835 C 4.570668 15.786121 7.192465 -0.161431 C 3.142387 17.499068 6.369021 -0.165541 C 4.096571 17.086571 7.342902 0.107043 N 6.116188 7.251482 13.304952 -0.200902 N 5.239024 14.153565 13.069003 -0.223163 N 6.116188 7.588808 10.448235 -0.200901 N 5.239024 0.686725 10.684184 -0.223154 N 2.441512 8.909378 2.530506 -0.200904 N 3.318676 2.007295 2.766455 -0.223162 N 2.441512 8.572052 5.387223 -0.200903 N 3.318676 15.474135 5.151274 -0.223163 O 6.603977 11.334528 13.230525 -0.522754 O 7.750709 13.029604 12.356408 -0.526006 O 4.038379 9.771608 11.925683 -0.570638 O 3.386282 8.060679 13.176685 -0.518074 O 2.077810 13.409290 2.076029 -0.509305 O 2.410704 15.522341 1.593047 -0.571139 O 6.603977 3.505762 10.522662 -0.522752 O 7.750709 1.810686 11.396779 -0.525991 O 4.038379 5.068682 11.827504 -0.570635 O 3.386282 6.779611 10.576502 -0.518075 O 2.077810 4.072140 5.841700 -0.509306 O 2.410704 1.959089 6.324682 -0.571142 O 1.953723 4.826332 2.604933 -0.522753 O 0.806991 3.131256 3.479050 -0.526005 O 4.519321 6.389252 3.909775 -0.570647 O 5.171418 8.100181 2.658773 -0.518067 O 6.479890 2.751570 13.759429 -0.509294 O 6.146996 0.638519 14.242411 -0.571133 O 1.953723 12.655098 5.312796 -0.522753 O 0.806991 14.350174 4.438679 -0.526009 O 4.519321 11.092178 4.007954 -0.570649 O 5.171418 9.381249 5.258956 -0.518068 O 6.479890 12.088720 9.993758 -0.509303 O 6.146996 14.201771 9.510776 -0.571140 The following XYZ coordinates are in angstroms. Other properties are in atomic units. The sperically averaged electron density of each atom fit to a function of the form exp(a - br) eigen_1, eigen_2 and eigen_3 are the three eigenvalues of traceless quadrupole moment tensor atom number atomic symbol X Y Z net charge C6 coefficient C8 coefficient C10 coefficient fluctuating dipole atomic polarizability isotropic forcefield polarizability a b squared Pearson coefficient wp_QDO m_QDO q_QDO dipole_x dipole_y dipole_z dipole Qxy Qxz Qyz Q(x^2-y^2) Q(3z^2 - R^2) eigen_1 eigen_2 eigen_3 static polarizability alpha(xx) alpha(xy) alpha(xz) alpha(yy) alpha(yz) alpha(zz) atomic spin moment 1 Cu 5.860142 12.947306 11.626710 0.714218 64.180442 0.11252811E+04 0.31577316E+05 14.321952 11.892604 0.744992 2.117963 0.998214 44.218241 113.876718 0.463093 0.471329 -1.096398 0.028671 -0.072547 -0.049820 0.092559 0.029990 0.012142 0.021368 0.071962 -0.011508 -0.050784 -0.004185 0.054969 17.003026 11.984746 -3.562705 -1.715426 12.570941 4.174844 26.453389 0.616383 2 Cu 5.860142 1.892984 12.126477 0.714199 64.180443 0.11252831E+04 0.31577440E+05 14.322105 11.892744 0.744918 2.117945 0.998213 44.217748 113.876212 0.463081 0.471339 -1.096390 0.028623 0.072546 0.049843 0.092556 -0.029976 -0.012173 0.021387 0.072050 -0.011529 -0.050815 -0.004197 0.055012 17.003192 11.984877 3.562749 1.715417 12.571086 4.174859 26.453613 0.616368 3 Cu 2.697558 3.213554 4.208748 0.714218 64.180684 0.11252861E+04 0.31577490E+05 14.321986 11.892628 0.744989 2.117962 0.998214 44.218328 113.877007 0.463092 0.471329 -1.096398 -0.028680 0.072546 0.049817 0.092559 0.029996 0.012138 0.021361 0.071944 -0.011511 -0.050777 -0.004187 0.054963 17.003068 11.984773 -3.562715 -1.715432 12.570974 4.174862 26.453457 0.616361 4 Cu 2.697558 14.267876 3.708981 0.714222 64.180119 0.11252740E+04 0.31577074E+05 14.321930 11.892587 0.744988 2.117963 0.998214 44.218047 113.876231 0.463092 0.471331 -1.096397 -0.028659 -0.072544 -0.049827 0.092556 -0.029984 -0.012151 0.021370 0.071980 -0.011508 -0.050788 -0.004188 0.054976 17.003001 11.984734 3.562700 1.715415 12.570922 4.174835 26.453347 0.616349 5 Cu 4.747812 7.420145 11.876594 0.749005 66.285177 0.11915063E+04 0.33522787E+05 13.971740 11.784309 1.274826 2.315678 0.994712 42.313144 105.022509 0.498103 0.437062 -1.130428 -0.116917 0.000000 0.000000 0.116917 -0.000000 0.000000 0.006025 0.003113 0.016216 -0.007151 -0.001146 0.008297 16.718744 20.877061 -0.000005 0.000006 11.562957 4.060685 17.716215 0.659287 6 Cu 3.809888 8.740715 3.958864 0.749026 66.283816 0.11914779E+04 0.33521718E+05 13.971425 11.784067 1.274916 2.315709 0.994713 42.312959 105.020912 0.498116 0.437055 -1.130435 0.116914 0.000001 -0.000000 0.116914 0.000000 0.000000 0.006029 0.003121 0.016218 -0.007157 -0.001143 0.008300 16.718339 20.876532 -0.000001 0.000005 11.562700 4.060568 17.715785 0.659315 7 H -0.016260 10.391686 11.409447 0.159432 0.893047 0.65019839E+01 0.61760295E+02 1.642803 1.574532 -1.302404 2.277913 0.994782 3.629262 10.628671 0.450977 1.429843 -0.676666 -0.015561 0.006898 -0.000565 0.017031 -0.002286 -0.000514 -0.000286 0.010357 -0.005133 -0.004853 -0.001687 0.006540 1.677168 2.167860 -0.175156 0.210943 1.374815 0.006208 1.488828 -0.000056 8 H 1.091963 9.283381 11.482291 0.167704 0.874158 0.65641100E+01 0.61855618E+02 1.567564 1.543406 -0.888829 2.478937 0.999117 3.319892 9.362231 0.477625 1.360868 -0.692205 0.005698 -0.015980 0.000538 0.016974 -0.002241 0.000435 -0.000381 -0.010171 -0.004249 -0.004884 -0.001409 0.006293 1.561220 1.396541 -0.152706 0.029104 1.925613 0.122654 1.361505 0.000075 9 H 1.450530 10.719994 10.962888 0.178456 0.881814 0.64902160E+01 0.60089532E+02 1.498864 1.473836 -0.761099 2.544261 0.999982 3.010485 8.017558 0.527103 1.255078 -0.716895 0.010112 0.010225 -0.007724 0.016323 0.003705 -0.003177 -0.002066 -0.004532 0.007870 -0.006070 -0.000243 0.006313 1.498612 1.503513 0.172848 -0.237711 1.371703 -0.234561 1.620619 0.000275 10 H 4.040946 9.132711 15.564672 0.174246 0.899033 0.66704166E+01 0.62913426E+02 1.582589 1.543458 -0.897705 2.476911 0.999188 3.250118 9.076425 0.484895 1.339269 -0.697155 -0.002364 -0.016212 -0.000556 0.016393 -0.002000 0.002997 -0.002028 -0.006901 -0.011798 -0.005978 -0.000726 0.006704 1.590541 1.369124 -0.052379 -0.028184 2.044201 -0.047732 1.358298 0.000258 11 H 4.068331 13.076078 0.601747 0.161825 1.003107 0.73959563E+01 0.71303027E+02 1.675161 1.603444 -1.010628 2.411440 0.999084 3.330412 9.284627 0.487358 1.303601 -0.704607 -0.001616 0.004471 0.012449 0.013326 -0.002167 0.004240 0.000818 0.001102 -0.001837 -0.005055 0.000345 0.004710 1.700607 1.461292 -0.027112 -0.023789 1.467089 0.254026 2.173441 0.000160 12 H 4.748668 10.424222 15.024683 0.174738 0.875178 0.61828957E+01 0.57592067E+02 1.591744 1.512395 -0.990215 2.435966 0.998357 3.321440 9.415552 0.473986 1.387299 -0.686567 0.010456 0.006072 -0.011211 0.016489 0.001404 0.000084 -0.002497 0.002994 0.009302 -0.004360 0.000333 0.004027 1.639155 1.973756 0.221710 -0.409437 1.409006 -0.156430 1.534704 0.000168 13 H 8.150353 15.022279 0.859865 0.173345 0.904597 0.65526114E+01 0.60510928E+02 1.495668 1.457316 -0.773524 2.537865 0.999909 2.970258 7.772972 0.545711 1.215414 -0.726276 0.000582 -0.010222 0.014878 0.018060 -0.001902 -0.000895 -0.003823 -0.004553 0.008783 -0.005144 -0.000714 0.005858 1.494713 1.299190 0.003726 -0.068747 1.318277 -0.242982 1.866673 0.000062 14 H 7.437497 12.759548 15.350893 0.160397 0.931031 0.66204503E+01 0.62151016E+02 1.594261 1.516016 -0.973188 2.431767 0.998826 3.302268 9.116957 0.501180 1.301821 -0.704079 -0.012149 -0.002799 -0.009284 0.015544 -0.001618 0.001767 0.000507 0.005470 -0.001223 -0.003331 -0.000632 0.003963 1.618999 2.032231 -0.106610 0.382209 1.308350 0.006915 1.516416 -0.000070 15 H 0.089000 16.256832 0.030087 0.169728 0.958192 0.70691543E+01 0.66510571E+02 1.551292 1.510610 -0.821418 2.506667 0.999848 3.052068 8.053782 0.537792 1.210511 -0.727235 0.009741 0.011177 -0.001433 0.014895 0.004603 -0.004123 0.000613 -0.003594 -0.007622 -0.007007 0.000371 0.006635 1.556080 1.426416 0.236463 0.055722 1.994453 0.084854 1.247373 0.000231 16 H 6.796525 9.042922 13.262196 0.096291 0.986702 0.69333858E+01 0.66794364E+02 1.730779 1.607461 -1.224028 2.289353 0.994629 3.853440 11.293231 0.454930 1.397548 -0.681865 -0.005500 0.038874 -0.018203 0.043275 0.002957 0.005686 -0.009495 -0.001335 -0.004438 -0.012709 0.002866 0.009843 1.783097 1.471120 -0.061933 0.077899 2.280012 -0.410342 1.598157 0.000701 17 H 5.753342 5.373840 13.639080 0.102157 1.057420 0.75343897E+01 0.73912125E+02 1.798402 1.665809 -1.274139 2.274080 0.994452 3.812766 11.178452 0.452069 1.381128 -0.685700 -0.027253 -0.038653 -0.011308 0.048628 0.009670 0.003281 0.001010 -0.008549 -0.021424 -0.009428 -0.005041 0.014469 1.861989 1.879561 0.456510 0.279151 2.050543 0.163318 1.655862 0.000700 18 H 8.407940 8.761918 14.856827 0.115026 1.007338 0.73253298E+01 0.70994104E+02 1.701239 1.612808 -1.308181 2.256587 0.993697 3.716521 10.651215 0.474615 1.331587 -0.695533 0.020454 0.024992 0.009499 0.033663 0.002961 0.008562 0.001434 -0.003813 -0.005944 -0.010105 0.001294 0.008811 1.731559 1.776572 0.421983 0.227005 1.908484 0.054214 1.509622 0.000346 19 H 7.327959 5.012842 15.251130 0.121902 0.972522 0.69691324E+01 0.67087276E+02 1.701666 1.603974 -1.286240 2.272976 0.994274 3.733706 10.865048 0.459618 1.384355 -0.684888 0.004851 -0.028966 0.012907 0.032081 -0.001000 0.006723 -0.003712 -0.002766 -0.014793 -0.009793 0.002034 0.007759 1.739475 1.455614 0.024658 0.116127 2.105796 -0.374835 1.657015 0.000467 20 H 4.082879 12.854060 13.916200 0.091161 1.107011 0.78003174E+01 0.77031721E+02 1.842323 1.685198 -1.227577 2.291447 0.994498 3.822579 11.170698 0.454284 1.365278 -0.689071 -0.015793 -0.043615 -0.001121 0.046400 0.005192 -0.002576 0.001644 -0.014359 -0.001802 -0.009541 0.000317 0.009224 1.935380 1.667150 0.455765 -0.055017 2.663239 0.120240 1.475751 0.000502 21 H 6.337833 15.687344 12.620860 0.098987 1.206401 0.87046118E+01 0.86340561E+02 1.809557 1.678734 -0.804340 2.498015 0.999288 3.364469 9.139575 0.508622 1.214075 -0.726121 0.034962 0.017632 -0.030090 0.049383 0.014579 -0.014226 0.000296 -0.002293 0.000226 -0.020827 0.000874 0.019952 1.844160 1.736187 0.170986 -0.478441 1.728918 -0.244005 2.067377 0.000216 22 H 3.401686 14.098526 15.732528 0.134740 0.954066 0.66292453E+01 0.62665821E+02 1.641048 1.533531 -1.285634 2.274262 0.995395 3.585255 10.148658 0.487065 1.330309 -0.695680 -0.020120 -0.012193 0.023471 0.033233 0.000258 -0.003391 0.005672 -0.004678 -0.002414 -0.006780 -0.000510 0.007290 1.681231 1.639531 0.293574 -0.424755 1.686782 -0.158917 1.717378 0.000296 23 H 5.823515 -1.791970 14.362760 0.140364 0.987454 0.66642033E+01 0.62641360E+02 1.645501 1.512408 -1.115459 2.366310 0.997139 3.374470 9.310801 0.506258 1.287125 -0.706346 0.017212 0.033149 0.002083 0.037410 0.006219 -0.009130 0.002579 0.001126 0.001674 -0.012222 0.001964 0.010258 1.724446 1.398631 0.332579 -0.038266 2.345527 0.195723 1.429181 0.000202 24 H -0.016260 4.448604 12.343740 0.159431 0.893048 0.65019899E+01 0.61760360E+02 1.642804 1.574532 -1.302405 2.277913 0.994782 3.629261 10.628665 0.450977 1.429842 -0.676666 -0.015561 -0.006898 0.000565 0.017031 0.002286 0.000514 -0.000286 0.010357 -0.005133 -0.004853 -0.001687 0.006540 1.677168 2.167860 0.175156 -0.210943 1.374815 0.006208 1.488828 -0.000055 25 H 1.091963 5.556909 12.270896 0.167704 0.874157 0.65641041E+01 0.61855547E+02 1.567563 1.543406 -0.888828 2.478937 0.999117 3.319889 9.362221 0.477625 1.360868 -0.692205 0.005698 0.015980 -0.000538 0.016974 0.002241 -0.000435 -0.000381 -0.010171 -0.004248 -0.004884 -0.001409 0.006293 1.561219 1.396540 0.152707 -0.029104 1.925612 0.122655 1.361505 0.000078 26 H 1.450530 4.120296 12.790299 0.178458 0.881805 0.64901233E+01 0.60088422E+02 1.498850 1.473823 -0.761092 2.544266 0.999982 3.010462 8.017464 0.527108 1.255073 -0.716896 0.010112 -0.010225 0.007724 0.016324 -0.003705 0.003177 -0.002066 -0.004532 0.007870 -0.006071 -0.000243 0.006313 1.498597 1.503499 -0.172845 0.237708 1.371691 -0.234558 1.620602 0.000281 27 H 4.040946 5.707579 8.188515 0.174246 0.899035 0.66704415E+01 0.62913718E+02 1.582591 1.543460 -0.897706 2.476910 0.999188 3.250125 9.076448 0.484895 1.339268 -0.697155 -0.002364 0.016212 0.000556 0.016393 0.002000 -0.002997 -0.002028 -0.006900 -0.011798 -0.005978 -0.000726 0.006704 1.590544 1.369126 0.052379 0.028185 2.044205 -0.047732 1.358300 0.000256 28 H 4.068331 4.405352 7.315982 0.161826 1.003108 0.73959742E+01 0.71303277E+02 1.675165 1.603448 -1.010632 2.411439 0.999084 3.330419 9.284666 0.487356 1.303605 -0.704606 -0.001616 -0.004471 -0.012449 0.013326 0.002167 -0.004240 0.000818 0.001102 -0.001838 -0.005055 0.000345 0.004710 1.700612 1.461296 0.027112 0.023789 1.467093 0.254027 2.173447 0.000159 29 H 4.748668 4.416068 8.728504 0.174737 0.875176 0.61828742E+01 0.57591826E+02 1.591743 1.512394 -0.990214 2.435966 0.998357 3.321436 9.415543 0.473985 1.387302 -0.686567 0.010457 -0.006072 0.011211 0.016489 -0.001404 -0.000084 -0.002497 0.002994 0.009302 -0.004360 0.000333 0.004027 1.639154 1.973754 -0.221710 0.409437 1.409005 -0.156430 1.534703 0.000169 30 H 8.150353 2.459151 7.057864 0.173342 0.904601 0.65526480E+01 0.60511418E+02 1.495680 1.457327 -0.773522 2.537867 0.999909 2.970266 7.773031 0.545704 1.215426 -0.726273 0.000583 0.010222 -0.014878 0.018061 0.001902 0.000895 -0.003823 -0.004553 0.008784 -0.005144 -0.000714 0.005859 1.494725 1.299199 -0.003726 0.068748 1.318287 -0.242985 1.866691 0.000062 31 H 7.437497 2.080742 8.402294 0.160395 0.931037 0.66205009E+01 0.62151629E+02 1.594269 1.516024 -0.973190 2.431764 0.998826 3.302282 9.117015 0.501178 1.301824 -0.704079 -0.012149 0.002799 0.009284 0.015544 0.001618 -0.001767 0.000507 0.005470 -0.001223 -0.003331 -0.000632 0.003963 1.619008 2.032244 0.106611 -0.382213 1.308356 0.006915 1.516424 -0.000070 32 H 0.089000 1.224598 7.887642 0.169723 0.958201 0.70692417E+01 0.66511641E+02 1.551307 1.510624 -0.821427 2.506662 0.999848 3.052086 8.053861 0.537787 1.210517 -0.727234 0.009741 -0.011177 0.001432 0.014895 -0.004603 0.004123 0.000613 -0.003593 -0.007622 -0.007007 0.000371 0.006635 1.556096 1.426429 -0.236467 -0.055723 1.994476 0.084855 1.247383 0.000234 33 H 6.796525 5.797368 10.490991 0.096292 0.986699 0.69333650E+01 0.66794110E+02 1.730776 1.607458 -1.224025 2.289355 0.994629 3.853433 11.293204 0.454931 1.397548 -0.681865 -0.005499 -0.038874 0.018203 0.043276 -0.002957 -0.005686 -0.009495 -0.001335 -0.004438 -0.012709 0.002866 0.009843 1.783093 1.471118 0.061932 -0.077899 2.280008 -0.410341 1.598154 0.000702 34 H 5.753342 9.466450 10.114107 0.102157 1.057418 0.75343677E+01 0.73911882E+02 1.798402 1.665809 -1.274135 2.274082 0.994452 3.812767 11.178466 0.452068 1.381131 -0.685699 -0.027253 0.038654 0.011308 0.048628 -0.009670 -0.003281 0.001010 -0.008549 -0.021424 -0.009428 -0.005041 0.014469 1.861989 1.879561 -0.456510 -0.279151 2.050543 0.163318 1.655862 0.000698 35 H 8.407940 6.078372 8.896360 0.115027 1.007338 0.73253354E+01 0.70994170E+02 1.701239 1.612809 -1.308180 2.256587 0.993697 3.716522 10.651218 0.474615 1.331587 -0.695533 0.020453 -0.024993 -0.009499 0.033663 -0.002960 -0.008562 0.001434 -0.003813 -0.005944 -0.010105 0.001294 0.008811 1.731559 1.776572 -0.421983 -0.227005 1.908484 0.054214 1.509622 0.000346 36 H 7.327959 9.827448 8.502057 0.121902 0.972523 0.69691403E+01 0.67087376E+02 1.701668 1.603975 -1.286240 2.272976 0.994274 3.733711 10.865067 0.459618 1.384355 -0.684888 0.004851 0.028966 -0.012907 0.032081 0.001000 -0.006723 -0.003712 -0.002766 -0.014793 -0.009793 0.002035 0.007759 1.739476 1.455615 -0.024658 -0.116127 2.105798 -0.374835 1.657016 0.000465 37 H 4.082879 1.986230 9.836987 0.091164 1.107007 0.78002805E+01 0.77031243E+02 1.842317 1.685193 -1.227572 2.291450 0.994498 3.822564 11.170636 0.454286 1.365275 -0.689071 -0.015793 0.043615 0.001122 0.046399 -0.005192 0.002575 0.001644 -0.014359 -0.001800 -0.009542 0.000317 0.009224 1.935373 1.667144 -0.455763 0.055016 2.663230 0.120239 1.475746 0.000504 38 H 6.337833 -0.847054 11.132327 0.098986 1.206409 0.87046844E+01 0.86341493E+02 1.809568 1.678743 -0.804351 2.498010 0.999288 3.364480 9.139627 0.508619 1.214079 -0.726120 0.034962 -0.017632 0.030091 0.049383 -0.014579 0.014226 0.000296 -0.002293 0.000227 -0.020827 0.000874 0.019953 1.844172 1.736197 -0.170987 0.478445 1.728928 -0.244007 2.067391 0.000216 39 H 3.401686 0.741764 8.020659 0.134742 0.954063 0.66292277E+01 0.62665634E+02 1.641047 1.533531 -1.285631 2.274264 0.995395 3.585253 10.148662 0.487064 1.330311 -0.695679 -0.020120 0.012194 -0.023471 0.033233 -0.000258 0.003391 0.005672 -0.004677 -0.002414 -0.006780 -0.000510 0.007290 1.681230 1.639530 -0.293574 0.424754 1.686782 -0.158917 1.717377 0.000298 40 H 5.823515 16.632260 9.390427 0.140366 0.987453 0.66641946E+01 0.62641263E+02 1.645500 1.512407 -1.115456 2.366311 0.997139 3.374470 9.310803 0.506259 1.287126 -0.706345 0.017212 -0.033149 -0.002083 0.037410 -0.006219 0.009130 0.002579 0.001126 0.001674 -0.012222 0.001964 0.010258 1.724445 1.398630 -0.332579 0.038266 2.345525 0.195723 1.429180 0.000202 41 H 0.016260 5.769174 4.426011 0.159431 0.893043 0.65019521E+01 0.61759932E+02 1.642802 1.574530 -1.302408 2.277912 0.994782 3.629255 10.628654 0.450976 1.429847 -0.676665 0.015561 -0.006898 0.000565 0.017031 -0.002286 -0.000514 -0.000286 0.010357 -0.005133 -0.004853 -0.001687 0.006540 1.677165 2.167857 -0.175156 0.210943 1.374813 0.006208 1.488826 -0.000060 42 H 7.465737 6.877479 4.353167 0.167702 0.874158 0.65641019E+01 0.61855492E+02 1.567561 1.543403 -0.888820 2.478940 0.999117 3.319885 9.362193 0.477626 1.360865 -0.692206 -0.005698 0.015980 -0.000538 0.016974 -0.002241 0.000435 -0.000381 -0.010171 -0.004249 -0.004884 -0.001409 0.006293 1.561217 1.396538 -0.152706 0.029104 1.925609 0.122654 1.361503 0.000061 43 H 7.107170 5.440866 4.872570 0.178459 0.881808 0.64901578E+01 0.60088853E+02 1.498857 1.473829 -0.761091 2.544266 0.999982 3.010471 8.017509 0.527105 1.255077 -0.716895 -0.010111 -0.010225 0.007724 0.016324 0.003705 -0.003177 -0.002066 -0.004532 0.007871 -0.006070 -0.000243 0.006313 1.498604 1.503506 0.172846 -0.237710 1.371697 -0.234559 1.620610 0.000270 44 H 4.516754 7.028149 0.270786 0.174247 0.899030 0.66703895E+01 0.62913089E+02 1.582584 1.543453 -0.897694 2.476916 0.999188 3.250109 9.076386 0.484897 1.339266 -0.697155 0.002364 0.016212 0.000556 0.016393 -0.002000 0.002997 -0.002028 -0.006901 -0.011798 -0.005978 -0.000726 0.006704 1.590536 1.369120 -0.052378 -0.028184 2.044194 -0.047733 1.358294 0.000257 45 H 4.489369 3.084782 15.233711 0.161828 1.003087 0.73957658E+01 0.71300689E+02 1.675135 1.603421 -1.010611 2.411451 0.999084 3.330367 9.284451 0.487363 1.303597 -0.704608 0.001616 -0.004471 -0.012450 0.013326 -0.002167 0.004240 0.000819 0.001102 -0.001835 -0.005055 0.000345 0.004710 1.700581 1.461271 -0.027111 -0.023788 1.467068 0.254020 2.173403 0.000164 46 H 3.809032 5.736638 0.810775 0.174739 0.875176 0.61828729E+01 0.57591783E+02 1.591739 1.512391 -0.990210 2.435968 0.998357 3.321430 9.415508 0.473987 1.387296 -0.686568 -0.010457 -0.006072 0.011210 0.016489 0.001404 0.000084 -0.002497 0.002994 0.009302 -0.004360 0.000333 0.004027 1.639150 1.973749 0.221709 -0.409434 1.409002 -0.156429 1.534698 0.000165 47 H 0.407347 1.138581 14.975593 0.173342 0.904603 0.65526747E+01 0.60511736E+02 1.495684 1.457331 -0.773527 2.537865 0.999909 2.970271 7.773053 0.545703 1.215427 -0.726273 -0.000582 0.010222 -0.014878 0.018061 -0.001902 -0.000895 -0.003823 -0.004553 0.008784 -0.005144 -0.000714 0.005859 1.494730 1.299202 0.003726 -0.068749 1.318290 -0.242986 1.866697 0.000068 48 H 1.120203 3.401312 0.484565 0.160396 0.931031 0.66204461E+01 0.62150993E+02 1.594264 1.516018 -0.973183 2.431769 0.998826 3.302269 9.116974 0.501178 1.301826 -0.704078 0.012149 0.002799 0.009284 0.015544 -0.001618 0.001767 0.000507 0.005470 -0.001224 -0.003331 -0.000632 0.003963 1.619002 2.032235 -0.106610 0.382211 1.308351 0.006915 1.516419 -0.000069 49 H 8.468700 2.545168 -0.030087 0.169724 0.958201 0.70692455E+01 0.66511699E+02 1.551309 1.510625 -0.821424 2.506664 0.999848 3.052086 8.053868 0.537786 1.210519 -0.727233 -0.009741 -0.011177 0.001432 0.014895 0.004603 -0.004123 0.000613 -0.003594 -0.007622 -0.007007 0.000371 0.006635 1.556097 1.426430 0.236468 0.055723 1.994478 0.084855 1.247384 0.000233 50 H 1.761175 7.117938 2.573262 0.096291 0.986700 0.69333715E+01 0.66794196E+02 1.730778 1.607460 -1.224030 2.289353 0.994629 3.853436 11.293219 0.454930 1.397549 -0.681865 0.005499 -0.038874 0.018202 0.043276 0.002957 0.005686 -0.009494 -0.001335 -0.004437 -0.012709 0.002866 0.009843 1.783095 1.471119 -0.061933 0.077899 2.280011 -0.410342 1.598156 0.000692 51 H 2.804358 10.787020 2.196378 0.102156 1.057418 0.75343680E+01 0.73911883E+02 1.798403 1.665809 -1.274143 2.274079 0.994452 3.812766 11.178462 0.452068 1.381131 -0.685699 0.027253 0.038654 0.011307 0.048628 0.009671 0.003281 0.001010 -0.008549 -0.021424 -0.009428 -0.005041 0.014469 1.861989 1.879561 0.456510 0.279152 2.050544 0.163318 1.655862 0.000688 52 H 0.149760 7.398942 0.978631 0.115026 1.007334 0.73252958E+01 0.70993684E+02 1.701235 1.612804 -1.308181 2.256587 0.993698 3.716510 10.651173 0.474616 1.331587 -0.695533 -0.020453 -0.024993 -0.009499 0.033663 0.002960 0.008562 0.001434 -0.003813 -0.005944 -0.010105 0.001294 0.008811 1.731555 1.776567 0.421981 0.227004 1.908479 0.054214 1.509618 0.000344 53 H 1.229741 11.148018 0.584328 0.121900 0.972518 0.69690946E+01 0.67086854E+02 1.701666 1.603974 -1.286243 2.272976 0.994274 3.733702 10.865049 0.459617 1.384361 -0.684887 -0.004851 0.028966 -0.012907 0.032081 -0.001000 0.006723 -0.003712 -0.002766 -0.014793 -0.009793 0.002034 0.007759 1.739474 1.455613 0.024658 0.116127 2.105795 -0.374835 1.657014 0.000467 54 H 4.474821 3.306800 1.919258 0.091163 1.107009 0.78003018E+01 0.77031522E+02 1.842320 1.685196 -1.227572 2.291450 0.994498 3.822574 11.170677 0.454285 1.365277 -0.689071 0.015793 0.043615 0.001121 0.046399 0.005192 -0.002576 0.001644 -0.014359 -0.001802 -0.009541 0.000317 0.009224 1.935377 1.667147 0.455764 -0.055017 2.663234 0.120240 1.475749 0.000498 55 H 2.219867 0.473516 3.214598 0.098987 1.206398 0.87045784E+01 0.86340116E+02 1.809551 1.678728 -0.804342 2.498015 0.999288 3.364462 9.139539 0.508624 1.214072 -0.726121 -0.034962 -0.017631 0.030090 0.049383 0.014579 -0.014226 0.000296 -0.002292 0.000227 -0.020827 0.000874 0.019953 1.844154 1.736181 0.170985 -0.478438 1.728911 -0.244004 2.067369 0.000210 56 H 5.156014 2.062334 0.102930 0.134740 0.954064 0.66292320E+01 0.62665651E+02 1.641045 1.533529 -1.285631 2.274264 0.995395 3.585248 10.148628 0.487066 1.330307 -0.695680 0.020120 0.012193 -0.023471 0.033232 0.000258 -0.003391 0.005672 -0.004677 -0.002414 -0.006780 -0.000510 0.007290 1.681228 1.639528 0.293573 -0.424754 1.686779 -0.158916 1.717375 0.000297 57 H 2.734185 17.952830 1.472698 0.140364 0.987456 0.66642198E+01 0.62641539E+02 1.645502 1.512408 -1.115464 2.366307 0.997139 3.374473 9.310804 0.506259 1.287123 -0.706346 -0.017212 -0.033149 -0.002083 0.037410 0.006219 -0.009130 0.002579 0.001126 0.001674 -0.012222 0.001964 0.010258 1.724447 1.398631 0.332580 -0.038266 2.345530 0.195723 1.429181 0.000199 58 H 0.016260 11.712256 3.491718 0.159432 0.893045 0.65019688E+01 0.61760129E+02 1.642803 1.574532 -1.302410 2.277911 0.994782 3.629259 10.628668 0.450976 1.429846 -0.676665 0.015561 0.006898 -0.000565 0.017031 0.002286 0.000514 -0.000286 0.010357 -0.005133 -0.004853 -0.001687 0.006540 1.677167 2.167859 0.175156 -0.210943 1.374814 0.006208 1.488828 -0.000059 59 H 7.465737 10.603951 3.564562 0.167704 0.874154 0.65640682E+01 0.61855094E+02 1.567556 1.543399 -0.888816 2.478943 0.999117 3.319876 9.362161 0.477627 1.360864 -0.692206 -0.005698 -0.015980 0.000538 0.016974 0.002241 -0.000435 -0.000381 -0.010171 -0.004249 -0.004884 -0.001409 0.006293 1.561212 1.396535 0.152705 -0.029104 1.925603 0.122653 1.361500 0.000062 60 H 7.107170 12.040564 3.045159 0.178458 0.881807 0.64901451E+01 0.60088693E+02 1.498854 1.473827 -0.761091 2.544266 0.999982 3.010467 8.017490 0.527106 1.255076 -0.716896 -0.010112 0.010225 -0.007724 0.016324 -0.003705 0.003177 -0.002066 -0.004532 0.007871 -0.006071 -0.000243 0.006313 1.498602 1.503503 -0.172846 0.237709 1.371695 -0.234559 1.620607 0.000272 61 H 4.516754 10.453281 7.646943 0.174248 0.899029 0.66703814E+01 0.62913005E+02 1.582584 1.543453 -0.897696 2.476916 0.999188 3.250110 9.076394 0.484896 1.339268 -0.697155 0.002364 -0.016212 -0.000556 0.016393 0.002000 -0.002997 -0.002028 -0.006901 -0.011798 -0.005978 -0.000726 0.006704 1.590536 1.369120 0.052378 0.028184 2.044194 -0.047732 1.358294 0.000253 62 H 4.489369 11.755508 8.519476 0.161827 1.003106 0.73959543E+01 0.71303055E+02 1.675165 1.603448 -1.010630 2.411441 0.999084 3.330415 9.284661 0.487355 1.303607 -0.704606 0.001616 0.004471 0.012449 0.013326 0.002167 -0.004240 0.000818 0.001102 -0.001838 -0.005055 0.000345 0.004710 1.700611 1.461295 0.027112 0.023789 1.467092 0.254026 2.173447 0.000161 63 H 3.809032 11.744792 7.106954 0.174739 0.875180 0.61829139E+01 0.57592276E+02 1.591746 1.512397 -0.990217 2.435964 0.998357 3.321445 9.415568 0.473986 1.387298 -0.686567 -0.010456 0.006072 -0.011211 0.016489 -0.001404 -0.000084 -0.002497 0.002994 0.009302 -0.004360 0.000333 0.004027 1.639157 1.973758 -0.221710 0.409438 1.409007 -0.156430 1.534706 0.000162 64 H 0.407347 13.701709 8.777594 0.173348 0.904595 0.65525918E+01 0.60510730E+02 1.495668 1.457316 -0.773516 2.537870 0.999909 2.970255 7.772975 0.545709 1.215418 -0.726275 -0.000582 -0.010222 0.014878 0.018061 0.001902 0.000895 -0.003823 -0.004553 0.008784 -0.005144 -0.000714 0.005858 1.494713 1.299190 -0.003726 0.068747 1.318277 -0.242982 1.866673 0.000062 65 H 1.120203 14.080118 7.433164 0.160398 0.931034 0.66204759E+01 0.62151335E+02 1.594265 1.516020 -0.973191 2.431764 0.998826 3.302276 9.116994 0.501179 1.301823 -0.704079 0.012149 -0.002799 -0.009284 0.015544 0.001618 -0.001767 0.000507 0.005470 -0.001223 -0.003331 -0.000632 0.003963 1.619004 2.032238 0.106611 -0.382211 1.308353 0.006915 1.516420 -0.000072 66 H 8.468700 14.936262 7.947816 0.169727 0.958195 0.70691917E+01 0.66511063E+02 1.551302 1.510619 -0.821420 2.506667 0.999848 3.052076 8.053832 0.537787 1.210518 -0.727233 -0.009741 0.011177 -0.001432 0.014895 -0.004603 0.004123 0.000613 -0.003594 -0.007622 -0.007007 0.000371 0.006635 1.556090 1.426424 -0.236466 -0.055723 1.994467 0.084855 1.247379 0.000232 67 H 1.761175 10.363492 5.344467 0.096291 0.986703 0.69333988E+01 0.66794525E+02 1.730781 1.607463 -1.224032 2.289351 0.994629 3.853445 11.293251 0.454930 1.397548 -0.681865 0.005499 0.038874 -0.018203 0.043276 -0.002957 -0.005686 -0.009495 -0.001335 -0.004438 -0.012709 0.002866 0.009843 1.783099 1.471122 0.061933 -0.077899 2.280016 -0.410343 1.598159 0.000692 68 H 2.804358 6.694410 5.721351 0.102158 1.057415 0.75343450E+01 0.73911613E+02 1.798401 1.665807 -1.274141 2.274080 0.994452 3.812761 11.178449 0.452068 1.381132 -0.685699 0.027253 -0.038654 -0.011308 0.048628 -0.009671 -0.003281 0.001010 -0.008549 -0.021424 -0.009428 -0.005041 0.014469 1.861987 1.879559 -0.456510 -0.279151 2.050542 0.163318 1.655860 0.000687 69 H 0.149760 10.082488 6.939098 0.115027 1.007338 0.73253373E+01 0.70994186E+02 1.701239 1.612808 -1.308181 2.256587 0.993697 3.716522 10.651214 0.474616 1.331585 -0.695533 -0.020453 0.024992 0.009499 0.033663 -0.002961 -0.008562 0.001434 -0.003813 -0.005944 -0.010105 0.001294 0.008811 1.731559 1.776571 -0.421983 -0.227005 1.908483 0.054214 1.509621 0.000342 70 H 1.229741 6.333412 7.333401 0.121902 0.972519 0.69691075E+01 0.67087002E+02 1.701666 1.603974 -1.286245 2.272975 0.994274 3.733704 10.865053 0.459617 1.384359 -0.684887 -0.004851 -0.028966 0.012907 0.032081 0.001000 -0.006723 -0.003711 -0.002766 -0.014793 -0.009793 0.002034 0.007759 1.739474 1.455613 -0.024658 -0.116127 2.105796 -0.374835 1.657014 0.000467 71 H 4.474821 14.174630 5.998471 0.091164 1.107013 0.78003367E+01 0.77031944E+02 1.842323 1.685198 -1.227577 2.291447 0.994498 3.822582 11.170702 0.454285 1.365275 -0.689071 0.015793 -0.043614 -0.001121 0.046399 -0.005192 0.002576 0.001644 -0.014359 -0.001802 -0.009542 0.000317 0.009224 1.935380 1.667150 -0.455765 0.055017 2.663239 0.120240 1.475751 0.000497 72 H 2.219867 17.007914 4.703131 0.098987 1.206402 0.87046185E+01 0.86340602E+02 1.809554 1.678731 -0.804347 2.498012 0.999288 3.364469 9.139559 0.508624 1.214070 -0.726122 -0.034962 0.017632 -0.030090 0.049383 -0.014579 0.014226 0.000296 -0.002292 0.000226 -0.020827 0.000874 0.019953 1.844157 1.736184 -0.170985 0.478439 1.728914 -0.244004 2.067373 0.000209 73 H 5.156014 15.419096 7.814799 0.134741 0.954067 0.66292531E+01 0.62665915E+02 1.641048 1.533532 -1.285632 2.274262 0.995395 3.585258 10.148669 0.487065 1.330308 -0.695680 0.020120 -0.012193 0.023471 0.033232 -0.000258 0.003391 0.005672 -0.004678 -0.002414 -0.006780 -0.000510 0.007290 1.681231 1.639532 -0.293574 0.424755 1.686783 -0.158917 1.717379 0.000296 74 H 2.734185 -0.471400 6.445031 0.140365 0.987451 0.66641808E+01 0.62641108E+02 1.645499 1.512406 -1.115457 2.366311 0.997139 3.374467 9.310796 0.506258 1.287127 -0.706345 -0.017213 0.033149 0.002083 0.037410 -0.006219 0.009130 0.002579 0.001127 0.001674 -0.012222 0.001964 0.010258 1.724445 1.398630 -0.332579 0.038266 2.345525 0.195723 1.429179 0.000200 75 C 7.633468 11.942481 13.080088 0.582424 22.873103 0.27007948E+03 0.57135839E+04 7.534957 5.900932 -0.200598 1.986759 0.998980 22.945389 65.389549 0.598836 0.483483 -1.011484 -0.021102 0.015738 -0.024727 0.036116 -0.018626 -0.026232 0.069010 -0.051316 0.175458 -0.061331 -0.048075 0.109406 8.673760 11.458020 -1.348484 2.516259 7.743978 -2.452926 6.819283 -0.003734 76 C 0.913107 10.221619 11.583638 -0.522276 28.715447 0.49272416E+03 0.11967309E+05 8.006819 7.233553 0.072736 1.978237 0.997319 33.009169 96.853450 0.633261 0.398227 -1.074791 0.020894 0.024078 0.062050 0.069760 -0.008957 0.011621 0.018369 -0.011269 0.097049 -0.032707 -0.007459 0.040166 8.406408 8.207390 -0.287962 1.319065 6.683499 0.971548 10.328336 0.000505 77 C 3.322099 9.294500 12.847307 0.597092 22.983352 0.26686700E+03 0.56457199E+04 7.658426 5.923241 -0.372365 1.938727 0.998111 22.907530 65.926935 0.587255 0.493009 -1.003538 0.015742 -0.027335 -0.014224 0.034602 0.016317 0.086935 0.021081 0.078527 0.067463 -0.063344 -0.053063 0.116407 8.924176 9.408387 -2.964917 -3.850502 9.340764 1.494592 8.023377 -0.001730 78 C 4.010994 10.093430 15.542502 -0.526077 27.903889 0.45667186E+03 0.10890497E+05 7.805155 6.908762 0.140854 2.004567 0.997832 32.501504 94.709062 0.655292 0.391947 -1.078323 -0.055884 0.014527 -0.026037 0.063340 -0.016226 0.027080 -0.008127 0.040778 -0.002231 -0.025847 -0.018346 0.044193 8.275791 9.794417 -0.894227 0.347967 7.087936 -0.306911 7.945018 0.000273 79 C 2.117175 14.369566 1.233582 0.600413 24.333316 0.25992959E+03 0.54505178E+04 7.833166 5.775873 -0.257337 1.968999 0.999269 22.747838 64.698433 0.606895 0.481294 -1.011876 -0.010800 0.003948 0.036819 0.038572 -0.039313 -0.035206 -0.003963 0.129358 -0.157341 -0.068227 -0.040425 0.108651 9.301212 4.864406 1.203937 1.296138 9.455686 0.348141 13.583543 0.000046 80 C 8.280431 15.371100 -0.025337 -0.515503 26.935878 0.44223085E+03 0.10441081E+05 7.608406 6.812601 0.212997 2.022356 0.999040 32.229247 92.845617 0.659176 0.393557 -1.079349 0.042459 -0.044600 -0.034671 0.070668 -0.013677 -0.020125 0.011800 0.008237 -0.000111 -0.018209 -0.013248 0.031457 7.858041 8.556961 -1.640774 -0.178884 7.685304 0.904872 7.331858 0.000346 81 C 0.415904 11.481804 13.734093 -0.153071 41.647748 0.50440219E+03 0.12247067E+05 10.381897 7.485322 0.004664 1.992834 0.998621 29.192705 83.932329 0.605586 0.416558 -1.069347 -0.007012 0.017872 -0.010189 0.021735 0.019303 -0.005957 -0.021108 -0.030604 -0.020530 -0.023218 -0.015198 0.038416 12.506407 15.420571 -4.574395 3.184663 8.774939 1.714168 13.323710 0.015587 82 C 1.260549 10.666290 13.054752 0.138859 33.240174 0.41100082E+03 0.95422241E+04 9.220687 6.947349 -0.059561 1.992293 0.999630 26.624695 76.438785 0.599063 0.440379 -1.047841 -0.006875 -0.014027 -0.063166 0.065068 0.012283 0.013624 0.010899 -0.005859 0.119410 -0.032782 -0.012696 0.045479 10.798147 12.936568 -3.642265 1.673726 7.626155 2.178869 11.831719 0.009434 83 C 2.409848 10.203809 13.640664 -0.156206 42.283665 0.49427715E+03 0.11983502E+05 10.564568 7.453447 -0.126486 1.953797 0.998207 29.306859 85.191822 0.599402 0.421478 -1.062390 0.009485 -0.003619 -0.012471 0.016081 0.013328 -0.004937 -0.020863 -0.016866 -0.040819 -0.024720 -0.007362 0.032082 12.983470 15.191880 -4.937287 -0.063087 9.458829 3.626695 14.299700 0.003809 84 C 2.709368 10.542624 14.912251 0.145215 32.739093 0.41606932E+03 0.96941540E+04 9.141805 6.997439 -0.009021 2.008748 0.999697 26.623490 76.689773 0.595687 0.441310 -1.046790 0.056862 -0.015587 0.032381 0.067266 -0.021751 0.021123 -0.013519 0.030618 -0.039603 -0.024962 -0.019138 0.044100 10.584322 11.617528 -2.917076 0.959153 7.568890 2.438012 12.566547 0.008635 85 C 1.822790 11.370073 15.632764 -0.178149 43.237987 0.52194879E+03 0.12779243E+05 10.619699 7.594130 0.058081 2.007340 0.998706 29.468623 85.021693 0.603767 0.414342 -1.070997 0.007305 0.000321 0.005817 0.009343 0.012382 -0.007986 -0.010256 -0.030117 -0.027636 -0.018047 -0.010171 0.028217 12.840579 12.425592 -3.052669 2.268887 8.702512 2.874953 17.393632 0.003154 86 C 0.684616 11.828794 15.046852 0.146793 31.972865 0.39753526E+03 0.91293392E+04 8.889995 6.765305 0.084012 2.037730 0.999218 26.181808 74.127191 0.617749 0.431748 -1.055774 -0.044718 0.042966 0.031057 0.069357 -0.017156 -0.028120 0.017076 0.001187 -0.021142 -0.030364 -0.011702 0.042066 10.166544 11.292351 -3.216523 2.015504 7.480080 2.043162 11.727202 0.008105 87 C 6.890660 8.210332 13.666000 0.101065 25.470321 0.32327428E+03 0.71068348E+04 7.729411 6.150263 0.092538 2.061878 0.999006 25.698785 73.083503 0.634970 0.438781 -1.043096 -0.018267 -0.041055 0.013161 0.046823 -0.012992 -0.046693 0.003949 0.004895 -0.002957 -0.046632 -0.003896 0.050528 8.640464 8.732011 0.888364 3.709463 9.052182 -1.072179 8.137200 -0.002051 88 C 6.295044 6.085013 13.895614 0.097565 26.435063 0.33171171E+03 0.73334304E+04 7.905709 6.212094 0.150989 2.077117 0.999330 25.859190 73.549399 0.635058 0.436261 -1.045455 0.010723 0.052457 -0.000505 0.053544 -0.000366 -0.042281 0.021514 0.002308 -0.020072 -0.048948 0.002368 0.046580 8.931705 8.357917 0.298988 3.878251 9.371774 -1.751162 9.065423 0.000690 89 C 7.861959 8.040117 14.641464 -0.163983 32.412948 0.43506220E+03 0.10237273E+05 8.868241 6.992887 0.185985 2.043894 0.999446 29.068540 83.795056 0.617561 0.421496 -1.060242 -0.011638 -0.008633 -0.007396 0.016269 0.008693 -0.013073 0.025078 0.019577 -0.003032 -0.035565 0.012949 0.022616 10.069001 9.888859 0.123409 4.805136 9.890645 -2.585121 10.427497 0.003047 90 C 7.246660 5.862712 14.878996 -0.154298 32.345490 0.43086721E+03 0.10138689E+05 8.935469 7.018652 0.052220 2.009516 0.998408 28.987847 84.230194 0.607117 0.428741 -1.053166 -0.006401 0.004037 -0.008442 0.011337 -0.022491 -0.023943 -0.004703 0.007371 0.014373 -0.035317 0.003636 0.031680 10.151776 10.170110 1.354834 4.957462 9.682689 -0.979228 10.602529 0.003914 91 C 8.055363 6.852099 15.304970 0.119791 31.933374 0.36181739E+03 0.80801115E+04 8.791769 6.370803 0.129147 2.072434 0.999187 24.989798 68.773330 0.652001 0.420659 -1.067358 0.006129 0.000991 0.005773 0.008478 -0.003903 -0.009869 0.003335 0.004947 -0.003433 -0.009141 -0.003687 0.012828 10.783027 11.029569 0.312943 6.709428 8.833435 -1.748415 12.486077 -0.002368 92 C 4.407215 13.719732 14.001712 0.101187 27.247439 0.33635373E+03 0.74664964E+04 8.098377 6.262717 0.127425 2.063046 0.999372 26.171413 74.738662 0.630993 0.437281 -1.044207 0.028812 0.035726 -0.008137 0.046613 0.000681 0.036082 -0.030449 0.018975 -0.079101 -0.057887 0.010841 0.047046 9.167411 7.347102 1.098280 -3.301284 10.826433 2.063476 9.328697 0.001797 93 C 5.731947 15.367884 13.251111 0.091835 26.667451 0.31690037E+03 0.69138775E+04 7.857497 6.007419 0.173672 2.073058 0.999755 25.861849 72.640078 0.657389 0.427056 -1.052953 -0.020496 -0.048197 0.014478 0.054339 0.006301 0.007614 -0.032656 0.046068 -0.052332 -0.049764 0.016786 0.032978 8.921281 5.825236 0.497920 -2.385191 11.830098 2.650976 9.108509 0.000771 94 C 3.987032 14.465551 15.110194 -0.161433 34.710223 0.44234040E+03 0.10449447E+05 9.345733 7.086194 0.073515 2.009557 0.999088 29.138973 84.101287 0.609072 0.425697 -1.057854 0.004232 -0.009079 -0.002891 0.010426 -0.014452 0.008108 -0.011917 0.028865 0.020591 -0.025976 0.000572 0.025404 10.954024 7.339152 1.151579 -2.977181 14.869473 3.956104 10.653447 0.002210 95 C 5.415313 16.178498 14.286750 -0.165542 34.218742 0.43011370E+03 0.10075451E+05 9.188558 6.952582 0.168370 2.040138 0.999388 28.898630 82.675781 0.620418 0.421444 -1.062008 -0.006168 -0.006807 0.005644 0.010781 0.002857 0.009048 -0.005785 -0.006580 -0.054227 -0.022304 0.008648 0.013656 10.519713 7.218753 0.463512 -3.490386 12.807091 3.722284 11.533293 0.001747 96 C 4.461129 15.766001 15.260631 0.107050 35.306636 0.38456781E+03 0.86969153E+04 9.339021 6.518678 0.056216 2.036504 0.999193 25.531874 70.096217 0.653637 0.414360 -1.074249 0.002590 0.006566 -0.008854 0.011323 0.002771 -0.002809 -0.006206 -0.004767 -0.014744 -0.008165 -0.001198 0.009363 11.644135 7.236818 -0.268824 -3.834441 14.823317 5.898167 12.872271 0.000693 97 C 7.633468 2.897809 10.673099 0.582417 22.873137 0.27008001E+03 0.57135983E+04 7.534966 5.900939 -0.200601 1.986757 0.998980 22.945409 65.389626 0.598836 0.483483 -1.011484 -0.021100 -0.015736 0.024726 0.036114 0.018625 0.026232 0.069009 -0.051317 0.175458 -0.061331 -0.048074 0.109405 8.673769 11.458028 1.348485 -2.516261 7.743989 -2.452929 6.819289 -0.003728 98 C 0.913107 4.618671 12.169549 -0.522277 28.715418 0.49272350E+03 0.11967288E+05 8.006812 7.233548 0.072738 1.978238 0.997319 33.009125 96.853248 0.633261 0.398227 -1.074791 0.020894 -0.024078 -0.062049 0.069760 0.008957 -0.011622 0.018369 -0.011269 0.097052 -0.032707 -0.007460 0.040167 8.406400 8.207381 0.287964 -1.319067 6.683497 0.971551 10.328323 0.000516 99 C 3.322099 5.545790 10.905880 0.597091 22.983366 0.26686721E+03 0.56457245E+04 7.658426 5.923242 -0.372365 1.938727 0.998111 22.907518 65.926864 0.587255 0.493009 -1.003538 0.015741 0.027334 0.014223 0.034602 -0.016317 -0.086936 0.021081 0.078526 0.067463 -0.063344 -0.053063 0.116407 8.924176 9.408384 2.964916 3.850501 9.340765 1.494593 8.023378 -0.001726 100 C 4.010994 4.746860 8.210685 -0.526078 27.903912 0.45667237E+03 0.10890513E+05 7.805161 6.908767 0.140851 2.004566 0.997832 32.501527 94.709173 0.655292 0.391947 -1.078323 -0.055884 -0.014528 0.026037 0.063340 0.016226 -0.027080 -0.008127 0.040778 -0.002232 -0.025847 -0.018346 0.044193 8.275796 9.794423 0.894229 -0.347967 7.087945 -0.306908 7.945021 0.000274 101 C 2.117175 3.111864 6.684147 0.600410 24.333271 0.25992903E+03 0.54505051E+04 7.833169 5.775875 -0.257344 1.968997 0.999269 22.747830 64.698483 0.606893 0.481296 -1.011875 -0.010801 -0.003948 -0.036818 0.038573 0.039313 0.035208 -0.003963 0.129360 -0.157343 -0.068228 -0.040425 0.108653 9.301213 4.864408 -1.203937 -1.296139 9.455693 0.348143 13.583539 0.000033 102 C 8.280431 2.110330 7.943066 -0.515502 26.935804 0.44222910E+03 0.10441032E+05 7.608393 6.812585 0.212992 2.022356 0.999040 32.229206 92.845538 0.659177 0.393557 -1.079349 0.042459 0.044600 0.034670 0.070668 0.013677 0.020124 0.011801 0.008238 -0.000111 -0.018207 -0.013249 0.031456 7.858029 8.556944 1.640763 0.178877 7.685297 0.904865 7.331845 0.000352 103 C 0.415904 3.358486 10.019094 -0.153067 41.647553 0.50439968E+03 0.12246988E+05 10.381858 7.485299 0.004679 1.992840 0.998621 29.192622 83.931961 0.605587 0.416557 -1.069347 -0.007015 -0.017872 0.010190 0.021736 -0.019302 0.005957 -0.021108 -0.030602 -0.020530 -0.023218 -0.015197 0.038414 12.506355 15.420498 4.574373 -3.184644 8.774911 1.714167 13.323657 0.015600 104 C 1.260549 4.174000 10.698435 0.138858 33.240146 0.41100054E+03 0.95422132E+04 9.220673 6.947341 -0.059557 1.992294 0.999630 26.624677 76.438646 0.599064 0.440378 -1.047842 -0.006874 0.014027 0.063166 0.065069 -0.012283 -0.013624 0.010898 -0.005858 0.119409 -0.032782 -0.012695 0.045478 10.798128 12.936543 3.642258 -1.673724 7.626147 2.178867 11.831694 0.009438 105 C 2.409848 4.636481 10.112523 -0.156205 42.283614 0.49427663E+03 0.11983484E+05 10.564554 7.453440 -0.126484 1.953798 0.998207 29.306838 85.191698 0.599402 0.421478 -1.062390 0.009486 0.003619 0.012472 0.016082 -0.013329 0.004937 -0.020864 -0.016866 -0.040819 -0.024720 -0.007362 0.032082 12.983449 15.191849 4.937277 0.063082 9.458822 3.626692 14.299676 0.003816 106 C 2.709368 4.297666 8.840936 0.145216 32.739133 0.41606995E+03 0.96941707E+04 9.141803 6.997438 -0.009018 2.008749 0.999697 26.623507 76.689784 0.595688 0.441309 -1.046791 0.056863 0.015587 -0.032381 0.067267 0.021751 -0.021123 -0.013517 0.030619 -0.039601 -0.024961 -0.019139 0.044100 10.584319 11.617525 2.917078 -0.959152 7.568894 2.438015 12.566538 0.008643 107 C 1.822790 3.470217 8.120423 -0.178150 43.238010 0.52194916E+03 0.12779255E+05 10.619706 7.594136 0.058078 2.007338 0.998706 29.468638 85.021777 0.603766 0.414343 -1.070996 0.007305 -0.000322 -0.005818 0.009344 -0.012382 0.007987 -0.010255 -0.030115 -0.027638 -0.018047 -0.010170 0.028217 12.840586 12.425602 3.052675 -2.268885 8.702526 2.874961 17.393630 0.003155 108 C 0.684616 3.011496 8.706335 0.146792 31.972871 0.39753544E+03 0.91293429E+04 8.889992 6.765303 0.084015 2.037731 0.999218 26.181809 74.127156 0.617750 0.431748 -1.055774 -0.044719 -0.042966 -0.031057 0.069357 0.017155 0.028120 0.017075 0.001188 -0.021139 -0.030363 -0.011702 0.042065 10.166539 11.292347 3.216525 -2.015500 7.480082 2.043164 11.727190 0.008111 109 C 6.890660 6.629958 10.087187 0.101064 25.470335 0.32327452E+03 0.71068421E+04 7.729417 6.150269 0.092534 2.061877 0.999006 25.698794 73.083562 0.634970 0.438781 -1.043095 -0.018267 0.041055 -0.013161 0.046823 0.012992 0.046693 0.003949 0.004895 -0.002957 -0.046632 -0.003896 0.050528 8.640472 8.732020 -0.888366 -3.709467 9.052190 -1.072177 8.137206 -0.002053 110 C 6.295044 8.755277 9.857573 0.097564 26.435099 0.33171225E+03 0.73334459E+04 7.905717 6.212101 0.150989 2.077117 0.999330 25.859212 73.549498 0.635057 0.436261 -1.045455 0.010723 -0.052457 0.000505 0.053544 0.000366 0.042281 0.021514 0.002308 -0.020073 -0.048948 0.002368 0.046580 8.931716 8.357930 -0.298990 -3.878257 9.371786 -1.751163 9.065431 0.000680 111 C 7.861959 6.800173 9.111723 -0.163982 32.412976 0.43506266E+03 0.10237288E+05 8.868248 6.992892 0.185983 2.043893 0.999446 29.068560 83.795147 0.617561 0.421496 -1.060242 -0.011638 0.008633 0.007396 0.016269 -0.008694 0.013073 0.025078 0.019576 -0.003031 -0.035564 0.012948 0.022616 10.069008 9.888867 -0.123410 -4.805139 9.890656 -2.585121 10.427501 0.003042 112 C 7.246660 8.977578 8.874191 -0.154298 32.345555 0.43086823E+03 0.10138720E+05 8.935481 7.018660 0.052219 2.009515 0.998408 28.987891 84.230366 0.607117 0.428741 -1.053166 -0.006401 -0.004037 0.008442 0.011338 0.022491 0.023943 -0.004703 0.007369 0.014372 -0.035316 0.003637 0.031679 10.151791 10.170128 -1.354839 -4.957472 9.682703 -0.979224 10.602540 0.003906 113 C 8.055363 7.988191 8.448217 0.119792 31.933431 0.36181804E+03 0.80801304E+04 8.791780 6.370808 0.129145 2.072433 0.999187 24.989827 68.773445 0.652000 0.420659 -1.067358 0.006129 -0.000991 -0.005773 0.008478 0.003903 0.009868 0.003335 0.004947 -0.003432 -0.009140 -0.003687 0.012827 10.783042 11.029587 -0.312944 -6.709440 8.833446 -1.748416 12.486092 -0.002373 114 C 4.407215 1.120558 9.751475 0.101187 27.247330 0.33635222E+03 0.74664502E+04 8.098343 6.262694 0.127447 2.063053 0.999372 26.171325 74.738213 0.630996 0.437280 -1.044208 0.028811 -0.035726 0.008138 0.046612 -0.000682 -0.036083 -0.030447 0.018974 -0.079087 -0.057885 0.010840 0.047045 9.167371 7.347070 -1.098278 3.301265 10.826393 2.063464 9.328650 0.001804 115 C 5.731947 -0.527594 10.502076 0.091833 26.667498 0.31690098E+03 0.69138935E+04 7.857504 6.007423 0.173669 2.073057 0.999755 25.861870 72.640132 0.657390 0.427055 -1.052953 -0.020497 0.048196 -0.014478 0.054338 -0.006302 -0.007615 -0.032655 0.046068 -0.052326 -0.049763 0.016786 0.032977 8.921290 5.825244 -0.497921 2.385198 11.830107 2.650975 9.108518 0.000772 116 C 3.987032 0.374739 8.642993 -0.161431 34.710276 0.44234136E+03 0.10449477E+05 9.345748 7.086206 0.073514 2.009556 0.999088 29.138994 84.101410 0.609071 0.425698 -1.057853 0.004233 0.009080 0.002891 0.010427 0.014451 -0.008108 -0.011917 0.028864 0.020590 -0.025975 0.000572 0.025403 10.954041 7.339161 -1.151589 2.977177 14.869516 3.956105 10.653446 0.002216 117 C 5.415313 -1.338208 9.466437 -0.165542 34.218824 0.43011501E+03 0.10075489E+05 9.188568 6.952590 0.168376 2.040139 0.999388 28.898684 82.675953 0.620418 0.421444 -1.062008 -0.006168 0.006807 -0.005645 0.010782 -0.002858 -0.009048 -0.005784 -0.006581 -0.054227 -0.022304 0.008646 0.013657 10.519723 7.218766 -0.463511 3.490398 12.807096 3.722279 11.533307 0.001747 118 C 4.461129 -0.925711 8.492556 0.107051 35.306747 0.38456909E+03 0.86969526E+04 9.339040 6.518689 0.056217 2.036504 0.999193 25.531927 70.096424 0.653636 0.414360 -1.074249 0.002591 -0.006565 0.008853 0.011322 -0.002772 0.002810 -0.006205 -0.004769 -0.014744 -0.008165 -0.001199 0.009363 11.644157 7.236833 0.268820 3.834450 14.823351 5.898172 12.872289 0.000694 119 C 0.924232 4.218379 2.755370 0.582422 22.873132 0.27007987E+03 0.57135948E+04 7.534966 5.900938 -0.200598 1.986758 0.998980 22.945408 65.389631 0.598836 0.483483 -1.011484 0.021102 -0.015737 0.024726 0.036116 -0.018626 -0.026232 0.069010 -0.051316 0.175462 -0.061332 -0.048075 0.109407 8.673769 11.458031 -1.348487 2.516263 7.743987 -2.452930 6.819290 -0.003727 120 C 7.644593 5.939241 4.251820 -0.522275 28.715380 0.49272274E+03 0.11967264E+05 8.006803 7.233539 0.072741 1.978239 0.997319 33.009097 96.853133 0.633262 0.398227 -1.074791 -0.020893 -0.024079 -0.062049 0.069760 -0.008958 0.011622 0.018368 -0.011271 0.097052 -0.032708 -0.007459 0.040166 8.406390 8.207371 -0.287962 1.319060 6.683489 0.971547 10.328309 0.000486 121 C 5.235601 6.866360 2.988151 0.597092 22.983308 0.26686643E+03 0.56457034E+04 7.658411 5.923232 -0.372352 1.938732 0.998111 22.907481 65.926715 0.587256 0.493009 -1.003538 -0.015741 0.027336 0.014223 0.034603 0.016319 0.086937 0.021080 0.078527 0.067462 -0.063344 -0.053064 0.116409 8.924155 9.408363 -2.964903 -3.850488 9.340745 1.494580 8.023357 -0.001747 122 C 4.546706 6.067430 0.292956 -0.526076 27.903856 0.45667130E+03 0.10890477E+05 7.805147 6.908758 0.140861 2.004570 0.997832 32.501438 94.708746 0.655293 0.391947 -1.078324 0.055883 -0.014528 0.026036 0.063339 -0.016227 0.027082 -0.008126 0.040778 -0.002233 -0.025847 -0.018347 0.044194 8.275780 9.794415 -0.894227 0.347971 7.087933 -0.306921 7.944992 0.000274 123 C 6.440525 1.791294 14.601876 0.600405 24.333267 0.25992911E+03 0.54505017E+04 7.833151 5.775866 -0.257315 1.969007 0.999269 22.747733 64.697969 0.606896 0.481294 -1.011877 0.010799 -0.003948 -0.036818 0.038572 -0.039314 -0.035203 -0.003963 0.129361 -0.157339 -0.068226 -0.040425 0.108651 9.301189 4.864394 1.203934 1.296136 9.455668 0.348136 13.583505 0.000028 124 C 0.277269 3.430900 0.025337 -0.515501 26.935786 0.44222874E+03 0.10441022E+05 7.608392 6.812584 0.212988 2.022355 0.999040 32.229186 92.845492 0.659177 0.393557 -1.079349 -0.042458 0.044600 0.034670 0.070668 -0.013678 -0.020125 0.011801 0.008237 -0.000113 -0.018209 -0.013249 0.031458 7.858028 8.556933 -1.640760 -0.178884 7.685298 0.904867 7.331852 0.000357 125 C 8.141796 4.679056 2.101365 -0.153071 41.647740 0.50440218E+03 0.12247067E+05 10.381896 7.485323 0.004662 1.992834 0.998621 29.192706 83.932343 0.605586 0.416558 -1.069347 0.007013 -0.017872 0.010188 0.021735 0.019303 -0.005958 -0.021107 -0.030604 -0.020528 -0.023217 -0.015198 0.038415 12.506403 15.420564 -4.574397 3.184657 8.774943 1.714168 13.323703 0.015587 126 C 7.297151 5.494570 2.780706 0.138858 33.240171 0.41100095E+03 0.95422265E+04 9.220681 6.947346 -0.059556 1.992294 0.999630 26.624699 76.438756 0.599064 0.440379 -1.047841 0.006875 0.014026 0.063166 0.065069 0.012283 0.013625 0.010898 -0.005858 0.119409 -0.032782 -0.012697 0.045478 10.798136 12.936556 -3.642263 1.673721 7.626152 2.178867 11.831699 0.009426 127 C 6.147852 5.957051 2.194794 -0.156209 42.283679 0.49427781E+03 0.11983520E+05 10.564564 7.453449 -0.126481 1.953798 0.998207 29.306879 85.191855 0.599402 0.421478 -1.062390 -0.009486 0.003618 0.012472 0.016082 0.013328 -0.004937 -0.020862 -0.016867 -0.040820 -0.024719 -0.007362 0.032081 12.983458 15.191873 -4.937283 -0.063086 9.458823 3.626686 14.299679 0.003798 128 C 5.848332 5.618236 0.923207 0.145214 32.739109 0.41606987E+03 0.96941677E+04 9.141798 6.997437 -0.009015 2.008750 0.999697 26.623499 76.689748 0.595688 0.441309 -1.046791 -0.056863 0.015586 -0.032380 0.067267 -0.021751 0.021123 -0.013518 0.030618 -0.039600 -0.024961 -0.019138 0.044100 10.584308 11.617521 -2.917077 0.959148 7.568887 2.438004 12.566517 0.008632 129 C 6.734910 4.790787 0.202694 -0.178148 43.237856 0.52194764E+03 0.12779206E+05 10.619675 7.594121 0.058081 2.007340 0.998706 29.468581 85.021509 0.603768 0.414342 -1.070997 -0.007305 -0.000322 -0.005819 0.009345 0.012381 -0.007987 -0.010255 -0.030115 -0.027637 -0.018047 -0.010170 0.028216 12.840538 12.425569 -3.052669 2.268870 8.702497 2.874939 17.393550 0.003156 130 C 7.873084 4.332066 0.788606 0.146790 31.972876 0.39753558E+03 0.91293481E+04 8.889997 6.765308 0.084011 2.037729 0.999218 26.181817 74.127219 0.617749 0.431748 -1.055774 0.044719 -0.042966 -0.031056 0.069357 -0.017154 -0.028120 0.017075 0.001188 -0.021141 -0.030364 -0.011701 0.042064 10.166544 11.292348 -3.216529 2.015492 7.480087 2.043168 11.727197 0.008103 131 C 1.667040 7.950528 2.169458 0.101067 25.470273 0.32327358E+03 0.71068153E+04 7.729401 6.150257 0.092541 2.061879 0.999006 25.698750 73.083372 0.634971 0.438781 -1.043096 0.018267 0.041055 -0.013161 0.046823 -0.012991 -0.046695 0.003950 0.004895 -0.002955 -0.046633 -0.003896 0.050529 8.640451 8.731992 0.888362 3.709452 9.052176 -1.072180 8.137186 -0.002077 132 C 2.262656 10.075847 1.939844 0.097567 26.435005 0.33171086E+03 0.73334054E+04 7.905691 6.212081 0.151002 2.077121 0.999330 25.859148 73.549197 0.635059 0.436260 -1.045456 -0.010722 -0.052457 0.000504 0.053544 -0.000366 -0.042283 0.021513 0.002306 -0.020072 -0.048950 0.002369 0.046581 8.931684 8.357896 0.298995 3.878237 9.371757 -1.751154 9.065397 0.000665 133 C 0.695741 8.120743 1.193994 -0.163983 32.412846 0.43506058E+03 0.10237224E+05 8.868221 6.992873 0.185986 2.043895 0.999446 29.068470 83.794773 0.617562 0.421495 -1.060242 0.011638 0.008632 0.007394 0.016268 0.008693 -0.013074 0.025078 0.019578 -0.003027 -0.035564 0.012947 0.022617 10.068976 9.888830 0.123406 4.805120 9.890626 -2.585118 10.427473 0.003039 134 C 1.311040 10.298148 0.956462 -0.154296 32.345376 0.43086543E+03 0.10138637E+05 8.935453 7.018642 0.052215 2.009516 0.998408 28.987764 84.229920 0.607117 0.428742 -1.053166 0.006402 -0.004036 0.008439 0.011336 -0.022491 -0.023944 -0.004702 0.007373 0.014374 -0.035316 0.003635 0.031681 10.151757 10.170092 1.354835 4.957451 9.682673 -0.979221 10.602507 0.003913 135 C 0.502337 9.308761 0.530488 0.119794 31.933307 0.36181641E+03 0.80800852E+04 8.791766 6.370800 0.129144 2.072433 0.999187 24.989753 68.773218 0.652000 0.420660 -1.067358 -0.006129 -0.000992 -0.005775 0.008479 -0.003904 -0.009871 0.003336 0.004947 -0.003433 -0.009144 -0.003687 0.012831 10.783023 11.029564 0.312943 6.709425 8.833432 -1.748415 12.486073 -0.002370 136 C 4.150485 2.441128 1.833746 0.101188 27.247451 0.33635393E+03 0.74665016E+04 8.098378 6.262718 0.127430 2.063047 0.999372 26.171420 74.738677 0.630994 0.437281 -1.044207 -0.028813 -0.035726 0.008136 0.046612 0.000681 0.036082 -0.030448 0.018976 -0.079101 -0.057887 0.010841 0.047046 9.167412 7.347103 1.098278 -3.301283 10.826435 2.063480 9.328699 0.001791 137 C 2.825753 0.792976 2.584347 0.091835 26.667479 0.31690079E+03 0.69138876E+04 7.857497 6.007420 0.173672 2.073058 0.999755 25.861866 72.640093 0.657390 0.427055 -1.052953 0.020495 0.048198 -0.014478 0.054339 0.006301 0.007614 -0.032656 0.046068 -0.052329 -0.049763 0.016787 0.032977 8.921282 5.825234 0.497918 -2.385188 11.830106 2.650983 9.108507 0.000764 138 C 4.570668 1.695309 0.725264 -0.161431 34.710150 0.44233925E+03 0.10449413E+05 9.345721 7.086185 0.073514 2.009557 0.999088 29.138930 84.101126 0.609072 0.425697 -1.057854 -0.004234 0.009079 0.002890 0.010426 -0.014452 0.008109 -0.011917 0.028866 0.020591 -0.025977 0.000571 0.025406 10.954010 7.339142 1.151574 -2.977175 14.869453 3.956105 10.653435 0.002208 139 C 3.142387 -0.017638 1.548708 -0.165541 34.218702 0.43011303E+03 0.10075429E+05 9.188540 6.952569 0.168373 2.040139 0.999388 28.898623 82.675672 0.620420 0.421443 -1.062009 0.006168 0.006807 -0.005646 0.010782 0.002857 0.009048 -0.005784 -0.006580 -0.054227 -0.022304 0.008648 0.013656 10.519693 7.218737 0.463513 -3.490374 12.807078 3.722279 11.533264 0.001740 140 C 4.096571 0.394859 0.574827 0.107044 35.306688 0.38456848E+03 0.86969337E+04 9.339028 6.518682 0.056216 2.036504 0.999193 25.531900 70.096285 0.653637 0.414359 -1.074249 -0.002592 -0.006565 0.008853 0.011322 0.002771 -0.002808 -0.006207 -0.004767 -0.014745 -0.008166 -0.001197 0.009363 11.644145 7.236822 -0.268826 -3.834444 14.823330 5.898177 12.872282 0.000691 141 C 0.924232 13.263051 5.162359 0.582426 22.873138 0.27007989E+03 0.57135965E+04 7.534971 5.900941 -0.200609 1.986754 0.998980 22.945434 65.389763 0.598835 0.483483 -1.011483 0.021101 0.015737 -0.024726 0.036115 0.018626 0.026231 0.069010 -0.051315 0.175458 -0.061331 -0.048075 0.109406 8.673778 11.458044 1.348489 -2.516268 7.743992 -2.452933 6.819298 -0.003736 142 C 7.644593 11.542189 3.665909 -0.522274 28.715387 0.49272284E+03 0.11967267E+05 8.006804 7.233541 0.072741 1.978239 0.997319 33.009094 96.853115 0.633262 0.398227 -1.074791 -0.020894 0.024079 0.062049 0.069759 0.008957 -0.011622 0.018369 -0.011270 0.097053 -0.032708 -0.007460 0.040167 8.406392 8.207376 0.287962 -1.319064 6.683485 0.971547 10.328316 0.000486 143 C 5.235601 10.615070 4.929578 0.597092 22.983314 0.26686648E+03 0.56457047E+04 7.658410 5.923231 -0.372353 1.938731 0.998111 22.907493 65.926752 0.587256 0.493009 -1.003538 -0.015741 -0.027337 -0.014223 0.034603 -0.016318 -0.086937 0.021080 0.078526 0.067462 -0.063344 -0.053064 0.116408 8.924155 9.408363 2.964902 3.850490 9.340743 1.494581 8.023360 -0.001749 144 C 4.546706 11.414000 7.624773 -0.526076 27.903901 0.45667210E+03 0.10890505E+05 7.805159 6.908765 0.140853 2.004567 0.997832 32.501510 94.709102 0.655292 0.391947 -1.078323 0.055884 0.014527 -0.026036 0.063340 0.016227 -0.027081 -0.008128 0.040778 -0.002231 -0.025847 -0.018346 0.044193 8.275795 9.794427 0.894227 -0.347968 7.087936 -0.306913 7.945022 0.000262 145 C 6.440525 13.048996 9.151311 0.600413 24.333299 0.25992941E+03 0.54505127E+04 7.833159 5.775869 -0.257329 1.969002 0.999269 22.747832 64.698396 0.606895 0.481294 -1.011877 0.010801 0.003948 0.036819 0.038573 0.039313 0.035207 -0.003963 0.129357 -0.157341 -0.068227 -0.040424 0.108651 9.301201 4.864402 -1.203936 -1.296138 9.455678 0.348138 13.583522 0.000042 146 C 0.277269 14.050530 7.892392 -0.515502 26.935868 0.44223063E+03 0.10441077E+05 7.608406 6.812600 0.212994 2.022355 0.999040 32.229243 92.845662 0.659176 0.393558 -1.079349 -0.042459 -0.044600 -0.034671 0.070668 0.013678 0.020125 0.011801 0.008237 -0.000109 -0.018208 -0.013249 0.031457 7.858042 8.556963 1.640772 0.178881 7.685309 0.904872 7.331854 0.000345 147 C 8.141796 12.802374 5.816364 -0.153071 41.647797 0.50440271E+03 0.12247085E+05 10.381911 7.485330 0.004660 1.992833 0.998621 29.192725 83.932449 0.605585 0.416558 -1.069346 0.007013 0.017873 -0.010190 0.021736 -0.019303 0.005957 -0.021107 -0.030603 -0.020529 -0.023218 -0.015197 0.038415 12.506426 15.420603 4.574405 -3.184676 8.774951 1.714164 13.323724 0.015580 148 C 7.297151 11.986860 5.137023 0.138858 33.240171 0.41100088E+03 0.95422240E+04 9.220678 6.947343 -0.059558 1.992294 0.999630 26.624699 76.438742 0.599064 0.440378 -1.047842 0.006874 -0.014026 -0.063166 0.065069 -0.012282 -0.013625 0.010899 -0.005858 0.119410 -0.032782 -0.012697 0.045479 10.798135 12.936559 3.642261 -1.673726 7.626147 2.178864 11.831699 0.009426 149 C 6.147852 11.524379 5.722935 -0.156209 42.283749 0.49427839E+03 0.11983540E+05 10.564582 7.453457 -0.126488 1.953796 0.998207 29.306904 85.191993 0.599401 0.421478 -1.062390 -0.009486 -0.003617 -0.012472 0.016082 -0.013328 0.004937 -0.020863 -0.016867 -0.040819 -0.024719 -0.007363 0.032082 12.983485 15.191903 4.937292 0.063086 9.458838 3.626696 14.299714 0.003792 150 C 5.848332 11.863194 6.994522 0.145212 32.739160 0.41607038E+03 0.96941839E+04 9.141811 6.997443 -0.009020 2.008748 0.999697 26.623531 76.689890 0.595687 0.441309 -1.046790 -0.056863 -0.015586 0.032381 0.067267 0.021752 -0.021123 -0.013518 0.030619 -0.039600 -0.024962 -0.019139 0.044101 10.584328 11.617542 2.917079 -0.959158 7.568893 2.438009 12.566547 0.008630 151 C 6.734910 12.690643 7.715035 -0.178149 43.238005 0.52194903E+03 0.12779250E+05 10.619700 7.594131 0.058082 2.007340 0.998706 29.468635 85.021733 0.603767 0.414342 -1.070997 -0.007305 0.000321 0.005817 0.009344 -0.012381 0.007987 -0.010255 -0.030116 -0.027635 -0.018047 -0.010170 0.028217 12.840579 12.425599 3.052672 -2.268891 8.702513 2.874948 17.393624 0.003150 152 C 7.873084 13.149364 7.129123 0.146789 31.972928 0.39753617E+03 0.91293659E+04 8.890008 6.765313 0.084009 2.037728 0.999218 26.181846 74.127338 0.617749 0.431748 -1.055774 0.044718 0.042967 0.031057 0.069357 0.017156 0.028120 0.017075 0.001187 -0.021140 -0.030364 -0.011702 0.042066 10.166559 11.292372 3.216532 -2.015510 7.480092 2.043163 11.727214 0.008098 153 C 1.667040 9.530902 5.748271 0.101066 25.470339 0.32327453E+03 0.71068427E+04 7.729418 6.150269 0.092537 2.061877 0.999006 25.698804 73.083603 0.634970 0.438781 -1.043095 0.018267 -0.041055 0.013160 0.046823 0.012991 0.046695 0.003950 0.004895 -0.002956 -0.046633 -0.003896 0.050529 8.640472 8.732014 -0.888362 -3.709463 9.052196 -1.072183 8.137205 -0.002083 154 C 2.262656 7.405583 5.977885 0.097567 26.435017 0.33171108E+03 0.73334122E+04 7.905696 6.212086 0.150997 2.077120 0.999330 25.859154 73.549244 0.635059 0.436261 -1.045456 -0.010723 0.052457 -0.000505 0.053544 0.000366 0.042284 0.021513 0.002305 -0.020072 -0.048950 0.002369 0.046581 8.931690 8.357903 -0.298996 -3.878239 9.371767 -1.751154 9.065399 0.000659 155 C 0.695741 9.360687 6.723735 -0.163984 32.412960 0.43506234E+03 0.10237278E+05 8.868245 6.992890 0.185982 2.043892 0.999446 29.068546 83.795089 0.617561 0.421496 -1.060242 0.011638 -0.008632 -0.007395 0.016268 -0.008693 0.013073 0.025078 0.019578 -0.003026 -0.035564 0.012948 0.022617 10.069005 9.888861 -0.123405 -4.805138 9.890652 -2.585125 10.427501 0.003029 156 C 1.311040 7.183282 6.961267 -0.154295 32.345391 0.43086565E+03 0.10138645E+05 8.935458 7.018645 0.052211 2.009515 0.998407 28.987777 84.229986 0.607117 0.428742 -1.053166 0.006402 0.004036 -0.008440 0.011336 0.022491 0.023944 -0.004701 0.007372 0.014375 -0.035316 0.003635 0.031681 10.151762 10.170098 -1.354839 -4.957452 9.682683 -0.979219 10.602506 0.003908 157 C 0.502337 8.172669 7.387241 0.119795 31.933357 0.36181695E+03 0.80801014E+04 8.791776 6.370806 0.129140 2.072432 0.999187 24.989778 68.773329 0.651999 0.420660 -1.067357 -0.006129 0.000992 0.005774 0.008479 0.003904 0.009871 0.003336 0.004947 -0.003432 -0.009143 -0.003687 0.012830 10.783037 11.029581 -0.312944 -6.709436 8.833444 -1.748416 12.486087 -0.002376 158 C 4.150485 15.040302 6.083983 0.101187 27.247462 0.33635408E+03 0.74665039E+04 8.098370 6.262712 0.127433 2.063047 0.999372 26.171438 74.738668 0.630995 0.437280 -1.044208 -0.028812 0.035726 -0.008137 0.046612 -0.000682 -0.036082 -0.030448 0.018974 -0.079097 -0.057887 0.010841 0.047046 9.167403 7.347096 -1.098279 3.301279 10.826427 2.063475 9.328685 0.001790 159 C 2.825753 16.688454 5.333382 0.091835 26.667484 0.31690086E+03 0.69138895E+04 7.857497 6.007420 0.173669 2.073056 0.999755 25.861874 72.640117 0.657390 0.427055 -1.052953 0.020496 -0.048197 0.014478 0.054338 -0.006301 -0.007614 -0.032656 0.046068 -0.052329 -0.049763 0.016786 0.032977 8.921281 5.825237 -0.497918 2.385191 11.830102 2.650978 9.108506 0.000764 160 C 4.570668 15.786121 7.192465 -0.161431 34.710265 0.44234097E+03 0.10449465E+05 9.345740 7.086198 0.073513 2.009556 0.999088 29.139000 84.101392 0.609072 0.425697 -1.057854 -0.004233 -0.009079 -0.002890 0.010426 0.014451 -0.008108 -0.011917 0.028865 0.020593 -0.025976 0.000573 0.025404 10.954033 7.339157 -1.151582 2.977182 14.869493 3.956106 10.653449 0.002205 161 C 3.142387 17.499068 6.369021 -0.165541 34.218737 0.43011362E+03 0.10075448E+05 9.188555 6.952580 0.168371 2.040138 0.999388 28.898629 82.675767 0.620419 0.421444 -1.062008 0.006168 -0.006807 0.005645 0.010782 -0.002858 -0.009048 -0.005785 -0.006580 -0.054227 -0.022304 0.008647 0.013657 10.519709 7.218752 -0.463514 3.490385 12.807094 3.722279 11.533281 0.001740 162 C 4.096571 17.086571 7.342902 0.107043 35.306817 0.38456992E+03 0.86969763E+04 9.339055 6.518698 0.056211 2.036502 0.999193 25.531955 70.096533 0.653635 0.414360 -1.074248 -0.002591 0.006565 -0.008853 0.011322 -0.002771 0.002809 -0.006206 -0.004767 -0.014745 -0.008165 -0.001198 0.009363 11.644179 7.236843 0.268825 3.834456 14.823381 5.898191 12.872313 0.000692 163 N 6.116188 7.251482 13.304952 -0.200902 33.546912 0.47290023E+03 0.11154983E+05 8.629548 6.993997 0.159911 2.078205 0.999702 27.097466 73.648535 0.669413 0.387894 -1.102588 0.078183 -0.014182 0.101999 0.129296 0.008846 -0.049153 0.008628 -0.048706 -0.085197 -0.070652 0.030543 0.040109 9.732379 9.556101 0.827504 3.931389 10.293702 -1.193042 9.347334 0.048964 164 N 5.239024 14.153565 13.069003 -0.223163 36.818799 0.49949845E+03 0.11956176E+05 9.250057 7.209126 -0.020906 2.005771 0.999579 28.044164 77.023199 0.655821 0.390178 -1.099912 -0.012515 0.084055 0.123626 0.150017 0.013608 -0.005755 -0.052811 0.026122 -0.163746 -0.083223 0.026854 0.056369 10.631572 8.173998 0.542511 -3.645761 13.047201 2.496471 10.673516 0.027770 165 N 6.116188 7.588808 10.448235 -0.200901 33.546895 0.47289997E+03 0.11154975E+05 8.629546 6.993994 0.159912 2.078205 0.999702 27.097458 73.648508 0.669413 0.387894 -1.102588 0.078183 0.014182 -0.101999 0.129296 -0.008846 0.049153 0.008628 -0.048706 -0.085197 -0.070652 0.030542 0.040109 9.732375 9.556097 -0.827505 -3.931386 10.293700 -1.193039 9.347329 0.048961 166 N 5.239024 0.686725 10.684184 -0.223154 36.818063 0.49948670E+03 0.11955817E+05 9.249923 7.209031 -0.020842 2.005795 0.999579 28.043813 77.021818 0.655828 0.390177 -1.099914 -0.012521 -0.084054 -0.123617 0.150010 -0.013613 0.005747 -0.052809 0.026123 -0.163723 -0.083216 0.026850 0.056366 10.631406 8.173880 -0.542528 3.645689 13.047010 2.496401 10.673328 0.027774 167 N 2.441512 8.909378 2.530506 -0.200904 33.547026 0.47290244E+03 0.11155042E+05 8.629549 6.994000 0.159914 2.078205 0.999702 27.097529 73.648611 0.669415 0.387892 -1.102589 -0.078185 0.014182 -0.102000 0.129298 0.008847 -0.049150 0.008627 -0.048707 -0.085196 -0.070650 0.030539 0.040110 9.732376 9.556092 0.827507 3.931380 10.293709 -1.193042 9.347329 0.048939 168 N 3.318676 2.007295 2.766455 -0.223162 36.818876 0.49949963E+03 0.11956213E+05 9.250071 7.209136 -0.020914 2.005768 0.999579 28.044200 77.023343 0.655821 0.390178 -1.099912 0.012513 -0.084055 -0.123627 0.150019 0.013609 -0.005756 -0.052812 0.026121 -0.163747 -0.083224 0.026853 0.056371 10.631589 8.174009 0.542506 -3.645767 13.047223 2.496484 10.673535 0.027764 169 N 2.441512 8.572052 5.387223 -0.200903 33.547020 0.47290233E+03 0.11155039E+05 8.629548 6.993999 0.159914 2.078205 0.999702 27.097527 73.648608 0.669415 0.387892 -1.102589 -0.078185 -0.014182 0.101999 0.129298 -0.008847 0.049150 0.008627 -0.048707 -0.085197 -0.070649 0.030539 0.040110 9.732375 9.556091 -0.827508 -3.931379 10.293709 -1.193039 9.347325 0.048936 170 N 3.318676 15.474135 5.151274 -0.223163 36.818776 0.49949812E+03 0.11956165E+05 9.250050 7.209121 -0.020894 2.005774 0.999579 28.044161 77.023155 0.655822 0.390177 -1.099913 0.012516 0.084055 0.123623 0.150015 -0.013609 0.005753 -0.052811 0.026123 -0.163739 -0.083221 0.026853 0.056368 10.631563 8.173992 -0.542508 3.645757 13.047192 2.496469 10.673504 0.027762 171 O 6.603977 11.334528 13.230525 -0.522754 33.094562 0.53277801E+03 0.12754384E+05 8.107281 7.152840 0.594762 2.255913 0.994912 26.933582 70.211002 0.710479 0.360116 -1.140279 0.006519 -0.010113 -0.006256 0.013561 0.031373 -0.034525 0.057953 -0.009031 0.011818 -0.083066 0.021738 0.061328 8.655653 11.865976 1.916124 -0.224783 8.286355 -0.982332 5.814627 0.006101 172 O 7.750709 13.029604 12.356408 -0.526006 29.731273 0.49707051E+03 0.11727078E+05 7.572038 6.866356 0.545386 2.217204 0.998052 27.618305 72.115188 0.729908 0.355685 -1.140682 -0.006959 -0.018863 -0.005850 0.020939 -0.025582 0.014354 -0.037284 -0.064806 0.052557 -0.050081 -0.015576 0.065657 8.060128 7.034773 -1.696935 1.540341 9.242439 -3.049989 7.903173 0.110619 173 O 4.038379 9.771608 11.925683 -0.570638 34.776747 0.56584030E+03 0.13747587E+05 8.380908 7.335821 0.745571 2.277275 0.997161 28.106168 73.746039 0.706868 0.356644 -1.143353 -0.005081 -0.008201 0.002862 0.010063 0.055123 0.002208 -0.011484 0.147972 0.177086 -0.122518 0.059134 0.063384 9.221574 10.681665 0.279227 -4.485027 7.022921 -0.589428 9.960137 0.011133 174 O 3.386282 8.060679 13.176685 -0.518074 31.004125 0.51885884E+03 0.12351101E+05 7.764230 7.008350 0.613276 2.246068 0.998949 27.235963 71.021406 0.724830 0.354988 -1.143275 0.011750 0.015042 -0.021548 0.028786 -0.020402 0.012290 0.010388 -0.080459 -0.060053 -0.043929 -0.011901 0.055830 8.244340 7.472582 -2.166710 -1.409197 10.801768 0.852477 6.458671 0.064588 175 O 2.077810 13.409290 2.076029 -0.509305 38.876832 0.56826659E+03 0.13836173E+05 9.187436 7.393426 0.314234 2.165128 0.994654 27.114347 71.470412 0.697383 0.360720 -1.138885 -0.016327 0.019046 0.000017 0.025086 -0.017485 -0.009236 -0.028059 -0.031757 0.097692 -0.045579 -0.003049 0.048629 10.702876 5.666393 0.956311 -0.228094 10.315144 -3.014240 16.127091 0.057054 176 O 2.410704 15.522341 1.593047 -0.571139 34.917062 0.52135807E+03 0.12407958E+05 8.397762 7.009799 0.790089 2.297092 0.997410 27.693431 71.873994 0.728175 0.353432 -1.146150 -0.024873 -0.001861 -0.017743 0.030610 0.017114 -0.038109 0.029017 -0.008285 -0.235149 -0.097627 0.040820 0.056808 9.321740 5.850401 2.857296 0.539172 13.804326 1.239436 8.310493 0.020663 177 O 6.603977 3.505762 10.522662 -0.522752 33.094518 0.53277717E+03 0.12754360E+05 8.107276 7.152837 0.594755 2.255910 0.994912 26.933556 70.210942 0.710478 0.360116 -1.140279 0.006518 0.010114 0.006256 0.013562 -0.031374 0.034524 0.057953 -0.009027 0.011815 -0.083066 0.021740 0.061327 8.655646 11.865963 -1.916124 0.224782 8.286353 -0.982331 5.814623 0.006109 178 O 7.750709 1.810686 11.396779 -0.525991 29.731041 0.49706554E+03 0.11726935E+05 7.572019 6.866339 0.545389 2.217208 0.998052 27.618084 72.114617 0.729906 0.355687 -1.140680 -0.006957 0.018863 0.005850 0.020939 0.025583 -0.014358 -0.037283 -0.064790 0.052548 -0.050073 -0.015580 0.065653 8.060106 7.034749 1.696926 -1.540331 9.242421 -3.049980 7.903149 0.110657 179 O 4.038379 5.068682 11.827504 -0.570635 34.776313 0.56583144E+03 0.13747314E+05 8.380825 7.335754 0.745594 2.277285 0.997161 28.106017 73.745400 0.706873 0.356643 -1.143354 -0.005081 0.008198 -0.002862 0.010061 -0.055123 -0.002208 -0.011485 0.147967 0.177082 -0.122516 0.059132 0.063383 9.221478 10.681546 -0.279230 4.484970 7.022852 -0.589426 9.960037 0.011143 180 O 3.386282 6.779611 10.576502 -0.518075 31.004205 0.51886056E+03 0.12351152E+05 7.764244 7.008363 0.613273 2.246066 0.998949 27.235999 71.021536 0.724829 0.354988 -1.143275 0.011750 -0.015043 0.021549 0.028787 0.020403 -0.012291 0.010389 -0.080459 -0.060053 -0.043930 -0.011900 0.055830 8.244356 7.472597 2.166717 1.409201 10.801789 0.852486 6.458683 0.064588 181 O 2.077810 4.072140 5.841700 -0.509306 38.876836 0.56826667E+03 0.13836176E+05 9.187437 7.393426 0.314216 2.165123 0.994653 27.114341 71.470403 0.697383 0.360720 -1.138885 -0.016330 -0.019045 -0.000019 0.025087 0.017487 0.009238 -0.028063 -0.031754 0.097691 -0.045582 -0.003049 0.048632 10.702875 5.666394 -0.956312 0.228093 10.315153 -3.014237 16.127079 0.057056 182 O 2.410704 1.959089 6.324682 -0.571142 34.917185 0.52136030E+03 0.12408028E+05 8.397794 7.009823 0.790072 2.297088 0.997410 27.693430 71.874094 0.728172 0.353433 -1.146149 -0.024876 0.001859 0.017743 0.030611 -0.017114 0.038111 0.029021 -0.008283 -0.235151 -0.097631 0.040823 0.056808 9.321777 5.850422 -2.857310 -0.539175 13.804387 1.239440 8.310523 0.020670 183 O 1.953723 4.826332 2.604933 -0.522753 33.094433 0.53277536E+03 0.12754303E+05 8.107256 7.152819 0.594765 2.255915 0.994912 26.933530 70.210794 0.710480 0.360115 -1.140279 -0.006520 0.010112 0.006257 0.013561 0.031373 -0.034524 0.057953 -0.009031 0.011820 -0.083065 0.021738 0.061328 8.655624 11.865934 1.916119 -0.224782 8.286330 -0.982328 5.814609 0.006092 184 O 0.806991 3.131256 3.479050 -0.526005 29.731317 0.49707146E+03 0.11727105E+05 7.572041 6.866359 0.545392 2.217205 0.998052 27.618343 72.115292 0.729909 0.355685 -1.140682 0.006962 0.018863 0.005853 0.020941 -0.025584 0.014352 -0.037284 -0.064813 0.052567 -0.050086 -0.015573 0.065659 8.060132 7.034776 -1.696937 1.540342 9.242443 -3.049990 7.903176 0.110609 185 O 4.519321 6.389252 3.909775 -0.570647 34.776902 0.56584349E+03 0.13747682E+05 8.380923 7.335834 0.745584 2.277278 0.997161 28.106277 73.746322 0.706869 0.356643 -1.143354 0.005078 0.008195 -0.002858 0.010055 0.055132 0.002214 -0.011487 0.147989 0.177108 -0.122534 0.059145 0.063389 9.221591 10.681686 0.279229 -4.485035 7.022932 -0.589429 9.960153 0.011081 186 O 5.171418 8.100181 2.658773 -0.518067 31.003779 0.51885155E+03 0.12350883E+05 7.764179 7.008308 0.613254 2.246066 0.998949 27.235763 71.020737 0.724831 0.354989 -1.143275 -0.011747 -0.015043 0.021544 0.028783 -0.020401 0.012290 0.010385 -0.080458 -0.060052 -0.043927 -0.011901 0.055828 8.244281 7.472521 -2.166684 -1.409176 10.801698 0.852459 6.458623 0.064557 187 O 6.479890 2.751570 13.759429 -0.509294 38.875826 0.56824956E+03 0.13835647E+05 9.187264 7.393304 0.314265 2.165144 0.994654 27.113992 71.469056 0.697391 0.360719 -1.138886 0.016323 -0.019050 -0.000020 0.025087 -0.017483 -0.009234 -0.028056 -0.031749 0.097691 -0.045574 -0.003051 0.048625 10.702658 5.666298 0.956286 -0.228085 10.314953 -3.014184 16.126723 0.057081 188 O 6.146996 0.638519 14.242411 -0.571133 34.916324 0.52134481E+03 0.12407559E+05 8.397634 7.009702 0.790122 2.297108 0.997410 27.693135 71.872877 0.728181 0.353432 -1.146151 0.024872 0.001862 0.017741 0.030607 0.017112 -0.038105 0.029017 -0.008282 -0.235151 -0.097625 0.040819 0.056806 9.321590 5.850320 2.857241 0.539165 13.804091 1.239423 8.310360 0.020679 189 O 1.953723 12.655098 5.312796 -0.522753 33.094687 0.53278045E+03 0.12754457E+05 8.107298 7.152853 0.594768 2.255913 0.994912 26.933646 70.211206 0.710478 0.360115 -1.140279 -0.006520 -0.010112 -0.006258 0.013562 -0.031373 0.034524 0.057953 -0.009030 0.011815 -0.083066 0.021738 0.061327 8.655672 11.866004 -1.916129 0.224783 8.286373 -0.982336 5.814638 0.006084 190 O 0.806991 14.350174 4.438679 -0.526009 29.731471 0.49707462E+03 0.11727199E+05 7.572067 6.866380 0.545385 2.217200 0.998052 27.618429 72.115590 0.729908 0.355685 -1.140682 0.006960 -0.018863 -0.005851 0.020941 0.025583 -0.014354 -0.037285 -0.064805 0.052557 -0.050081 -0.015577 0.065658 8.060161 7.034803 1.696945 -1.540351 9.242476 -3.050005 7.903206 0.110592 191 O 4.519321 11.092178 4.007954 -0.570649 34.776988 0.56584513E+03 0.13747732E+05 8.380936 7.335844 0.745587 2.277278 0.997161 28.106320 73.746470 0.706869 0.356643 -1.143354 0.005078 -0.008196 0.002857 0.010056 -0.055131 -0.002213 -0.011487 0.147988 0.177109 -0.122533 0.059145 0.063388 9.221608 10.681706 -0.279228 4.485047 7.022942 -0.589429 9.960176 0.011078 192 O 5.171418 9.381249 5.258956 -0.518068 31.003905 0.51885424E+03 0.12350964E+05 7.764201 7.008327 0.613252 2.246064 0.998949 27.235822 71.020955 0.724830 0.354989 -1.143274 -0.011747 0.015043 -0.021546 0.028784 0.020401 -0.012289 0.010386 -0.080458 -0.060052 -0.043926 -0.011902 0.055828 8.244306 7.472545 2.166692 1.409183 10.801730 0.852465 6.458642 0.064551 193 O 6.479890 12.088720 9.993758 -0.509303 38.876830 0.56826640E+03 0.13836170E+05 9.187443 7.393431 0.314207 2.165120 0.994653 27.114321 71.470384 0.697382 0.360721 -1.138884 0.016329 0.019044 0.000019 0.025086 0.017487 0.009238 -0.028062 -0.031755 0.097691 -0.045582 -0.003049 0.048631 10.702885 5.666398 -0.956313 0.228094 10.315159 -3.014244 16.127098 0.057065 194 O 6.146996 14.201771 9.510776 -0.571140 34.917138 0.52135943E+03 0.12408002E+05 8.397785 7.009817 0.790075 2.297089 0.997410 27.693420 71.874045 0.728172 0.353433 -1.146149 0.024874 -0.001858 -0.017742 0.030610 -0.017114 0.038111 0.029021 -0.008282 -0.235156 -0.097632 0.040823 0.056808 9.321766 5.850416 -2.857307 -0.539174 13.804366 1.239435 8.310515 0.020669 ****************************************************** Auxiliary information for the entire system The total spin magnetic moment of the unit cell is 5.408664 The total net atomic charge of the unit cell is -0.000004 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= 38972 The rms potential error without charges in kcal/mol is= 3.38366 The rms potential error with partial charges in kcal/mol is= 0.85856 The RRMSE value at monopole order= 0.25374 The rms potential error with partial charges and cloud penetration in kcal/mol is= 0.87386 The RRMSE value at monopole order with cloud penetration is= 0.25826 The rms potential error with partial charges and atomic dipoles in kcal/mol is= 0.32923 The RRMSE value at dipole order= 0.09730 The rms potential error with partial charges, atomic dipoles and cloud penetration in kcal/mol is= 0.33507 The RRMSE value at dipole order with cloud penetration= 0.09902 ****************************************************** 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.