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11.038812 18.195885 -0.163539 C 12.946893 12.019407 19.218676 0.560330 C 22.807838 6.462077 20.621186 0.083549 C 21.573086 6.972290 20.982532 -0.148472 C 20.943383 25.544777 22.121688 -0.091234 C 21.501014 24.562287 22.905624 -0.023867 C 22.768009 24.116563 22.617773 -0.103705 C 23.450820 24.524352 21.454118 -0.146537 C 20.725265 24.019832 24.093777 0.518375 C 21.537041 11.088121 12.965563 -0.024767 C 22.832487 11.628680 13.045182 0.182529 C 4.684861 11.916978 11.918274 -0.161396 C 5.809604 12.434777 12.420483 -0.163104 C 5.695804 12.448056 13.841366 0.191711 C 6.647948 12.956372 14.729419 -0.033629 C 6.503800 13.026551 16.131929 0.180909 C 7.344039 13.716951 17.026106 -0.163205 C 6.921076 13.495038 18.275503 -0.176387 C 5.735639 12.632040 18.159138 0.186426 C 24.000861 12.169246 19.267672 -0.040056 C 22.849564 11.448500 19.169680 0.187771 C 22.062434 10.942082 20.259841 -0.163412 C 20.979418 10.354105 19.769881 -0.160055 C 21.047698 10.462215 18.324499 0.196619 C 20.053826 10.063907 17.460945 -0.026782 C 20.017788 10.255473 16.095182 0.182258 C 19.029606 9.851475 15.182632 -0.147481 C 19.422222 10.122702 13.957732 -0.153766 C 20.706288 10.704989 14.074097 0.191175 C 21.026828 10.832065 11.575302 0.071665 C 20.323151 11.788001 10.932230 -0.158652 C 19.894496 11.645747 9.609338 -0.110107 C 20.230211 10.454619 8.972390 -0.005883 C 20.710077 9.460749 9.688956 -0.093153 C 21.157699 9.711115 10.944479 -0.137709 C 19.866043 10.327539 7.386145 0.607152 C 7.950980 13.428650 14.165965 0.077537 C 7.966153 14.530632 13.247290 -0.149772 C 9.142106 14.875831 12.665463 -0.090196 C 10.325648 14.194916 12.965563 -0.002586 C 10.300991 13.199149 13.896487 -0.087680 C 9.130728 12.787566 14.502812 -0.143856 C 11.573675 14.551494 12.169378 0.555608 C 18.887356 9.267294 17.987652 0.065546 C 17.648811 9.919759 18.208134 -0.127543 C 16.575280 9.145906 18.630724 -0.080212 C 16.730809 7.804939 18.814459 -0.011957 C 17.969354 7.175234 18.612351 -0.097041 C 19.008745 7.928224 18.195885 -0.163152 C 15.503645 6.947631 19.218676 0.559640 C 24.609703 12.504963 20.621186 0.084828 C 6.877455 11.994751 20.982532 -0.149993 C 7.507160 12.389266 22.121688 -0.090286 C 25.916531 13.371757 22.905624 -0.024018 C 24.649535 13.817482 22.617773 -0.100981 C 23.966722 13.409690 21.454118 -0.149625 C 7.725283 13.914215 24.093777 0.519255 C 12.620644 16.795281 2.345683 -0.036106 C 12.080085 18.090727 2.266064 0.186005 C 11.791787 18.910102 3.392972 -0.159951 C 11.273988 1.067845 2.890763 -0.160588 C 11.260709 0.954042 1.469880 0.193250 C 10.752393 1.906184 0.581827 -0.044149 C 20.165744 11.245563 29.801809 0.184699 C 19.475344 12.085801 28.907632 -0.164591 C 19.697257 11.662835 27.658235 -0.172668 C 20.560255 10.477398 27.774600 0.185650 C 21.023049 9.775618 26.666066 -0.051188 C 21.743795 8.624321 26.764058 0.190137 C 22.250213 26.804190 25.673897 -0.162877 C 22.838190 25.721174 26.163857 -0.159986 C 22.730080 25.789457 27.609239 0.199610 C 23.128388 24.795587 28.472793 -0.036154 C 22.936822 24.759551 29.838556 0.183509 C 13.857290 14.287841 0.128614 -0.146726 C 13.586063 14.680459 1.353514 -0.152384 C 13.003776 15.964525 1.237149 0.190085 C 12.876700 16.285070 3.735944 0.076981 C 11.920764 15.581395 4.379016 -0.162770 C 12.063018 15.152742 5.701908 -0.105968 C 13.254146 15.488458 6.338856 -0.008736 C 14.248016 15.968323 5.622290 -0.094555 C 13.997650 16.415943 4.366767 -0.141308 C 13.381226 15.124294 7.925101 0.607091 C 10.280115 3.209218 1.145281 0.077846 C 9.178133 3.224392 2.063956 -0.151596 C 8.832934 4.400347 2.645783 -0.092191 C 9.513849 5.583887 2.345683 -0.005384 C 10.509616 5.559229 1.414759 -0.086305 C 10.921199 4.388965 0.808434 -0.144021 C 9.157271 6.831916 3.141868 0.554334 C 23.925001 23.629116 27.946086 0.067813 C 23.272536 22.390571 27.725604 -0.128103 C 24.046389 21.317038 27.303014 -0.083136 C 25.387356 21.472567 27.119279 -0.010407 C 26.017061 22.711113 27.321387 -0.099122 C 25.264071 23.750505 27.737853 -0.163082 C 26.244664 20.245402 26.715062 0.560109 C 20.687332 10.384457 25.312552 0.088500 C 21.197544 11.619209 24.951206 -0.149428 C 20.803029 12.248912 23.812050 -0.094832 C 19.820538 11.691281 23.028114 -0.027450 C 19.374813 10.424286 23.315965 -0.101592 C 19.782605 9.741475 24.479620 -0.151861 C 19.278080 12.467030 21.839961 0.521412 C 15.829860 2.171724 2.345683 -0.036135 C 16.370420 0.876278 2.266064 0.186136 C 16.658719 19.023904 3.392972 -0.159244 C 17.176518 17.899161 2.890763 -0.162080 C 17.189794 18.012961 1.469880 0.192792 C 17.698108 17.060817 0.581827 -0.044619 C 27.251815 26.688495 29.801809 0.186287 C 8.975213 25.848256 28.907632 -0.166485 C 8.753298 26.271219 27.658235 -0.172136 C 26.857299 27.456656 27.774600 0.186496 C 26.394503 9.191434 26.666066 -0.050976 C 25.673757 10.342731 26.764058 0.189632 C 25.167337 11.129861 25.673897 -0.161083 C 24.579361 12.212877 26.163857 -0.160943 C 24.687474 12.144597 27.609239 0.199172 C 24.289168 13.138469 28.472793 -0.036758 C 24.480736 13.174507 29.838556 0.183869 C 14.593210 4.679159 0.128614 -0.149517 C 14.864439 4.286543 1.353514 -0.150997 C 15.446726 3.002477 1.237149 0.191799 C 15.573807 2.681937 3.735944 0.074601 C 16.529745 3.385614 4.379016 -0.160149 C 16.387494 3.814269 5.701908 -0.105964 C 15.196367 3.478554 6.338856 -0.007211 C 14.202495 2.998688 5.622290 -0.095748 C 14.452858 2.551066 4.366767 -0.134870 C 15.069289 3.842722 7.925101 0.608643 C 18.170387 15.757785 1.145281 0.078854 C 19.272371 15.742612 2.063956 -0.151736 C 19.617571 14.566659 2.645783 -0.088283 C 18.936655 13.383117 2.345683 -0.006369 C 17.940887 13.407774 1.414759 -0.085137 C 17.529302 14.578037 0.808434 -0.144714 C 19.293235 12.135090 3.141868 0.549819 C 23.492554 14.304939 27.946086 0.068748 C 24.145018 15.543484 27.725604 -0.132619 C 23.371164 16.617015 27.303014 -0.076291 C 22.030197 16.461486 27.119279 -0.013823 C 21.400493 15.222941 27.321387 -0.097462 C 22.153483 14.183550 27.737853 -0.161181 C 21.172888 17.688650 26.715062 0.560232 C 26.730218 8.582592 25.312552 0.086626 C 26.220005 26.314840 24.951206 -0.149205 C 7.647518 25.685135 23.812050 -0.094676 C 8.630008 7.275764 23.028114 -0.025138 C 9.075732 8.542760 23.315965 -0.103364 C 8.667943 9.225573 24.479620 -0.151799 C 9.172463 25.467012 21.839961 0.522396 C 21.537046 20.571625 17.656929 -0.040541 C 22.832492 21.112185 17.577310 0.187922 C 23.651867 21.400484 18.704218 -0.159687 C 5.809610 21.918283 18.202009 -0.161119 C 5.695807 21.931559 16.781126 0.190821 C 6.647949 22.439873 15.893073 -0.043736 C 6.503798 22.510050 14.490563 0.186485 C 7.344036 4.233448 13.596386 -0.168396 C 6.921070 4.011533 12.346989 -0.174043 C 5.735633 22.115534 12.463354 0.186326 C 5.033853 21.652738 11.354820 -0.052609 C 3.882556 20.931992 11.452812 0.193060 C 22.062425 20.425572 10.362651 -0.161738 C 20.979409 19.837596 10.852611 -0.160475 C 21.047692 19.945709 12.297993 0.201257 C 20.053822 19.547403 13.161547 -0.038000 C 20.017786 19.738971 14.527310 0.182860 C 19.029606 19.334975 15.439860 -0.147384 C 19.422224 19.606204 16.664760 -0.150994 C 20.706290 20.188491 16.548395 0.191652 C 21.026835 20.315572 19.047190 0.076855 C 20.323160 21.271510 19.690262 -0.160990 C 19.894507 21.129259 21.013154 -0.110791 C 20.230223 19.938132 21.650102 -0.006441 C 20.710088 18.944260 20.933536 -0.092574 C 21.157708 19.194623 19.678013 -0.140417 C 19.866059 19.811054 23.236347 0.608662 C 7.950983 22.912152 16.456527 0.076917 C 7.966157 24.014136 17.375202 -0.152142 C 9.142112 24.359336 17.957029 -0.093031 C 10.325652 23.678420 17.656929 -0.005098 C 10.300994 22.682652 16.726005 -0.085399 C 9.130730 22.271067 16.119680 -0.147860 C 11.573681 24.035000 18.453114 0.554574 C 18.887351 18.750789 12.634840 0.071777 C 17.648806 19.403253 12.414358 -0.132493 C 16.575273 18.629399 11.991768 -0.079868 C 16.730802 17.288432 11.808033 -0.013501 C 17.969348 16.658728 12.010141 -0.096377 C 19.008740 17.411718 12.426607 -0.163596 C 15.503637 16.431123 11.403816 0.560328 C 5.642692 21.988453 10.001306 0.086184 C 6.877444 21.478240 9.639960 -0.148863 C 7.507147 2.905753 8.500804 -0.091940 C 6.949516 3.888243 7.716868 -0.025853 C 5.682521 4.333967 8.004719 -0.104767 C 4.999710 3.926178 9.168374 -0.148576 C 7.725265 4.430698 6.528715 0.518291 C 6.913489 17.362409 17.656929 -0.038682 C 5.618043 16.821850 17.577310 0.185307 C 23.765669 16.533552 18.704218 -0.161395 C 22.640926 16.015753 18.202009 -0.162824 C 22.754726 16.002474 16.781126 0.192825 C 21.802582 15.494158 15.893073 -0.045408 C 21.946730 15.423979 14.490563 0.182867 C 21.106491 14.733579 13.596386 -0.163854 C 21.529454 14.955492 12.346989 -0.176513 C 22.714891 15.818490 12.463354 0.187956 C 4.449669 16.281284 11.354820 -0.052203 C 5.600966 17.002030 11.452812 0.190271 C 6.388096 17.508448 10.362651 -0.162948 C 7.471112 18.096425 10.852611 -0.158964 C 7.402832 17.988315 12.297993 0.197802 C 8.396704 18.386623 13.161547 -0.038865 C 8.432742 18.195057 14.527310 0.185147 C 9.420924 18.599055 15.439860 -0.147007 C 9.028308 18.327828 16.664760 -0.152379 C 7.744242 17.745541 16.548395 0.192506 C 7.423702 17.618465 19.047190 0.074778 C 8.127379 16.662529 19.690262 -0.159812 C 8.556034 16.804783 21.013154 -0.111643 C 8.220319 17.995911 21.650102 -0.006661 C 7.740453 18.989781 20.933536 -0.093759 C 7.292831 18.739415 19.678013 -0.137713 C 8.584487 18.122991 23.236347 0.606945 C 20.499550 15.021880 16.456527 0.080306 C 20.484377 13.919898 17.375202 -0.152585 C 19.308424 13.574699 17.957029 -0.092202 C 18.124882 14.255614 17.656929 -0.005289 C 18.149539 15.251381 16.726005 -0.087757 C 19.319802 15.662964 16.119680 -0.144970 C 16.876855 13.899036 18.453114 0.555528 C 9.563174 19.183236 12.634840 0.068609 C 10.801719 18.530771 12.414358 -0.129011 C 11.875250 19.304624 11.991768 -0.081043 C 11.719721 20.645591 11.808033 -0.013226 C 10.481176 21.275296 12.010141 -0.097654 C 9.441785 20.522306 12.426607 -0.163259 C 12.946885 21.502899 11.403816 0.559633 C 3.840827 15.945567 10.001306 0.087516 C 21.573075 16.455779 9.639960 -0.150424 C 20.943370 16.061264 8.500804 -0.091034 C 2.533999 15.078773 7.716868 -0.025964 C 3.800995 14.633048 8.004719 -0.102063 C 4.483808 15.040840 9.168374 -0.151719 C 20.725247 14.536315 6.528715 0.519176 N 6.067543 2.613653 0.048996 -0.323258 N 16.668229 9.735790 29.520082 -0.319570 N 7.636116 18.217805 1.537249 -0.322066 N 6.374811 1.521156 2.676406 -0.316846 N 3.415957 16.353347 0.048996 -0.324282 N 11.782329 9.231268 29.520082 -0.319168 N 1.847387 0.749198 1.537249 -0.323166 N 3.108694 17.445849 2.676406 -0.316239 N 7.355418 8.157722 15.360242 -0.314728 N 4.994025 7.040564 14.208836 -0.308916 N 22.959570 6.589152 16.848495 -0.315114 N 6.262921 7.850459 17.987652 -0.309841 N 21.095112 10.809308 15.360242 -0.314192 N 4.489503 11.926464 14.208836 -0.310433 N 5.490963 12.377881 16.848495 -0.312372 N 22.187614 11.116576 17.987652 -0.305085 N 22.382987 25.836877 30.573496 -0.323304 N 11.782301 18.714740 1.102410 -0.319607 N 20.814414 10.232725 29.085243 -0.322113 N 22.075719 26.929374 27.946086 -0.316836 N 25.034573 12.097183 30.573496 -0.324329 N 16.668201 19.219262 1.102410 -0.319206 N 26.603143 27.701332 29.085243 -0.323214 N 25.341836 11.004681 27.946086 -0.316227 N 21.095112 20.292808 15.262250 -0.325787 N 23.456505 21.409966 16.413656 -0.318959 N 5.490960 21.861378 13.773997 -0.325656 N 22.187609 20.600071 12.634840 -0.320189 N 7.355418 17.641222 15.262250 -0.325651 N 23.961027 16.524066 16.413656 -0.320740 N 22.959567 16.072649 13.773997 -0.323290 N 6.262916 17.333954 12.634840 -0.315696 O 15.898161 14.012841 22.238054 -0.528652 O 14.003358 13.220021 22.280925 -0.510983 O 19.977967 21.658443 26.476207 -0.439970 O 18.786841 20.562152 27.909339 -0.519927 O 2.763496 9.242623 4.311647 -0.495709 O 19.934321 8.070462 3.827812 -0.531847 O 10.120800 16.594238 9.437852 -0.298637 O 8.768453 14.908071 9.058133 -0.447618 O 12.552382 23.921202 22.238054 -0.529495 O 14.447186 24.714023 22.280925 -0.511180 O 8.472585 16.275609 26.476207 -0.437910 O 9.663714 17.371903 27.909339 -0.517786 O 6.720012 9.724385 4.311647 -0.495963 O 8.516187 10.896545 3.827812 -0.532295 O 18.329718 21.339781 9.437852 -0.298041 O 19.682065 4.058947 9.058133 -0.450017 O 9.271076 7.810617 6.926808 -0.530716 O 8.478256 9.705421 6.969679 -0.512861 O 16.916678 3.730820 11.164961 -0.442062 O 15.820387 4.921949 12.598093 -0.522024 O 13.984388 11.461777 19.622893 -0.497815 O 12.812227 13.257952 19.139058 -0.533192 O 21.336003 23.071483 24.749098 -0.300250 O 19.649836 24.423830 24.369379 -0.446220 O 19.179437 11.156396 6.926808 -0.530187 O 19.972258 9.261593 6.969679 -0.511565 O 11.533844 15.236202 11.164961 -0.441733 O 12.630138 14.045076 12.598093 -0.523379 O 14.466150 7.505261 19.622893 -0.498170 O 15.638310 24.676086 19.139058 -0.532645 O 26.081546 14.862565 24.749098 -0.299691 O 8.800712 13.510218 24.369379 -0.446649 O 12.552369 14.437689 8.384438 -0.529013 O 14.447172 15.230509 8.341567 -0.510840 O 8.472563 6.792087 4.146285 -0.440242 O 9.663689 7.888378 2.713153 -0.520074 O 25.687034 19.207907 26.310845 -0.495631 O 8.516209 20.380068 26.794681 -0.531734 O 18.329730 11.856292 21.184640 -0.300580 O 19.682077 13.542459 21.564359 -0.447806 O 15.898148 4.529328 8.384438 -0.529841 O 14.003344 3.736507 8.341567 -0.511060 O 19.977945 12.174921 4.146285 -0.438168 O 18.786816 11.078627 2.713153 -0.517945 O 21.730518 18.726145 26.310845 -0.495827 O 19.934343 17.553985 26.794681 -0.532128 O 10.120812 7.110749 21.184640 -0.299858 O 8.768465 24.391583 21.564359 -0.450189 O 19.179454 20.639913 23.695684 -0.530052 O 19.972274 18.745109 23.652813 -0.511391 O 11.533852 24.719710 19.457531 -0.441696 O 12.630143 23.528581 18.024399 -0.520941 O 14.466142 16.988753 10.999599 -0.495469 O 15.638303 15.192578 11.483434 -0.532528 O 7.114527 5.379047 5.873394 -0.298428 O 8.800694 4.026700 6.253113 -0.445526 O 9.271093 17.294134 23.695684 -0.529253 O 8.478272 19.188937 23.652813 -0.509795 O 16.916686 13.214328 19.457531 -0.441290 O 15.820392 14.405454 18.024399 -0.522260 O 13.984380 20.945269 10.999599 -0.495662 O 12.812220 3.774444 11.483434 -0.531948 O 2.368984 13.587965 5.873394 -0.298018 O 19.649818 14.940312 6.253113 -0.445939 O 4.741751 18.967001 0.667570 -0.586203 O 23.708766 9.483516 15.978816 -0.523903 O 23.708779 9.483529 29.954922 -0.586217 O 4.741764 18.967014 14.643676 -0.586225 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 14.749897 13.834170 20.109178 0.980920 133.342386 0.33918812E+04 0.12169152E+06 20.077004 18.110843 0.867077 1.994322 0.999199 75.835825 200.126468 0.470780 0.362634 -1.206485 -0.003640 0.012260 -0.004469 0.013547 -0.057528 0.017949 -0.031788 -0.148797 -0.260894 -0.093583 -0.049547 0.143130 22.848225 29.463579 4.991464 -2.234802 13.987316 -0.641785 25.093780 0.012906 2 Cd 13.700642 24.099869 20.109178 0.980592 133.251034 0.33888109E+04 0.12154931E+06 20.063832 18.099002 0.875701 1.996756 0.999245 75.829711 200.059571 0.471094 0.362488 -1.206651 0.002452 -0.012940 -0.005002 0.014088 -0.058047 -0.018199 0.031793 -0.148397 -0.258338 -0.092864 -0.050060 0.142924 22.833054 29.442914 4.987977 2.233680 13.978664 0.641297 25.077583 0.012838 3 Cd 9.092405 8.958877 4.797932 0.981155 133.181473 0.33868005E+04 0.12145973E+06 20.057934 18.094696 0.868801 1.995084 0.999193 75.807362 199.989181 0.471107 0.362530 -1.206610 0.012603 0.003339 -0.003119 0.013406 0.057625 -0.031488 -0.018314 0.148689 -0.261985 -0.094002 -0.049264 0.143266 22.824696 13.973785 -4.985963 -0.637995 29.436590 2.228025 25.063712 0.012978 4 Cd 19.358104 10.008132 4.797932 0.980057 133.285907 0.33901051E+04 0.12160780E+06 20.067271 18.102406 0.874266 1.996235 0.999197 75.843757 200.109053 0.471050 0.362486 -1.206648 -0.013795 -0.003509 -0.003280 0.014607 0.057214 0.030763 0.018570 0.149238 -0.261844 -0.093961 -0.049064 0.143026 22.836699 13.981468 -4.990621 0.637118 29.454516 -2.228756 25.074113 0.012788 5 Cd 13.700633 14.616360 10.513314 0.980567 133.414081 0.33942793E+04 0.12180033E+06 20.085003 18.118066 0.866349 1.994023 0.999198 75.851204 200.192521 0.470650 0.362666 -1.206445 0.003167 -0.011990 0.004627 0.013237 -0.057623 0.017710 -0.031835 -0.148838 -0.259424 -0.093043 -0.049922 0.142965 22.856504 29.473956 4.991611 -2.229434 13.991303 -0.638416 25.104253 0.012834 6 Cd 14.749888 4.350661 10.513314 0.980223 133.322929 0.33911936E+04 0.12165736E+06 20.071825 18.106155 0.874973 1.996455 0.999245 75.845160 200.125417 0.470966 0.362519 -1.206613 -0.001989 0.012704 0.005150 0.013851 -0.058151 -0.017961 0.031847 -0.148505 -0.256935 -0.092345 -0.050458 0.142803 22.841484 29.453616 4.988277 2.228412 13.982701 0.637991 25.088136 0.012935 7 Cd 19.358125 19.491653 25.824560 0.980762 133.249027 0.33888962E+04 0.12155438E+06 20.065036 18.100600 0.868549 1.994885 0.999195 75.823894 200.052578 0.471015 0.362543 -1.206593 -0.012609 -0.003385 0.003478 0.013510 0.057777 -0.031667 -0.018315 0.148807 -0.262617 -0.094226 -0.049328 0.143553 22.833534 13.978563 -4.987362 -0.639240 29.443334 2.228225 25.078706 0.013160 8 Cd 9.092426 18.442398 25.824560 0.979651 133.349486 0.33920875E+04 0.12169728E+06 20.073874 18.107923 0.874072 1.996052 0.999199 75.859975 200.170072 0.470967 0.362495 -1.206635 0.013847 0.003567 0.003665 0.014761 0.057374 0.030889 0.018556 0.149431 -0.262540 -0.094189 -0.049150 0.143339 22.844945 13.986053 -4.991990 0.638214 29.460997 -2.228814 25.087785 0.013130 9 Fe 6.361153 0.698745 0.756988 0.770064 120.498102 0.27934275E+04 0.98224826E+05 19.416416 17.050454 0.522987 1.938886 0.998435 56.951102 163.257254 0.446330 0.390271 -1.151350 -0.047585 -0.027227 -0.008244 0.055440 0.113707 0.018544 0.005242 0.179124 -0.300721 -0.102840 -0.093238 0.196078 21.688992 23.691705 -1.775564 -1.096297 18.859798 0.654969 22.515473 3.032583 10 Fe 3.122348 18.268256 0.756988 0.770757 120.476771 0.27927436E+04 0.98205688E+05 19.429407 17.061053 0.516446 1.936986 0.998498 56.964894 163.360216 0.445645 0.390852 -1.150794 0.048084 0.026422 -0.008587 0.055533 0.113844 -0.019186 -0.005183 0.180418 -0.302831 -0.103734 -0.093270 0.197004 21.704221 23.705690 -1.776846 1.097402 18.873471 -0.657127 22.533501 3.030660 11 Fe 5.440510 7.864113 16.068234 0.713713 123.280961 0.28899212E+04 0.10244838E+06 19.667709 17.311765 0.527489 1.934612 0.998344 57.926193 166.539332 0.444282 0.388891 -1.152773 -0.019329 0.035820 -0.007762 0.041436 -0.101187 0.005191 -0.018795 -0.166675 -0.269310 -0.092816 -0.084538 0.177355 21.939125 19.108086 1.875016 0.667854 23.862233 1.121313 22.847058 -3.117765 12 Fe 23.010021 11.102918 16.068234 0.711035 123.452482 0.28955892E+04 0.10269190E+06 19.675696 17.320618 0.540101 1.937700 0.998351 57.978894 166.684513 0.444514 0.388527 -1.153129 0.019168 -0.035279 -0.008440 0.041027 -0.100461 -0.004979 0.018168 -0.167955 -0.268271 -0.092361 -0.084583 0.176944 21.946861 19.112856 1.872370 -0.668532 23.872687 -1.128584 22.855041 2.673238 13 Fe 22.089377 27.751785 29.865504 0.770099 120.496077 0.27933341E+04 0.98220753E+05 19.416269 17.050212 0.522971 1.938888 0.998435 56.950159 163.254092 0.446332 0.390273 -1.151348 0.047583 0.027221 0.008242 0.055435 0.113701 0.018555 0.005259 0.179115 -0.300666 -0.102819 -0.093245 0.196064 21.688922 23.691850 -1.775588 -1.096197 18.859783 0.655028 22.515133 3.032699 14 Fe 25.328182 10.182274 29.865504 0.770789 120.474771 0.27926514E+04 0.98201673E+05 19.429267 17.060819 0.516430 1.936989 0.998498 56.963959 163.357105 0.445646 0.390854 -1.150792 -0.048083 -0.026416 0.008585 0.055529 0.113835 -0.019197 -0.005201 0.180409 -0.302769 -0.103711 -0.093276 0.196987 21.704155 23.705851 -1.776876 1.097319 18.873472 -0.657192 22.533143 3.030771 15 Fe 23.010020 20.586417 14.554258 0.771877 120.397818 0.27900267E+04 0.98084031E+05 19.418401 17.050498 0.515847 1.936830 0.998487 56.940165 163.255342 0.445881 0.390748 -1.150896 0.027601 -0.049293 0.007625 0.057006 -0.112108 0.005186 -0.019949 -0.178042 -0.298525 -0.102629 -0.091670 0.194299 21.690951 18.870254 1.782750 0.652689 23.677946 1.091341 22.524654 3.032714 16 Fe 5.440509 17.347612 14.554258 0.769683 120.538387 0.27945999E+04 0.98278413E+05 19.424627 17.057431 0.528070 1.939863 0.998492 56.983779 163.372354 0.446096 0.390426 -1.151211 -0.027532 0.048983 0.008321 0.056803 -0.111367 -0.004947 0.019393 -0.179220 -0.297474 -0.102200 -0.091637 0.193836 21.696960 18.874149 1.780780 -0.652926 23.685904 -1.098153 22.530828 3.031326 17 H 16.514593 9.750960 26.310845 0.148503 1.057753 0.77092947E+01 0.74718539E+02 1.702994 1.619863 -0.887708 2.477960 0.999338 3.240467 8.908850 0.495130 1.276361 -0.711942 -0.005790 0.002164 -0.042162 0.042612 -0.006056 0.003638 0.001575 -0.013667 0.057488 -0.019122 -0.000452 0.019574 1.728530 1.474405 -0.047495 0.113718 1.475907 -0.236664 2.235278 0.000034 18 H 17.480014 26.637281 27.223395 0.143783 0.967185 0.68920476E+01 0.64968516E+02 1.599772 1.526274 -0.841296 2.494474 0.999655 3.202941 8.691300 0.512629 1.267500 -0.713007 0.008817 -0.029040 -0.029616 0.042405 -0.005432 -0.001452 0.010688 -0.016929 0.033418 -0.015750 -0.003284 0.019034 1.621931 1.528295 -0.278698 -0.137197 1.793615 0.289334 1.543884 0.000015 19 H 9.510055 15.617429 1.476004 0.138953 1.079657 0.80353384E+01 0.78995659E+02 1.750005 1.671359 -0.918355 2.458211 0.998860 3.373021 9.458873 0.477903 1.303667 -0.705438 0.023497 -0.032402 -0.004006 0.040225 -0.016375 -0.003403 -0.001877 -0.013388 -0.004476 -0.017860 -0.000582 0.018442 1.779549 1.843444 -0.375065 -0.155694 1.881951 0.232233 1.613250 -0.000029 20 H 9.087093 16.400769 3.760442 0.137070 0.961991 0.68857041E+01 0.65808534E+02 1.670648 1.583185 -1.092574 2.370109 0.997556 3.529030 10.093416 0.469490 1.365043 -0.690184 0.015043 -0.021910 0.030187 0.040219 -0.008518 0.006688 -0.006033 -0.016379 0.023406 -0.016387 0.000132 0.016256 1.714479 1.622543 -0.129622 0.204508 1.438969 -0.242181 2.081923 0.000029 21 H 6.274289 20.393324 5.867269 0.133911 1.133455 0.83327342E+01 0.83042745E+02 1.830313 1.716862 -1.132798 2.351645 0.996521 3.559048 10.198688 0.463316 1.326522 -0.699202 -0.002302 -0.004585 0.037462 0.037811 -0.004219 -0.006172 -0.004764 -0.004751 0.042974 -0.014113 -0.002364 0.016477 1.913695 1.469367 -0.087461 0.083406 1.568439 -0.172990 2.703279 -0.000052 22 H 5.196963 3.419755 4.960844 0.136656 1.035699 0.75787092E+01 0.74427573E+02 1.775224 1.676466 -1.300710 2.275993 0.993791 3.685367 10.797326 0.448479 1.390674 -0.684782 -0.016062 0.027137 0.025926 0.040823 -0.015006 -0.009936 0.006285 -0.007760 0.015520 -0.018881 -0.002012 0.020893 1.833486 1.679017 -0.289292 -0.211341 1.918074 0.373354 1.903368 0.000069 23 H 4.701919 5.506120 0.104116 0.137848 1.130344 0.81312104E+01 0.79103863E+02 1.717831 1.614500 -0.855770 2.484461 0.999553 3.191690 8.520645 0.523735 1.202132 -0.729637 -0.018355 0.037944 0.000552 0.042154 -0.014840 -0.000639 -0.004230 -0.018858 -0.012285 -0.016112 -0.003999 0.020111 1.757204 1.596987 -0.385232 -0.117225 2.113589 0.281110 1.561036 0.000067 24 H 14.703246 14.253728 28.466669 0.148532 1.124528 0.80745603E+01 0.78151367E+02 1.695219 1.597974 -0.876280 2.484734 0.999358 3.088496 8.133897 0.533625 1.185910 -0.734594 -0.009765 0.027160 -0.030538 0.042019 -0.010494 0.002207 -0.010086 -0.021643 0.023315 -0.019090 -0.000742 0.019832 1.708256 1.403996 -0.104835 0.086740 1.581180 -0.351969 2.139590 0.000058 25 H 17.330174 13.081566 26.708938 0.101655 1.125643 0.82085393E+01 0.80911669E+02 1.772669 1.662465 -0.893798 2.441824 0.998361 3.528362 9.820812 0.492142 1.262613 -0.713020 0.031275 0.011541 0.015679 0.036840 0.013518 0.006611 -0.005576 0.020451 0.005031 -0.020650 0.003664 0.016986 1.821855 2.333362 0.127523 0.419451 1.407563 -0.014775 1.724638 -0.000002 26 H 17.068427 13.790930 24.479620 0.129393 1.188419 0.86229068E+01 0.85458747E+02 1.801418 1.680067 -0.939302 2.442649 0.998573 3.324509 9.072266 0.503469 1.227526 -0.723021 0.029132 0.026194 -0.019529 0.043774 0.015316 -0.000572 -0.005457 0.013861 -0.004448 -0.017254 -0.000917 0.018171 1.863257 2.050929 0.369033 -0.371084 1.651210 -0.334898 1.887632 0.000024 27 H 13.322445 12.451860 24.644982 0.124429 1.117041 0.78703362E+01 0.75642352E+02 1.671325 1.559631 -0.880431 2.464081 0.998995 3.198328 8.376980 0.549861 1.158995 -0.739272 -0.036118 0.006450 -0.012951 0.038908 0.002519 0.002085 -0.007192 0.029468 -0.010187 -0.017180 0.000416 0.016763 1.729628 2.270350 0.038279 0.363945 1.276560 -0.081026 1.641974 0.000112 28 H 13.747308 11.585070 26.702813 0.090341 1.087376 0.78348107E+01 0.76684892E+02 1.744371 1.629941 -1.123487 2.316934 0.997027 3.757270 10.578705 0.492128 1.271588 -0.708496 -0.022692 -0.014465 0.011202 0.029149 0.003706 0.005220 -0.009240 0.018624 0.009225 -0.016775 0.005369 0.011406 1.802858 2.158562 0.426787 -0.382984 1.546679 -0.293753 1.703332 -0.000027 29 H 19.750365 26.022752 28.362552 0.103902 1.059415 0.79535395E+01 0.79462751E+02 1.822263 1.727968 -1.437023 2.182297 0.992198 4.094494 12.303541 0.435473 1.407804 -0.679203 0.018438 0.026640 -0.013483 0.035092 0.000253 -0.011633 0.001692 -0.016321 -0.002237 -0.016479 0.006982 0.009497 1.866687 1.960757 0.397802 -0.207231 2.144739 -0.124465 1.494566 0.000095 30 H 20.336444 24.031216 27.358134 0.114503 0.997815 0.71572268E+01 0.69741930E+02 1.768473 1.652153 -1.369000 2.230665 0.992025 3.919730 11.684732 0.439511 1.430168 -0.675598 0.026211 0.001088 -0.028438 0.038690 0.001699 -0.012615 -0.001659 -0.002788 -0.017708 -0.015332 0.003600 0.011733 1.862874 2.116451 -0.042686 -0.584752 1.565873 0.119829 1.906297 -0.000308 31 H 17.516053 22.077617 29.446588 0.122812 1.188692 0.87614549E+01 0.86485124E+02 1.747118 1.651281 -0.901842 2.454452 0.998815 3.259869 8.649491 0.531672 1.167070 -0.738079 -0.016907 -0.035145 0.012690 0.041012 0.007869 -0.012150 -0.004546 -0.006610 -0.012702 -0.015143 -0.001518 0.016660 1.769361 1.627551 0.295338 -0.226660 2.206771 -0.121515 1.473761 0.000285 32 H 16.823759 24.057773 30.451006 0.111803 1.042104 0.74905960E+01 0.73001611E+02 1.743906 1.631743 -1.271027 2.270941 0.993862 3.754246 10.789254 0.471489 1.332964 -0.695355 -0.026105 -0.004591 0.025182 0.036561 0.002056 -0.013786 0.001260 -0.013010 -0.018328 -0.018819 0.008656 0.010163 1.822392 2.123213 -0.012138 -0.616420 1.449147 0.059465 1.894815 0.000011 33 H 6.113067 6.152898 2.768273 0.122745 1.117450 0.82074160E+01 0.81620277E+02 1.824399 1.710039 -1.064704 2.379418 0.996658 3.608432 10.385525 0.460975 1.336094 -0.696785 0.039318 0.010701 0.000700 0.040755 0.003748 -0.006417 0.003449 0.002454 -0.042918 -0.016815 0.005233 0.011582 1.854627 2.511904 0.012907 -0.100551 1.617955 0.072813 1.434023 -0.000091 34 H 4.810035 7.977524 3.478715 0.132468 1.107891 0.76408011E+01 0.74270873E+02 1.773886 1.616328 -1.160703 2.335930 0.996227 3.515226 9.842384 0.491445 1.282187 -0.707482 0.020623 0.032665 0.010648 0.040071 0.003357 -0.000644 0.000169 0.001264 -0.024940 -0.008355 0.000773 0.007582 1.902143 1.620907 0.352363 0.051222 2.709957 0.262079 1.375565 0.000096 35 H 1.502190 5.635099 3.454217 0.120591 1.113637 0.81542836E+01 0.79830526E+02 1.725802 1.632994 -0.997578 2.407536 0.998044 3.383013 9.227269 0.510162 1.226351 -0.721951 -0.039151 -0.004613 0.007615 0.040151 0.007999 -0.005223 0.003578 0.014191 -0.037863 -0.015567 -0.001815 0.017382 1.745524 2.227446 0.092985 -0.130958 1.636214 0.062555 1.372914 0.000071 36 H 2.769185 3.859787 2.731526 0.097572 1.040339 0.75188637E+01 0.73787135E+02 1.776864 1.660085 -1.274430 2.252236 0.994533 3.985135 11.719845 0.454086 1.374484 -0.685919 -0.014968 -0.027327 -0.005841 0.031701 -0.002714 -0.005200 0.008342 -0.009039 -0.030960 -0.014435 0.000288 0.014147 1.858519 1.768149 0.463108 0.094203 2.336722 0.181458 1.470686 0.000053 37 H 6.611901 16.414047 5.107832 0.106935 1.017683 0.74177828E+01 0.72347691E+02 1.734359 1.637943 -1.296202 2.254884 0.993491 3.846186 11.174372 0.463021 1.356296 -0.690125 -0.022700 -0.020374 -0.017602 0.035217 0.010591 0.007082 -0.006322 -0.009762 0.004386 -0.017137 0.005837 0.011300 1.780567 1.909399 0.287664 0.431322 1.526430 0.202754 1.905873 0.000181 38 H 7.247298 15.378451 7.061547 0.121429 1.152603 0.86223440E+01 0.85659332E+02 1.772821 1.685672 -0.987710 2.410999 0.998096 3.425307 9.433059 0.498890 1.235811 -0.720058 -0.017964 -0.034184 0.007477 0.039334 0.015219 0.005073 -0.002168 -0.008752 -0.018778 -0.015747 -0.003290 0.019037 1.799763 1.633273 0.341794 -0.112370 2.034517 -0.333092 1.731498 0.000209 39 H 9.676971 18.453002 7.906727 0.120736 1.139112 0.84508499E+01 0.83175321E+02 1.736326 1.651627 -0.899993 2.453741 0.998854 3.310166 8.946514 0.514111 1.210472 -0.726927 0.027899 0.021937 0.025308 0.043590 0.012937 0.008723 0.003531 -0.009914 -0.004997 -0.015337 -0.002635 0.017972 1.766795 1.737194 0.176510 0.353948 1.548769 0.164903 2.014421 0.001577 40 H 8.999847 19.575847 5.940763 0.128502 1.058094 0.79000061E+01 0.77187384E+02 1.709005 1.641327 -0.961112 2.432489 0.998240 3.389636 9.416785 0.490223 1.278774 -0.710212 0.017025 0.036255 -0.005203 0.040390 0.012193 0.008781 -0.005513 -0.007441 -0.001725 -0.018447 0.005345 0.013102 1.714657 1.523477 0.202218 -0.078674 2.031394 -0.194770 1.589100 0.000021 41 H 11.935959 9.216091 26.310845 0.148585 1.060536 0.77362948E+01 0.75065246E+02 1.707862 1.624187 -0.891274 2.476369 0.999282 3.245554 8.935456 0.493662 1.278705 -0.711431 0.005487 -0.002235 -0.042120 0.042535 -0.006223 -0.003968 -0.001870 -0.013138 0.057696 -0.019164 -0.000571 0.019735 1.733573 1.478112 -0.047823 -0.114328 1.479678 0.237885 2.242930 0.000034 42 H 10.970539 11.296772 27.223395 0.144307 0.965891 0.68876177E+01 0.64981423E+02 1.605796 1.531736 -0.865287 2.486213 0.999494 3.205197 8.729618 0.508225 1.277410 -0.710907 -0.009020 0.028912 -0.029609 0.042355 -0.004912 0.001387 -0.010414 -0.016977 0.033288 -0.015443 -0.003234 0.018677 1.628153 1.533924 -0.280548 0.138059 1.800911 -0.291085 1.549624 0.000015 43 H 18.940448 3.349574 1.476004 0.139463 1.074800 0.79909485E+01 0.78449523E+02 1.744894 1.666899 -0.919979 2.458327 0.998838 3.364843 9.428948 0.478479 1.303922 -0.705412 -0.023037 0.032660 -0.003918 0.040159 -0.016449 0.003457 0.001855 -0.013376 -0.004286 -0.017964 -0.000515 0.018479 1.774197 1.837729 -0.372828 0.154774 1.875839 -0.230956 1.609025 -0.000028 44 H 19.363414 2.566239 3.760442 0.136828 0.962127 0.68863520E+01 0.65817398E+02 1.670984 1.583381 -1.085494 2.373246 0.997694 3.529491 10.095502 0.469399 1.365252 -0.690146 -0.015034 0.022026 0.030498 0.040513 -0.008558 -0.006925 0.005750 -0.016640 0.023061 -0.016570 0.000420 0.016150 1.714874 1.622829 -0.129740 -0.204746 1.439195 0.242467 2.082598 0.000030 45 H 3.209222 17.540687 5.867269 0.133216 1.133318 0.83293929E+01 0.82974225E+02 1.827619 1.714559 -1.126923 2.353569 0.996519 3.557107 10.180179 0.464573 1.323496 -0.699828 0.002223 0.004389 0.037946 0.038264 -0.004067 0.006208 0.004872 -0.004184 0.043133 -0.013937 -0.002652 0.016589 1.910702 1.467552 -0.087243 -0.083199 1.566378 0.172604 2.698176 -0.000052 46 H 4.286547 15.547255 4.960844 0.137085 1.037211 0.75921688E+01 0.74590031E+02 1.776505 1.677562 -1.305965 2.273471 0.993701 3.687249 10.803706 0.448506 1.390025 -0.684887 0.016290 -0.026649 0.025850 0.040543 -0.014973 0.009918 -0.006383 -0.008002 0.014947 -0.018786 -0.002151 0.020937 1.834871 1.680266 -0.289640 0.211663 1.919505 -0.373809 1.904842 0.000068 47 H 4.781581 13.460880 0.104116 0.139184 1.129034 0.81213627E+01 0.78997865E+02 1.717842 1.614557 -0.855167 2.484981 0.999524 3.189221 8.518342 0.523131 1.203675 -0.729276 0.018535 -0.037596 0.000676 0.041922 -0.014369 0.000488 0.004307 -0.018296 -0.013110 -0.015433 -0.004310 0.019743 1.757196 1.597036 -0.385134 0.117182 2.113454 -0.281059 1.561098 0.000066 48 H 13.747309 23.680327 28.466669 0.148096 1.125334 0.80814902E+01 0.78236480E+02 1.696261 1.598866 -0.880579 2.483449 0.999379 3.089298 8.137377 0.533365 1.186216 -0.734535 0.009696 -0.027053 -0.030522 0.041922 -0.011011 -0.002084 0.010170 -0.022193 0.023561 -0.019715 -0.000481 0.020196 1.709320 1.404684 -0.104955 -0.086855 1.582127 0.352392 2.141148 0.000059 49 H 11.120378 24.852486 26.708938 0.099814 1.130140 0.82465351E+01 0.81367129E+02 1.776233 1.665368 -0.893609 2.441208 0.998398 3.535077 9.839277 0.492208 1.261188 -0.713335 -0.032226 -0.011880 0.015840 0.037823 0.013377 -0.006453 0.005817 0.020427 0.006195 -0.020756 0.004146 0.016610 1.825723 2.339403 0.128131 -0.421196 1.409829 0.014676 1.727938 -0.000001 50 H 11.382121 24.143118 24.479620 0.128259 1.188679 0.86221218E+01 0.85397840E+02 1.796058 1.675522 -0.918335 2.449807 0.998723 3.328673 9.063050 0.506473 1.221005 -0.724419 -0.029674 -0.026607 -0.020306 0.044730 0.015239 0.000266 0.005406 0.013899 -0.004870 -0.017205 -0.000873 0.018079 1.857449 2.044216 0.367118 0.369099 1.646483 0.333146 1.881649 0.000027 51 H 15.128103 25.482189 24.644982 0.123304 1.120898 0.79042775E+01 0.76050052E+02 1.675058 1.562906 -0.882864 2.462767 0.998994 3.204947 8.398715 0.549331 1.158871 -0.739295 0.036859 -0.005687 -0.013388 0.039625 0.002122 -0.002039 0.007212 0.029336 -0.010076 -0.017085 0.000459 0.016626 1.733609 2.276157 0.038365 -0.365249 1.278937 0.081341 1.645734 0.000112 52 H 14.703245 26.348983 26.702813 0.086539 1.094857 0.78989094E+01 0.77466062E+02 1.752097 1.636395 -1.129027 2.313375 0.996986 3.772302 10.629858 0.491271 1.271278 -0.708575 0.023894 0.015044 0.011888 0.030636 0.003632 -0.005592 0.008957 0.018683 0.009775 -0.016656 0.004888 0.011768 1.811232 2.169710 0.430204 0.386209 1.553082 0.296105 1.710904 -0.000028 53 H 27.667191 11.911304 28.362552 0.103802 1.064472 0.80044340E+01 0.80134821E+02 1.830897 1.735577 -1.457408 2.173110 0.992034 4.114098 12.393245 0.433538 1.411199 -0.678490 -0.018628 -0.026775 -0.012928 0.035086 0.000330 0.011796 -0.001446 -0.016215 -0.000809 -0.016580 0.007315 0.009266 1.875787 1.970672 0.401089 0.208873 2.156069 0.125425 1.500619 0.000097 54 H 27.081109 13.902838 27.358134 0.111988 1.007021 0.72349001E+01 0.70648310E+02 1.774469 1.657288 -1.357033 2.233476 0.992116 3.933960 11.717361 0.440597 1.423623 -0.676766 -0.027304 -0.001335 -0.028853 0.039747 0.001580 0.012472 0.001472 -0.002628 -0.016626 -0.014999 0.003468 0.011531 1.869481 2.124612 -0.042960 0.588301 1.570619 -0.120549 1.913213 -0.000311 55 H 10.934504 15.856441 29.446588 0.122195 1.189771 0.87704204E+01 0.86590846E+02 1.747808 1.651818 -0.900711 2.454290 0.998794 3.261389 8.652780 0.531764 1.166636 -0.738190 0.016961 0.035429 0.012820 0.041319 0.007784 0.012014 0.004399 -0.006469 -0.012222 -0.014942 -0.001459 0.016401 1.770116 1.628224 0.295697 0.226862 2.207855 0.121730 1.474270 0.000287 56 H 11.626801 13.876287 30.451006 0.111514 1.040813 0.74764957E+01 0.72793578E+02 1.738988 1.627572 -1.239345 2.283847 0.994297 3.745225 10.740607 0.473476 1.328659 -0.696265 0.026176 0.004541 0.025346 0.036718 0.001849 0.013896 -0.001290 -0.012716 -0.017473 -0.018755 0.008886 0.009870 1.816970 2.116215 -0.012046 0.613273 1.445653 -0.059192 1.889042 0.000012 57 H 3.370439 12.814108 2.768273 0.124527 1.111726 0.81600930E+01 0.81051682E+02 1.820118 1.706664 -1.066917 2.379299 0.996540 3.600246 10.363744 0.460688 1.338542 -0.696301 -0.039112 -0.011315 0.000505 0.040719 0.003483 0.006373 -0.003340 0.002112 -0.042104 -0.016506 0.005354 0.011152 1.850062 2.503863 0.012716 0.099959 1.614875 -0.072599 1.431447 -0.000091 58 H 4.673472 10.989483 3.478715 0.129334 1.119528 0.77330700E+01 0.75384552E+02 1.785223 1.625184 -1.170508 2.330426 0.995982 3.533500 9.903897 0.490559 1.280810 -0.707758 -0.020647 -0.033747 0.010851 0.041023 0.003251 0.000473 -0.000005 0.001437 -0.025308 -0.008454 0.000898 0.007556 1.915412 1.630509 0.357161 -0.051999 2.733140 -0.265277 1.382588 0.000097 59 H 7.981317 13.331908 3.454217 0.120248 1.112166 0.81398894E+01 0.79636883E+02 1.722592 1.630234 -0.982340 2.413443 0.998194 3.380522 9.210799 0.511326 1.224370 -0.722402 0.039384 0.005222 0.007334 0.040400 0.007590 0.005288 -0.003704 0.014251 -0.037606 -0.015544 -0.001540 0.017084 1.742185 2.222455 0.092744 0.130517 1.633299 -0.062360 1.370802 0.000071 60 H 6.714321 15.107218 2.731526 0.096455 1.042702 0.75379180E+01 0.74011066E+02 1.778556 1.661390 -1.273218 2.252144 0.994599 3.988866 11.728630 0.454295 1.373167 -0.686175 0.014591 0.028056 -0.005178 0.032044 -0.002637 0.005058 -0.008976 -0.008195 -0.031750 -0.014947 0.000666 0.014282 1.860454 1.769785 0.464171 -0.094423 2.339758 -0.181853 1.471820 0.000052 61 H 2.871609 2.552963 5.107832 0.106692 1.019114 0.74267534E+01 0.72409360E+02 1.731057 1.635105 -1.273723 2.263358 0.993649 3.840480 11.131828 0.465357 1.349969 -0.691387 0.022323 0.019702 -0.018083 0.034835 0.010819 -0.007067 0.006092 -0.009156 0.003922 -0.017075 0.005764 0.011310 1.777003 1.905413 0.286711 -0.429823 1.523724 -0.202084 1.901873 0.000181 62 H 2.236216 3.588563 7.061547 0.122122 1.153414 0.86315483E+01 0.85794755E+02 1.775573 1.688057 -0.998548 2.406997 0.998035 3.426866 9.447362 0.497757 1.237989 -0.719564 0.017781 0.034067 0.007473 0.039148 0.015162 -0.005036 0.002112 -0.008590 -0.017842 -0.015678 -0.003131 0.018809 1.802647 1.635691 0.342819 0.112728 2.038140 0.334049 1.734110 0.000211 63 H 18.773544 19.481013 7.906727 0.120917 1.138770 0.84487067E+01 0.83157223E+02 1.736883 1.652160 -0.897683 2.454920 0.998870 3.309290 8.947213 0.513631 1.211561 -0.726691 -0.027780 -0.021843 0.025438 0.043542 0.012867 -0.008740 -0.003423 -0.009789 -0.005015 -0.015306 -0.002545 0.017851 1.767372 1.737684 0.176516 -0.353925 1.549315 -0.164860 2.015117 0.001574 64 H 19.450664 18.358165 5.940763 0.129263 1.054758 0.78686711E+01 0.76803824E+02 1.705412 1.638084 -0.908983 2.456612 0.998672 3.383486 9.394547 0.490707 1.278798 -0.710218 -0.016919 -0.036290 -0.004911 0.040340 0.012077 -0.008812 0.005728 -0.007103 -0.001556 -0.018464 0.005562 0.012901 1.711023 1.520516 0.201440 0.078458 2.026576 0.194128 1.585976 0.000020 65 H 5.009195 7.194194 10.999599 0.148229 1.060922 0.77375592E+01 0.75053419E+02 1.705325 1.621950 -0.883323 2.479203 0.999384 3.245828 8.924222 0.495265 1.274977 -0.712209 0.002187 0.005603 -0.042613 0.043035 0.006029 0.001545 -0.004016 0.013184 0.058798 -0.019210 -0.000866 0.020076 1.730958 1.477719 0.047701 -0.237228 1.476307 -0.114073 2.238847 -0.000073 66 H 21.895516 6.228774 11.912149 0.143833 0.966515 0.68881748E+01 0.64943701E+02 1.601488 1.527813 -0.848578 2.491984 0.999607 3.202892 8.701056 0.511218 1.270771 -0.712319 -0.028926 -0.009369 -0.029886 0.042634 0.005374 0.010779 0.001148 0.017360 0.033111 -0.015887 -0.003183 0.019070 1.623700 1.795776 0.279225 0.289898 1.529813 0.137475 1.545510 -0.000077 67 H 20.359194 23.682213 16.787250 0.140862 1.071491 0.79604220E+01 0.78077534E+02 1.741460 1.663809 -0.909571 2.463325 0.998903 3.359362 9.410195 0.478866 1.304074 -0.705370 -0.032819 -0.023614 -0.003539 0.040586 0.016057 -0.001766 0.003442 0.013547 -0.003478 -0.017739 -0.000277 0.018017 1.770624 1.871899 0.371494 0.230265 1.833870 0.154292 1.606104 -0.000098 68 H 21.142534 24.105179 19.071688 0.138002 0.960097 0.68701736E+01 0.65634918E+02 1.669803 1.582466 -1.093550 2.370421 0.997626 3.526159 10.089228 0.469037 1.366886 -0.689827 -0.021989 -0.014704 0.030330 0.040245 0.008539 -0.005893 -0.006778 0.016517 0.022874 -0.016418 0.000256 0.016161 1.713588 1.438357 0.129483 -0.241892 1.621849 -0.204122 2.080558 -0.000078 69 H 25.135089 7.950987 21.178515 0.134481 1.129593 0.82963700E+01 0.82569173E+02 1.824341 1.711717 -1.127266 2.354117 0.996644 3.549997 10.157542 0.464696 1.324364 -0.699663 -0.004071 0.002266 0.037949 0.038234 0.004330 -0.004834 0.006432 0.004422 0.042883 -0.014259 -0.002311 0.016570 1.907079 1.563831 0.087006 -0.172209 1.465272 -0.082939 2.692135 -0.000040 70 H 8.161520 9.028312 20.272090 0.135265 1.039729 0.76131530E+01 0.74822229E+02 1.776878 1.677960 -1.309545 2.271188 0.993629 3.689716 10.800743 0.449376 1.386852 -0.685513 0.027673 0.016740 0.026331 0.041705 0.014835 0.006291 0.010090 0.007719 0.015608 -0.018783 -0.002100 0.020883 1.835241 1.919836 0.289675 0.373764 1.680647 0.211627 1.905241 -0.000008 71 H 10.247885 9.523346 15.415362 0.139226 1.131932 0.81474169E+01 0.79322944E+02 1.721622 1.617814 -0.863759 2.481763 0.999479 3.192249 8.533150 0.522226 1.204671 -0.729050 0.037951 0.018186 0.000510 0.042086 0.014699 -0.004289 0.000591 0.018347 -0.013197 -0.015740 -0.004281 0.020021 1.761199 2.118835 0.386688 0.282089 1.600431 0.117659 1.564330 -0.000091 72 H 9.511963 9.005544 13.155423 0.148145 1.120929 0.80410449E+01 0.77725227E+02 1.689489 1.592990 -0.873903 2.485974 0.999417 3.084489 8.110917 0.535441 1.183436 -0.735175 0.027805 0.009800 -0.030941 0.042738 0.010638 -0.010103 -0.002131 0.021618 0.022834 -0.019119 -0.000731 0.019850 1.702373 1.575867 0.104212 -0.349829 1.399861 -0.086252 2.131391 -0.000116 73 H 8.339801 6.378613 11.397692 0.101627 1.125676 0.82042647E+01 0.80839896E+02 1.771012 1.660663 -0.885277 2.445536 0.998414 3.525192 9.802620 0.493135 1.260533 -0.713483 0.011859 -0.031793 0.015204 0.037183 -0.013387 -0.006037 -0.006758 -0.020581 0.006851 -0.021088 0.004413 0.016675 1.820292 1.406196 -0.127553 -0.014443 2.331841 -0.419582 1.722840 0.000197 74 H 9.049165 6.640356 9.168374 0.131101 1.178963 0.85387370E+01 0.84391184E+02 1.789035 1.669632 -0.921914 2.450460 0.998736 3.312246 9.017211 0.506201 1.224276 -0.723725 0.026541 -0.028792 -0.019738 0.043852 -0.015050 -0.005146 0.000749 -0.013404 -0.005072 -0.016673 -0.001261 0.017934 1.849811 1.640246 -0.364462 -0.330683 2.035444 0.366283 1.873742 0.000169 75 H 7.710095 10.386338 9.333736 0.123371 1.122266 0.79147445E+01 0.76181363E+02 1.677070 1.564426 -0.885858 2.461204 0.998905 3.205721 8.404379 0.548769 1.159590 -0.739128 0.006290 0.037058 -0.013544 0.039953 -0.002341 -0.007324 -0.001987 -0.029801 -0.010294 -0.017373 0.000466 0.016906 1.735916 1.279992 -0.038425 -0.081437 2.280159 -0.366456 1.647597 0.000216 76 H 6.843305 9.961480 11.391567 0.088681 1.091780 0.78744248E+01 0.77175737E+02 1.749540 1.634409 -1.126492 2.314474 0.997044 3.767793 10.618067 0.491259 1.272136 -0.708366 -0.014103 0.023415 0.011527 0.029665 -0.003725 -0.009010 -0.005713 -0.018249 0.008991 -0.016566 0.004840 0.011726 1.808403 1.550941 -0.428744 -0.295127 2.165825 0.384682 1.708443 0.000162 77 H 21.280987 22.925426 13.051306 0.105692 1.053938 0.79060845E+01 0.78918716E+02 1.820898 1.726663 -1.454241 2.176451 0.992135 4.089259 12.306890 0.433913 1.414117 -0.678030 0.025943 -0.018303 -0.012941 0.034285 -0.000324 0.001481 0.011872 0.016413 -0.001435 -0.016723 0.007351 0.009372 1.865259 2.143270 -0.397625 -0.124520 1.959056 0.206935 1.493451 0.000209 78 H 19.289451 22.339344 12.046888 0.114437 0.998406 0.71593280E+01 0.69731667E+02 1.765361 1.649483 -1.355051 2.236247 0.992303 3.912651 11.641494 0.441259 1.425130 -0.676542 0.001787 -0.026184 -0.028791 0.038958 -0.001436 -0.001283 0.012613 0.002021 -0.017006 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19.401353 12.326662 9.168374 0.131580 1.178539 0.85370520E+01 0.84390807E+02 1.790730 1.671171 -0.928125 2.448444 0.998648 3.311024 9.021889 0.505073 1.226775 -0.723181 -0.025956 0.028926 -0.019825 0.043629 -0.015136 0.005311 -0.000497 -0.013452 -0.005151 -0.016882 -0.001110 0.017993 1.851583 1.641691 -0.364895 0.331156 2.037353 -0.366733 1.875704 -0.000018 99 H 20.740424 8.580680 9.333736 0.123466 1.118883 0.78852699E+01 0.75808565E+02 1.671716 1.559965 -0.878158 2.464684 0.998972 3.201871 8.382732 0.550503 1.157297 -0.739673 -0.005871 -0.036969 -0.013505 0.039794 -0.002202 0.007225 0.002018 -0.029851 -0.009923 -0.017312 0.000452 0.016861 1.730085 1.276802 -0.038286 0.081042 2.271080 0.364134 1.642375 0.000083 100 H 21.607218 9.005543 11.391567 0.088984 1.091769 0.78712257E+01 0.77116286E+02 1.747533 1.632499 -1.125888 2.314969 0.997063 3.764136 10.596732 0.492388 1.269681 -0.708894 0.014215 -0.023072 0.011188 0.029318 -0.004090 0.009176 0.005625 -0.018669 0.009900 -0.017025 0.005277 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1.776277 1.618189 -1.175239 2.330238 0.996096 3.516521 9.853880 0.490534 1.284061 -0.707094 -0.033072 0.020512 0.010633 0.040343 -0.003040 -0.000070 -0.000590 -0.001416 -0.024546 -0.008213 0.000989 0.007224 1.904859 2.714785 -0.353591 -0.262768 1.622850 0.051438 1.376942 0.000044 107 H 18.073673 6.243955 18.765463 0.121555 1.110665 0.81250085E+01 0.79453248E+02 1.720845 1.628541 -0.985444 2.412242 0.998137 3.376482 9.196950 0.511698 1.224066 -0.722462 0.004937 -0.038893 0.007229 0.039866 -0.007740 -0.003514 -0.005444 -0.014032 -0.037721 -0.015544 -0.001634 0.017179 1.740466 1.631387 -0.092612 -0.062196 2.220518 -0.130407 1.369494 0.000033 108 H 19.848983 7.510950 18.042772 0.095813 1.044427 0.75506442E+01 0.74128330E+02 1.776597 1.659771 -1.255502 2.259298 0.994639 3.985269 11.697353 0.455997 1.368181 -0.687160 0.028169 -0.014946 -0.005825 0.032417 0.002794 -0.008243 -0.004859 0.008388 -0.031587 -0.014381 0.000484 0.013897 1.858262 2.336236 -0.463195 -0.181382 1.768101 0.094182 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1.042102 0.74905655E+01 0.73001179E+02 1.743900 1.631736 -1.270967 2.270964 0.993862 3.754236 10.789186 0.471492 1.332958 -0.695356 0.026105 0.004590 -0.025181 0.036560 0.002056 -0.013788 0.001259 -0.013011 -0.018322 -0.018820 0.008657 0.010164 1.822387 2.123213 -0.012133 -0.616421 1.449142 0.059458 1.894807 0.000011 129 H 22.337463 22.297632 27.854219 0.122761 1.117362 0.82065846E+01 0.81609724E+02 1.824291 1.709944 -1.064627 2.379465 0.996660 3.608196 10.384610 0.460993 1.336081 -0.696789 -0.039318 -0.010698 -0.000706 0.040754 0.003745 -0.006412 0.003447 0.002454 -0.042890 -0.016803 0.005230 0.011573 1.854514 2.511742 0.012912 -0.100535 1.617858 0.072815 1.433941 -0.000090 130 H 23.640495 20.473006 27.143777 0.132486 1.107788 0.76399170E+01 0.74259675E+02 1.773737 1.616206 -1.160658 2.335966 0.996228 3.514954 9.841252 0.491480 1.282141 -0.707493 -0.020625 -0.032663 -0.010657 0.040073 0.003356 -0.000641 0.000172 0.001265 -0.024916 -0.008347 0.000769 0.007577 1.901967 1.620775 0.352317 0.051222 2.709654 0.262062 1.375473 0.000096 131 H 26.948340 22.815431 27.168275 0.120598 1.113577 0.81536930E+01 0.79822799E+02 1.725696 1.632901 -0.997625 2.407519 0.998044 3.382865 9.226565 0.510196 1.226300 -0.721963 0.039155 0.004611 -0.007608 0.040152 0.007998 -0.005225 0.003577 0.014191 -0.037853 -0.015564 -0.001816 0.017380 1.745415 2.227294 0.092969 -0.130950 1.636108 0.062559 1.372843 0.000073 132 H 25.681345 24.590743 27.890966 0.097570 1.040364 0.75190899E+01 0.73789816E+02 1.776880 1.660100 -1.274481 2.252205 0.994534 3.985196 11.720013 0.454089 1.374467 -0.685922 0.014969 0.027324 0.005853 0.031700 -0.002715 -0.005202 0.008340 -0.009040 -0.030952 -0.014432 0.000287 0.014146 1.858537 1.768173 0.463112 0.094206 2.336740 0.181466 1.470697 0.000054 133 H 21.838629 12.036483 25.514660 0.106968 1.017728 0.74183168E+01 0.72355542E+02 1.734530 1.638093 -1.296784 2.254644 0.993481 3.846600 11.176456 0.462953 1.356447 -0.690093 0.022671 0.020389 0.017641 0.035226 0.010579 0.007103 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1.074785 0.79907896E+01 0.78447540E+02 1.744876 1.666881 -0.919969 2.458336 0.998838 3.364797 9.428781 0.478482 1.303920 -0.705413 0.023038 -0.032661 0.003921 0.040160 -0.016448 0.003458 0.001854 -0.013376 -0.004291 -0.017963 -0.000516 0.018479 1.774178 1.837711 -0.372826 0.154770 1.875822 -0.230945 1.609001 -0.000028 140 H 9.087116 25.884291 26.862050 0.136820 0.961963 0.68848113E+01 0.65798113E+02 1.670719 1.583147 -1.085032 2.373466 0.997698 3.528986 10.093267 0.469464 1.365155 -0.690167 0.015031 -0.022026 -0.030500 0.040513 -0.008556 -0.006913 0.005751 -0.016644 0.023114 -0.016575 0.000426 0.016149 1.714594 1.622577 -0.129706 -0.204691 1.438997 0.242415 2.082208 0.000030 141 H 25.241308 10.909843 24.755223 0.132889 1.135190 0.83466801E+01 0.83188953E+02 1.829445 1.716180 -1.127933 2.352779 0.996502 3.560847 10.193253 0.464420 1.323253 -0.699865 -0.002200 -0.004389 -0.037854 0.038171 -0.004077 0.006197 0.004841 -0.004224 0.043106 -0.013936 -0.002628 0.016565 1.912661 1.468858 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9.149650 6.689455 -0.029651 2.006824 0.999577 26.210314 75.571391 0.604711 0.443700 -1.041809 -0.020614 0.051916 0.002505 0.055915 0.000412 -0.005493 -0.002555 0.005698 -0.022962 -0.009997 0.001262 0.008735 10.763959 7.529190 -4.553918 1.981390 12.586234 -3.616868 12.176455 0.002021 214 C 17.698137 26.544346 30.040665 -0.044086 43.694408 0.48137909E+03 0.11556568E+05 10.754071 7.357168 0.040086 2.011833 0.999257 28.086848 80.393416 0.605061 0.421663 -1.065705 0.007621 -0.026654 -0.012723 0.030503 0.022296 -0.032061 0.011632 0.050918 -0.147046 -0.063585 -0.001043 0.064627 13.439747 8.124574 -4.514159 0.242142 14.211562 0.386034 17.983105 -0.027451 215 C 8.284786 17.204967 0.820683 0.184667 34.593259 0.39630473E+03 0.91496746E+04 9.544798 6.843387 -0.062734 1.991244 0.999643 26.572834 76.953083 0.598667 0.443143 -1.042541 -0.020154 0.039246 0.039057 0.058923 0.001181 -0.000562 0.009148 -0.015553 -0.000247 -0.008318 -0.005535 0.013853 11.942209 7.093437 -2.319089 -0.547329 8.085350 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10.752422 11.389713 30.040665 -0.044561 43.738158 0.48202916E+03 0.11575651E+05 10.758718 7.360762 0.036019 2.010092 0.999279 28.105518 80.449226 0.605105 0.421506 -1.065844 -0.007189 0.026634 -0.012175 0.030154 0.022646 0.032654 -0.010734 0.049534 -0.142004 -0.062319 -0.001634 0.063953 13.445144 8.128045 -4.516072 -0.241829 14.216232 -0.386321 17.991154 -0.027433 263 C 1.198715 1.762035 0.820683 0.186254 34.503185 0.39512506E+03 0.91157362E+04 9.530784 6.834790 -0.065157 1.991250 0.999587 26.529905 76.803100 0.598828 0.443350 -1.042409 0.019011 -0.040098 0.039700 0.059543 0.001155 0.000790 -0.008698 -0.015770 -0.002137 -0.008268 -0.005295 0.013562 11.923095 7.083048 -2.314831 0.546206 8.073522 -1.974606 20.612716 0.003372 264 C 0.508317 2.602274 1.714860 -0.166524 31.240552 0.45174018E+03 0.10775888E+05 8.687498 7.149948 0.054333 1.989470 0.999025 30.193636 88.860666 0.605053 0.424374 -1.053948 -0.002761 -0.000063 0.012906 0.013198 0.011324 0.005287 0.016772 -0.013748 -0.093059 -0.035940 0.002555 0.033386 9.628758 8.088742 -2.811879 0.706291 8.281354 -1.131843 12.516180 0.002239 265 C 19.697232 2.179311 2.964257 -0.172073 33.590704 0.49183977E+03 0.11965268E+05 9.147620 7.482279 0.044682 1.982096 0.998857 30.620500 90.529365 0.589837 0.426850 -1.054111 -0.004697 0.009207 -0.008666 0.013488 0.011816 -0.000098 0.017649 -0.019888 -0.074971 -0.031294 -0.001202 0.032496 10.265360 8.190357 -2.527790 0.217283 8.109979 -0.257492 14.495743 0.003826 266 C 1.593231 0.993874 2.847892 0.186494 34.769760 0.39288911E+03 0.90558504E+04 9.571698 6.815381 -0.088736 1.982866 0.999620 26.589863 77.067813 0.599384 0.443345 -1.041888 0.005867 -0.005761 -0.058847 0.059418 -0.003308 0.007644 -0.001027 -0.001284 -0.017016 -0.010389 0.001451 0.008938 12.233391 8.182104 -3.772190 3.181942 9.950832 -4.223988 18.567237 0.002183 267 C 2.056027 19.259096 3.956426 -0.050754 45.580866 0.46823234E+03 0.11171566E+05 11.049694 7.258705 0.021445 2.008489 0.999275 27.981350 80.034738 0.608367 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0.47467793E+03 0.11459720E+05 9.131976 7.347033 -0.025765 1.962698 0.998924 30.398664 89.889425 0.594942 0.426438 -1.053074 -0.019103 -0.002790 0.002548 0.019473 0.022249 0.014267 -0.007286 0.040516 -0.008958 -0.033867 -0.000630 0.034497 10.387850 7.256038 -3.300297 0.747192 10.568290 -0.306270 13.339222 0.003192 271 C 3.763056 16.305933 3.013253 0.199132 34.173027 0.37198488E+03 0.84663220E+04 9.486379 6.655062 -0.040850 2.009850 0.999705 26.047149 75.271486 0.602735 0.446488 -1.038981 -0.032514 0.044195 -0.003269 0.054964 0.004829 -0.007809 -0.002196 0.017311 -0.025242 -0.011034 -0.005700 0.016734 11.800553 7.679864 -4.605756 -1.614086 13.659780 4.259255 14.062015 0.000571 272 C 4.161362 15.312061 2.149699 -0.036656 44.733846 0.46445015E+03 0.11073370E+05 10.964065 7.260943 -0.067514 1.983992 0.999118 27.856413 79.990140 0.603514 0.425675 -1.061018 0.012031 -0.026298 0.019179 0.034701 0.035226 -0.008366 -0.034939 0.039241 -0.167193 -0.071518 -0.001789 0.073307 14.144913 9.422017 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0.002536 281 C 14.248035 25.451842 25.000202 -0.095776 31.801761 0.37541293E+03 0.85214354E+04 8.701196 6.463962 0.058379 2.000759 0.999681 28.244206 80.196365 0.646521 0.417368 -1.061921 -0.011337 -0.008046 0.028710 0.031899 -0.012013 -0.018826 -0.010276 0.001039 -0.046385 -0.031591 0.009846 0.021746 10.270935 10.298623 0.954806 -0.460347 5.718700 3.799429 14.795482 0.000135 282 C 13.997672 25.899464 26.255725 -0.134881 33.586452 0.40138102E+03 0.93009068E+04 9.116792 6.739170 0.130950 2.019745 0.999401 29.213767 84.890342 0.622946 0.424314 -1.053409 -0.006139 -0.018375 -0.044375 0.048419 0.005282 0.025372 0.006943 -0.002226 -0.058359 -0.034659 0.007133 0.027526 10.805214 11.328414 1.009135 -2.372671 6.035729 3.532152 15.051500 -0.001070 283 C 13.381241 24.607808 22.697391 0.608551 20.051006 0.21280295E+03 0.42390069E+04 6.864973 5.219594 -0.030512 2.065752 0.998899 21.472059 59.264960 0.640461 0.480095 -1.013852 0.000866 -0.007016 -0.048268 0.048783 -0.053867 0.031813 -0.075423 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29.814058 -0.144687 34.332772 0.45388792E+03 0.10799261E+05 9.193397 7.124160 0.132295 2.013545 0.999536 29.748155 86.368954 0.613918 0.419324 -1.061091 -0.009518 0.030993 -0.014067 0.035342 0.001026 0.010762 0.012644 0.015711 0.032291 -0.019252 -0.002513 0.021765 10.661693 9.632419 -0.953819 4.201236 13.692047 -2.876136 8.660611 -0.002576 290 C 9.157295 16.315440 27.480624 0.549752 24.180039 0.25130022E+03 0.51993425E+04 7.693911 5.597923 0.062492 2.075978 0.999633 22.412349 62.297376 0.633080 0.467619 -1.024278 -0.010185 0.039181 -0.020716 0.045476 -0.022354 -0.071753 0.036885 0.118719 -0.023407 -0.078190 -0.038317 0.116507 9.619620 6.444883 -1.120310 3.344487 13.263219 -3.475570 9.150757 -0.002126 291 C 4.957976 14.145591 2.676406 0.068756 37.056333 0.44280175E+03 0.10442690E+05 9.813306 7.116541 -0.286094 1.916213 0.998765 27.189111 77.909500 0.605541 0.428904 -1.057932 -0.009058 0.014643 -0.005386 0.018041 -0.035085 0.009442 -0.013412 -0.032688 0.005924 -0.039707 -0.004386 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8.556023 7.321271 9.609338 -0.109296 32.945702 0.42821096E+03 0.10030045E+05 8.921329 6.900631 0.083494 1.996918 0.999629 29.233859 83.911917 0.627061 0.417014 -1.063726 0.000480 0.015219 0.018809 0.024200 -0.013548 -0.008570 0.017938 -0.003815 -0.031975 -0.021758 -0.006800 0.028558 10.289825 6.201109 -1.514631 -3.389990 10.074240 -0.894154 14.594127 0.001237 328 C 8.220307 8.512398 8.972390 -0.005743 35.558731 0.42458696E+03 0.98266882E+04 9.366536 6.826428 0.095654 2.038664 0.999374 26.778328 73.983052 0.643004 0.411578 -1.077796 0.000923 0.000165 0.040718 0.040729 0.014122 -0.017171 -0.020032 0.025647 -0.067609 -0.035740 -0.004104 0.039845 11.598382 5.956468 -1.449392 -3.853044 10.258803 -0.441133 18.579875 0.002393 329 C 7.740442 9.506270 9.688956 -0.091983 31.680603 0.37373015E+03 0.84730201E+04 8.676971 6.447439 0.064440 2.003406 0.999684 28.176119 79.933408 0.647707 0.417107 -1.062174 0.008345 -0.011559 0.029337 0.032618 0.010781 0.010403 -0.018636 0.000528 -0.046487 -0.031195 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21.026828 10.832065 11.575302 0.071665 34.383573 0.38974801E+03 0.89330159E+04 9.348767 6.693032 -0.377854 1.894853 0.998862 26.654887 76.132720 0.620010 0.431016 -1.053069 0.009829 0.010587 0.024364 0.028325 0.017294 0.009486 -0.000282 0.047196 0.101071 -0.046233 0.009183 0.037050 11.578283 6.912766 -0.819600 4.447418 10.743298 1.869672 17.078786 -0.000780 374 C 20.323151 11.788001 10.932230 -0.158652 34.753803 0.44263098E+03 0.10474045E+05 9.269631 7.020399 0.239738 2.042233 0.999605 29.933098 86.899843 0.619898 0.417554 -1.061348 -0.009854 -0.022328 -0.032488 0.040633 -0.013414 -0.007374 0.024018 -0.045740 -0.062404 -0.030239 -0.016073 0.046312 10.888691 6.767716 -1.890839 4.110750 10.652279 -0.088711 15.246078 -0.002077 375 C 19.894496 11.645747 9.609338 -0.110107 32.975039 0.42867728E+03 0.10043698E+05 8.926114 6.903713 0.088021 1.997984 0.999652 29.249177 83.967209 0.627013 0.416933 -1.063778 -0.001430 -0.016037 0.019023 0.024922 -0.013158 0.008793 -0.017743 -0.003338 -0.029521 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9.151501 6.841772 -0.010049 1.982999 0.999515 28.670675 82.782369 0.616758 0.427099 -1.054299 0.029869 0.012507 0.014874 0.035635 -0.010718 0.007974 0.018714 -0.001913 0.056303 -0.027894 -0.000552 0.028446 11.015206 16.280155 2.389832 -3.298078 11.077980 -1.489201 5.687483 0.000350 390 C 16.730809 7.804939 18.814459 -0.011957 38.047243 0.43300425E+03 0.10065801E+05 9.763127 6.858287 0.026093 2.013323 0.999193 26.923563 74.427682 0.646814 0.407353 -1.081117 0.036122 0.020185 -0.003133 0.041497 0.000675 -0.006830 0.010421 -0.003580 0.018758 -0.011969 -0.003004 0.014973 12.908887 20.793110 3.518399 -4.463272 11.656420 -1.773938 6.277130 0.002395 391 C 17.969354 7.175234 18.612351 -0.097041 33.840324 0.41682828E+03 0.97042625E+04 9.097867 6.815954 0.082134 2.000609 0.999690 28.939064 82.991633 0.629467 0.417953 -1.062430 0.001580 0.023925 -0.003336 0.024208 -0.003197 0.008618 0.002152 -0.037025 0.029835 -0.025907 0.011337 0.014571 11.116353 17.294093 1.464588 -3.674802 10.082394 -1.264799 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0.519255 23.482702 0.27759911E+03 0.58914323E+04 7.587875 5.947666 -0.214789 1.980293 0.998832 23.082955 65.100520 0.603944 0.477866 -1.018177 0.034362 0.038195 0.030999 0.060004 0.045724 -0.035377 -0.040352 -0.055428 0.034401 -0.061732 -0.023716 0.085448 8.893557 8.310793 -0.239068 3.392878 7.041797 2.519567 11.328080 -0.004824 401 C 12.620644 16.795281 2.345683 -0.036106 45.638910 0.49670692E+03 0.12002398E+05 11.074014 7.484598 -0.041860 1.987420 0.999012 28.036590 80.162398 0.599336 0.422930 -1.066322 0.006721 -0.019819 0.030230 0.036768 0.047848 0.004053 -0.029112 0.083594 -0.015373 -0.072795 0.005645 0.067150 13.773633 8.365134 -4.595794 -0.777368 14.016914 -0.005813 18.938851 -0.034983 402 C 12.080085 18.090727 2.266064 0.186005 32.090156 0.38306505E+03 0.87757285E+04 9.047405 6.718610 -0.089909 1.981957 0.999666 26.499645 76.630534 0.605031 0.441894 -1.042501 -0.018305 0.043096 -0.039309 0.061135 -0.003885 -0.000833 -0.006551 0.004171 -0.014530 -0.009892 0.002253 0.007639 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8.670412 7.134936 0.051628 1.989477 0.999046 30.140527 88.656405 0.605872 0.424212 -1.054065 -0.002808 -0.000568 -0.012505 0.012829 0.011393 -0.004963 -0.016541 -0.016895 -0.093736 -0.035890 0.001649 0.034241 9.609808 8.073969 -2.809904 -0.706117 8.269600 1.131199 12.485856 0.002236 409 C 19.697257 11.662835 27.658235 -0.172668 33.633566 0.49262132E+03 0.11989822E+05 9.158193 7.490602 0.039498 1.980286 0.998895 30.644880 90.641729 0.589190 0.427122 -1.053875 -0.004284 0.008833 0.008854 0.013220 0.011692 0.000411 -0.017599 -0.022536 -0.073282 -0.030745 -0.002295 0.033040 10.277886 8.200598 -2.531573 -0.219574 8.119843 0.260059 14.513218 0.003806 410 C 20.560255 10.477398 27.774600 0.185650 34.792178 0.39311934E+03 0.90626141E+04 9.574959 6.816636 -0.090821 1.981870 0.999675 26.602775 77.115046 0.599418 0.443248 -1.041930 0.006158 -0.005389 0.058190 0.058763 -0.002824 -0.007495 0.001284 -0.001962 -0.015609 -0.010041 0.001639 0.008403 12.238633 8.185001 -3.773872 -3.183942 9.954579 4.227109 18.576319 0.002174 411 C 21.023049 9.775618 26.666066 -0.051188 45.624114 0.46867354E+03 0.11185519E+05 11.058699 7.263810 0.023976 2.009390 0.999241 27.996798 80.109746 0.607898 0.422172 -1.064530 -0.009841 0.017936 -0.036597 0.041927 0.053451 0.023762 -0.011872 0.030831 -0.014877 -0.063072 0.002639 0.060433 14.481960 9.725659 -6.080313 -0.586251 14.932794 -0.428041 18.787426 -0.025538 412 C 21.743795 8.624321 26.764058 0.190137 35.139998 0.37627013E+03 0.85647304E+04 9.575949 6.638093 0.079009 2.042003 0.999556 26.023076 74.530514 0.612737 0.439155 -1.046176 0.016858 -0.039135 0.046814 0.063303 0.008206 0.009321 0.001581 -0.005959 0.013198 -0.013760 0.000707 0.013054 11.879195 9.279360 -6.873960 0.034545 15.812136 -0.686443 10.546089 0.003010 413 C 22.250213 26.804190 25.673897 -0.162877 32.591404 0.44944062E+03 0.10699243E+05 8.927585 7.107985 0.079502 1.996437 0.999374 30.111782 88.310537 0.610342 0.421553 -1.056508 -0.005450 -0.011895 0.002607 0.013341 0.025925 -0.013741 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0.999135 27.847397 79.958300 0.603615 0.425684 -1.061006 0.012435 -0.026820 -0.019419 0.035370 0.035159 0.008150 0.034374 0.039829 -0.169108 -0.071625 -0.001820 0.073445 14.140445 9.419715 -5.571228 -0.822707 14.849255 -0.957598 18.152365 -0.027293 417 C 22.936822 24.759551 29.838556 0.183509 34.928123 0.38682133E+03 0.88668780E+04 9.571367 6.747613 -0.050583 1.997901 0.999730 26.280686 75.557588 0.605375 0.441389 -1.044745 -0.026425 0.034833 0.042992 0.061318 -0.001179 -0.008284 0.010542 0.001073 -0.004257 -0.013367 -0.000314 0.013680 11.850065 6.399641 -2.224743 -1.986748 8.671860 1.385621 20.478694 0.003735 418 C 13.857290 14.287841 0.128614 -0.146726 30.328546 0.40338027E+03 0.93081734E+04 8.367191 6.654534 0.247094 2.054497 0.999773 28.907833 82.352016 0.644769 0.411673 -1.067184 -0.006647 -0.004177 0.014871 0.016816 0.001109 0.011797 -0.017138 0.005374 -0.116041 -0.045568 0.020313 0.025255 9.165809 6.232886 -2.874149 -1.123179 9.581303 1.340330 11.683238 0.002317 419 C 13.586063 14.680459 1.353514 -0.152384 29.830633 0.39918231E+03 0.91721103E+04 8.226040 6.587546 0.294224 2.069785 0.999810 28.753318 81.298395 0.653884 0.407669 -1.071560 0.003393 -0.010532 -0.006729 0.012950 0.002841 0.009592 -0.014330 -0.002996 -0.082902 -0.034131 0.014473 0.019658 8.870908 5.763544 -2.252413 -0.853146 8.427793 0.075101 12.421385 0.003482 420 C 13.003776 15.964525 1.237149 0.190085 33.843907 0.37850241E+03 0.86177199E+04 9.330008 6.638217 0.053329 2.030173 0.999536 26.091842 74.438199 0.616193 0.436582 -1.049000 0.002366 0.001176 -0.057040 0.057101 0.009154 -0.000747 0.007689 0.004214 -0.001814 -0.012780 0.001320 0.011460 11.434929 6.878572 -3.374598 -3.146223 10.478173 4.071292 16.948042 0.001448 421 C 12.876700 16.285070 3.735944 0.076981 34.293469 0.38826364E+03 0.88931345E+04 9.343603 6.687456 -0.388416 1.891773 0.998822 26.620218 76.082009 0.619087 0.431943 -1.052193 -0.009245 0.010347 -0.024230 0.027921 -0.017530 -0.000871 -0.008850 -0.049275 0.095882 -0.046379 0.011095 0.035284 11.574639 10.731381 0.819144 1.865132 6.911142 -4.449659 17.081394 -0.000437 422 C 11.920764 15.581395 4.379016 -0.162770 34.967391 0.44583269E+03 0.10570164E+05 9.311292 7.049154 0.233580 2.039033 0.999613 30.042925 87.338699 0.618106 0.417959 -1.060958 0.023260 -0.009430 0.031939 0.040621 0.013475 0.023672 0.006917 0.045104 -0.065608 -0.030817 -0.015329 0.046147 10.942542 10.690761 1.900006 -0.101181 6.800913 -4.142583 15.335953 -0.000973 423 C 12.063018 15.152742 5.701908 -0.105968 32.861314 0.42660356E+03 0.99830543E+04 8.903334 6.883881 0.089425 1.998908 0.999665 29.194210 83.760296 0.628339 0.416556 -1.064013 0.016505 -0.000260 -0.017372 0.023964 0.015139 -0.017711 -0.009450 0.003979 -0.031744 -0.021487 -0.008592 0.030079 10.270896 10.055493 1.518002 0.881417 6.192469 -3.387375 14.564727 0.001046 424 C 13.254146 15.488458 6.338856 -0.008736 35.638145 0.42561804E+03 0.98561668E+04 9.376929 6.832026 0.098864 2.039133 0.999381 26.820024 74.110523 0.643143 0.411254 -1.078047 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0.42382929E+04 6.864672 5.219467 -0.026005 2.067074 0.998868 21.472026 59.265948 0.640418 0.480140 -1.013818 0.001645 -0.006749 0.047728 0.048231 -0.053735 -0.031684 0.075583 -0.102999 -0.142875 -0.084406 -0.050610 0.135016 8.140696 8.237901 1.185959 0.756234 4.639008 -2.085307 11.545178 -0.000088 428 C 10.280115 3.209218 1.145281 0.077846 36.110855 0.44639884E+03 0.10540156E+05 9.636140 7.139211 -0.256964 1.924042 0.998815 27.178344 77.716112 0.605862 0.428163 -1.059261 0.001796 -0.012816 0.000740 0.012962 -0.025739 0.005731 0.022182 -0.043210 0.031001 -0.043097 0.003076 0.040021 11.921413 10.921141 -2.371723 -4.979676 15.135031 3.521072 9.708065 -0.000696 429 C 9.178133 3.224392 2.063956 -0.151596 36.214001 0.48023754E+03 0.11637759E+05 9.666312 7.410005 -0.036374 1.959296 0.998500 30.560575 90.793882 0.589496 0.428758 -1.050742 0.002183 0.023132 0.009572 0.025129 0.011955 0.002706 -0.020459 0.002658 0.036103 -0.026501 0.000903 0.025598 11.690228 12.178666 -1.776777 -5.196203 13.476559 3.462524 9.415458 -0.002681 430 C 8.832934 4.400347 2.645783 -0.092191 34.462222 0.45060985E+03 0.10770690E+05 9.455922 7.257086 -0.182348 1.921040 0.998795 29.825333 88.629204 0.584666 0.438283 -1.042718 0.030011 -0.009295 -0.004294 0.031710 -0.000301 0.009711 -0.011365 0.033333 0.070990 -0.030950 0.001232 0.029718 11.198432 9.917479 -0.569490 -3.935204 14.967536 3.472233 8.710282 0.000367 431 C 9.513849 5.583887 2.345683 -0.005384 37.546405 0.42480074E+03 0.98486076E+04 9.720110 6.837309 0.063080 2.032157 0.999278 26.737349 74.320703 0.640177 0.412683 -1.075353 0.017110 -0.029579 -0.013098 0.036596 0.001216 0.010261 -0.015081 -0.022819 0.010559 -0.020429 -0.002460 0.022889 12.545343 10.057539 -1.880337 -5.131042 16.815563 5.418615 10.762927 -0.001835 432 C 10.509616 5.559229 1.414759 -0.086305 32.538937 0.39653242E+03 0.91156467E+04 8.843224 6.637564 0.069681 2.001106 0.999621 28.518269 81.221934 0.639481 0.416649 -1.063449 -0.007388 -0.029330 -0.005079 0.030670 0.013305 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0.998845 27.207958 77.974634 0.605462 0.428817 -1.057992 -0.008012 0.015585 0.003610 0.017892 -0.035651 -0.008764 0.013874 -0.030123 0.009756 -0.040331 -0.003395 0.043727 12.420576 13.115112 -3.384284 -2.469682 16.725402 4.218084 7.421215 -0.000073 436 C 23.272536 22.390571 27.725604 -0.128103 35.458826 0.44993285E+03 0.10687742E+05 9.456577 7.115452 0.155770 2.031046 0.998559 29.454791 85.603980 0.611054 0.421977 -1.058827 0.012468 -0.024274 -0.030436 0.040878 0.021888 0.004365 0.003005 0.027674 -0.000250 -0.025865 -0.001101 0.026965 11.458151 11.168362 -2.027359 -1.252202 16.892412 3.889433 6.313677 -0.001657 437 C 24.046389 21.317038 27.303014 -0.083136 33.632290 0.41306404E+03 0.96176646E+04 9.179730 6.861014 -0.015456 1.980361 0.999544 28.749326 83.094324 0.615550 0.427357 -1.054029 -0.013243 0.030016 -0.013646 0.035532 0.010984 0.017429 -0.007403 -0.000931 0.061637 -0.027948 -0.000526 0.028473 11.052924 11.111372 -2.403933 -1.495475 16.342141 3.312639 5.705261 0.000404 438 C 25.387356 21.472567 27.119279 -0.010407 38.041620 0.43284651E+03 0.10062040E+05 9.764757 6.858597 0.024580 2.012829 0.999203 26.919367 74.435597 0.646526 0.407538 -1.080905 -0.019993 0.036932 0.004430 0.042229 0.000385 0.009185 0.006169 0.005660 0.013128 -0.010136 -0.003172 0.013307 12.913319 11.657123 -3.519569 -1.774569 20.803995 4.466464 6.278840 0.003021 439 C 26.017061 22.711113 27.321387 -0.099122 33.913778 0.41788301E+03 0.97353681E+04 9.109456 6.823126 0.086202 2.000850 0.999703 28.986737 83.167533 0.629311 0.417776 -1.062499 -0.022887 0.002110 0.004958 0.023513 0.004495 0.001696 -0.009288 0.039571 0.026746 -0.027204 0.011284 0.015920 11.132052 10.096852 -1.467288 -1.267383 17.319593 3.681374 5.979710 0.001062 440 C 25.264071 23.750505 27.737853 -0.163082 35.024185 0.45239164E+03 0.10791199E+05 9.361771 7.139579 0.041324 1.980994 0.999038 30.255729 88.931578 0.607700 0.422534 -1.055495 0.006093 -0.031375 -0.009841 0.033442 0.016513 0.007217 0.001244 -0.031126 0.025106 -0.027922 0.007934 0.019988 11.071774 12.744289 -1.864493 -1.724135 14.308313 2.967935 6.162721 -0.000753 441 C 26.244664 20.245402 26.715062 0.560109 25.122677 0.26803441E+03 0.56244378E+04 7.909664 5.780825 -0.080619 2.023546 0.999283 22.664640 63.032940 0.624306 0.467542 -1.026366 0.038115 -0.037301 -0.015267 0.055472 0.017464 -0.000407 -0.058629 -0.003463 0.272734 -0.075152 -0.037977 0.113129 10.113482 8.934655 -2.732729 -0.776501 15.945582 3.692318 5.460209 -0.001515 442 C 20.687332 10.384457 25.312552 0.088500 35.017526 0.43587402E+03 0.10239380E+05 9.471922 7.079701 -0.330499 1.903823 0.998734 27.020627 77.288809 0.604635 0.431221 -1.056455 -0.000297 -0.001689 0.019596 0.019671 -0.026637 0.011074 -0.019905 -0.013341 0.068077 -0.039041 -0.003193 0.042234 11.817915 7.285747 0.685087 3.169220 9.920853 -4.335961 18.247144 -0.001151 443 C 21.197544 11.619209 24.951206 -0.149428 34.549755 0.45348587E+03 0.10812570E+05 9.293127 7.159218 0.059604 1.990924 0.999371 29.953285 87.724451 0.606097 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31.855659 0.42942349E+03 0.10068627E+05 8.726847 6.919425 0.141603 2.016493 0.999678 29.163622 83.836068 0.624793 0.418105 -1.062708 0.012113 0.001602 0.032636 0.034848 0.013755 0.006819 0.024770 0.024961 -0.022254 -0.033447 0.002327 0.031121 10.074232 6.648537 0.447161 2.526555 9.179458 -3.763814 14.394702 0.002130 447 C 19.782605 9.741475 24.479620 -0.151861 33.134028 0.45405665E+03 0.10781362E+05 8.916903 7.083306 0.279936 2.061443 0.999643 29.579809 85.200028 0.622514 0.414375 -1.066507 -0.016509 0.016860 -0.027585 0.036301 0.015060 -0.003152 -0.000319 -0.023406 -0.045645 -0.016670 -0.010076 0.026747 10.300670 7.194177 0.530586 3.331207 8.754884 -2.814351 14.952950 -0.001931 448 C 19.278080 12.467030 21.839961 0.521412 23.476500 0.27738735E+03 0.58854642E+04 7.583948 5.943102 -0.211964 1.981355 0.998829 23.077449 65.064171 0.604562 0.477497 -1.018435 -0.040532 0.035018 -0.031297 0.062037 -0.047128 -0.039806 0.034569 0.053528 0.039103 -0.062606 -0.022593 0.085199 8.891337 7.039404 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-0.015068 -0.063420 0.003215 0.060206 14.470793 9.718152 -6.074862 0.583962 14.921814 0.431236 18.772414 -0.025539 460 C 25.673757 10.342731 26.764058 0.189632 35.126909 0.37611515E+03 0.85606733E+04 9.575575 6.638108 0.074565 2.041318 0.999532 26.017600 74.522543 0.612520 0.439338 -1.046024 -0.017128 0.037158 0.045878 0.061472 0.008195 -0.009158 -0.001196 -0.006273 0.014617 -0.013988 0.001217 0.012770 11.878459 9.278697 -6.872693 -0.035139 15.810635 0.688231 10.546046 0.003002 461 C 25.167337 11.129861 25.673897 -0.161083 32.590083 0.44943740E+03 0.10699671E+05 8.929931 7.110653 0.079165 1.996224 0.999430 30.109679 88.320582 0.609851 0.421872 -1.056256 0.005049 0.012217 0.003455 0.013663 0.025882 0.013891 -0.003644 0.031136 0.005413 -0.034037 0.001144 0.032893 10.231312 6.687003 -3.120471 0.339131 9.944661 0.215562 14.062273 0.001100 462 C 24.579361 12.212877 26.163857 -0.160943 33.431598 0.47473981E+03 0.11461676E+05 9.132762 7.347431 -0.025525 1.962702 0.998927 30.403103 89.906633 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0.032332 0.068685 -0.030200 0.002263 0.027938 11.178013 9.900114 -0.567019 3.928655 14.939421 -3.463665 8.694505 0.000366 479 C 18.936655 13.383117 2.345683 -0.006369 37.567868 0.42500143E+03 0.98550623E+04 9.726887 6.841074 0.053727 2.029399 0.999270 26.740730 74.352631 0.639658 0.412942 -1.075114 -0.017337 0.028485 -0.013350 0.035919 0.000774 -0.010690 0.014092 -0.022963 0.009871 -0.020321 -0.001828 0.022149 12.555221 10.064756 -1.881798 5.135468 16.829891 -5.423523 10.771016 -0.001846 480 C 17.940887 13.407774 1.414759 -0.085137 32.521462 0.39623090E+03 0.91070703E+04 8.839802 6.634811 0.074217 2.002569 0.999633 28.508608 81.189621 0.639640 0.416620 -1.063457 0.007364 0.028823 -0.004890 0.030148 0.012955 -0.010824 0.017451 -0.011370 0.007924 -0.027648 0.006489 0.021159 10.483803 9.565816 -2.015572 4.855301 12.763563 -3.391821 9.122030 0.001134 481 C 17.529302 14.578037 0.808434 -0.144714 34.333798 0.45390227E+03 0.10799683E+05 9.193537 7.124241 0.132342 2.013549 0.999536 29.748754 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0.94801018E+04 8.768438 6.764730 0.133229 2.020140 0.999742 28.879935 83.226704 0.628159 0.420124 -1.058970 0.013433 0.020137 0.018574 0.030511 -0.002006 0.014239 -0.013392 -0.016365 -0.063007 -0.030400 0.005673 0.024727 10.362684 7.833105 0.896311 -3.466953 8.086450 3.438106 15.168497 0.002401 493 C 8.630008 7.275764 23.028114 -0.025138 35.572177 0.45238750E+03 0.10678715E+05 9.413200 7.098473 -0.014878 1.999249 0.999439 27.477552 77.643396 0.621222 0.417687 -1.069683 -0.008380 0.011445 0.043738 0.045981 -0.006253 0.008793 -0.007375 -0.001476 -0.004095 -0.009748 -0.005199 0.014947 11.544924 8.317373 -0.030986 -4.341970 9.767859 4.721558 16.549539 0.007154 494 C 9.075732 8.542760 23.315965 -0.103364 31.920819 0.43049331E+03 0.10100337E+05 8.738382 6.927788 0.142653 2.016214 0.999673 29.204699 83.991088 0.624428 0.418075 -1.062691 -0.010279 0.000489 0.032128 0.033736 0.012389 -0.005900 -0.023995 0.025807 -0.022962 -0.032866 0.003611 0.029255 10.088382 6.656822 0.447633 -2.529889 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22.510050 14.490563 0.186485 34.538702 0.39548781E+03 0.91257519E+04 9.533611 6.835094 -0.058248 1.992829 0.999619 26.547387 76.848364 0.599216 0.442983 -1.042676 -0.038513 -0.019344 -0.040601 0.059211 -0.000822 0.008662 0.000694 0.016974 -0.000733 -0.008700 -0.005215 0.013916 11.929665 8.076711 2.315576 1.977055 7.083419 0.546615 20.628864 0.003062 504 C 7.344036 4.233448 13.596386 -0.168396 31.276646 0.45231005E+03 0.10792215E+05 8.690602 7.151674 0.057109 1.989966 0.999046 30.220136 88.931949 0.605371 0.424044 -1.054218 -0.001959 0.000713 -0.013691 0.013849 -0.012577 -0.015452 0.005723 0.014925 -0.095535 -0.036009 0.001467 0.034542 9.632967 8.285363 2.813850 1.133037 8.090003 0.705864 12.523534 0.002451 505 C 6.921070 4.011533 12.346989 -0.174043 33.690527 0.49362842E+03 0.12021194E+05 9.168621 7.498176 0.038967 1.979512 0.998872 30.688440 90.814358 0.588866 0.427113 -1.053817 0.009996 0.003477 0.010048 0.014593 -0.010912 -0.018010 -0.001385 0.021447 -0.079270 -0.032843 -0.000162 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0.84620171E+04 9.488623 6.656044 -0.041752 2.009472 0.999685 26.045956 75.294455 0.602268 0.446841 -1.038662 0.046616 0.033308 0.002545 0.057350 -0.004640 0.001852 -0.008093 -0.014934 -0.023505 -0.010792 -0.004846 0.015638 11.804226 13.665708 4.607474 -4.259994 7.680365 -1.614312 14.066605 0.000500 512 C 20.053822 19.547403 13.161547 -0.038000 44.774069 0.46496012E+03 0.11088012E+05 10.967303 7.262746 -0.058639 1.986527 0.999114 27.873102 80.033871 0.603741 0.425419 -1.061231 -0.025746 -0.012533 -0.019276 0.034518 -0.035287 0.035276 -0.008008 -0.039330 -0.163467 -0.070941 -0.001849 0.072790 14.150032 14.861752 5.574617 -0.956995 9.423104 0.823683 18.165239 -0.025181 513 C 20.017786 19.738971 14.527310 0.182860 34.915661 0.38668075E+03 0.88625654E+04 9.567232 6.745195 -0.047946 1.998730 0.999709 26.279597 75.541888 0.605664 0.441233 -1.044871 0.035388 0.026960 0.043154 0.061979 0.001129 0.011859 0.008633 -0.001046 -0.006113 -0.014875 0.000099 0.014777 11.845130 8.671026 2.224320 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16.002474 16.781126 0.192825 32.536449 0.37818107E+03 0.86329419E+04 9.149513 6.688535 -0.027767 2.007366 0.999590 26.214032 75.579196 0.604858 0.443602 -1.041875 0.051954 0.022360 -0.001748 0.056588 -0.001299 0.002880 -0.005095 -0.005435 -0.022239 -0.009612 0.000900 0.008711 10.764732 12.588250 4.554491 3.617406 7.527942 1.981049 12.178004 0.001913 550 C 21.802582 15.494158 15.893073 -0.045408 43.757700 0.48208360E+03 0.11576719E+05 10.759461 7.359071 0.042170 2.011978 0.999302 28.110251 80.449062 0.605464 0.421265 -1.066049 -0.025720 -0.006958 0.012689 0.029511 -0.021708 -0.010493 -0.032738 -0.050775 -0.140298 -0.061648 -0.002155 0.063803 13.449406 14.221923 4.518841 -0.388033 8.128262 0.240646 17.998034 -0.025420 551 C 21.946730 15.423979 14.490563 0.182867 34.617342 0.39653300E+03 0.91560075E+04 9.547462 6.844083 -0.058498 1.992150 0.999622 26.585099 76.986059 0.598821 0.442978 -1.042667 0.039702 0.020889 -0.038407 0.059056 -0.001422 -0.008318 -0.000887 0.015855 -0.003589 -0.008296 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0.999142 26.765186 67.605164 0.797018 0.343386 -1.153167 -0.023932 0.019309 -0.026082 0.040322 -0.017642 -0.029179 -0.003398 0.029164 -0.058493 -0.037987 -0.005290 0.043277 7.866633 12.369558 -1.070114 -0.073480 5.408965 1.300204 5.821375 0.059124 677 O 14.466142 16.988753 10.999599 -0.495469 30.079913 0.43711958E+03 0.99574481E+04 7.628611 6.408277 0.911660 2.357724 0.998882 26.310633 66.865482 0.763211 0.352301 -1.146759 0.016933 0.009230 -0.000913 0.019307 -0.037244 0.003999 -0.007800 0.059920 0.042537 -0.055296 0.012848 0.042448 9.148586 15.250828 -0.966281 2.849014 6.334633 -0.060236 5.860299 0.051708 678 O 15.638303 15.192578 11.483434 -0.532528 27.553633 0.42488819E+03 0.96217081E+04 7.088214 6.252860 0.541351 2.218736 0.998773 26.913474 68.458104 0.783817 0.345075 -1.151359 0.000716 0.032439 0.003847 0.032674 0.013909 -0.018646 -0.000056 -0.076730 0.002957 -0.048172 0.007553 0.040619 7.485352 8.361054 1.148626 1.282108 9.295725 0.097510 4.799276 0.028327 679 O 7.114527 5.379047 5.873394 -0.298428 26.127518 0.40170563E+03 0.89423739E+04 6.962043 6.202223 0.963511 2.406540 0.999204 24.354406 60.804576 0.766202 0.359102 -1.143473 0.064573 -0.014458 0.015929 0.068062 -0.025166 -0.072604 -0.059703 0.099236 -0.063182 -0.116892 0.013548 0.103344 7.496379 5.166146 -0.423497 0.221719 8.339694 -2.727729 8.983298 0.309830 680 O 8.800694 4.026700 6.253113 -0.445526 23.952152 0.35821336E+03 0.77773939E+04 6.424865 5.760304 0.865520 2.346819 0.999513 25.416815 63.422561 0.812145 0.347360 -1.148805 -0.026476 0.040750 0.011969 0.050048 0.000107 0.025066 0.049660 -0.000681 -0.065386 -0.063325 0.010609 0.052716 6.858209 8.693018 -1.135190 -2.571947 5.181962 0.569429 6.699647 0.060824 681 O 9.271093 17.294134 23.695684 -0.529253 27.944357 0.41455346E+03 0.93700299E+04 7.251045 6.273931 0.596950 2.241902 0.998551 26.850879 69.194100 0.761054 0.356066 -1.137498 -0.006141 0.009198 -0.026375 0.028600 -0.002050 -0.028923 -0.042390 0.019193 -0.064004 -0.061375 0.015007 0.046368 7.933096 5.863928 -2.100957 2.008212 8.729291 -2.101197 9.206071 0.022348 682 O 8.478272 19.188937 23.652813 -0.509795 27.476350 0.39060887E+03 0.86901025E+04 7.141649 6.057627 0.561709 2.237348 0.998548 26.292903 67.010808 0.781500 0.352285 -1.141635 0.018301 -0.017003 -0.026800 0.036638 0.021581 -0.043078 0.001667 0.018080 -0.034965 -0.048221 -0.003529 0.051749 7.950998 4.345984 -0.723383 0.172104 10.294407 2.940484 9.212604 0.038392 683 O 16.916686 13.214328 19.457531 -0.441290 34.024414 0.50241536E+03 0.11882075E+05 8.429800 7.028305 0.369381 2.195078 0.996340 26.213920 68.478141 0.702437 0.368697 -1.130752 0.021013 -0.001052 -0.006137 0.021916 0.014469 0.009071 -0.001910 -0.058488 0.074516 -0.046255 0.020201 0.026054 9.689731 9.276508 0.300671 -1.980272 7.723076 -4.114988 12.069610 0.074106 684 O 15.820392 14.405454 18.024399 -0.522260 27.479488 0.40613081E+03 0.90905054E+04 7.083132 6.097957 0.691263 2.265815 0.999063 26.773071 67.627762 0.796985 0.343348 -1.153212 0.022893 -0.018206 -0.026447 0.039433 -0.017477 0.029379 0.003837 0.029751 -0.057343 -0.038113 -0.005215 0.043329 7.869326 12.374032 -1.069887 0.072940 5.410396 -1.300976 5.823551 0.059003 685 O 13.984380 20.945269 10.999599 -0.495662 30.046564 0.43651136E+03 0.99397199E+04 7.621228 6.402384 0.910112 2.357444 0.998918 26.301707 66.820716 0.763850 0.352143 -1.146935 -0.016855 -0.009187 -0.000797 0.019212 -0.036953 -0.004824 0.007390 0.059927 0.042655 -0.054991 0.012503 0.042488 9.138906 15.233052 -0.966779 -2.844959 6.328810 0.060499 5.854856 0.051828 686 O 12.812220 3.774444 11.483434 -0.531948 27.551679 0.42484408E+03 0.96206463E+04 7.088617 6.253217 0.549851 2.221328 0.998740 26.908811 68.450363 0.783651 0.345151 -1.151274 -0.000184 -0.033254 0.003440 0.033432 0.013669 0.019148 -0.000216 -0.076419 0.001850 -0.048222 0.007685 0.040536 7.485760 8.361134 1.148682 -1.282021 9.296565 -0.097501 4.799581 0.028274 687 O 2.368984 13.587965 5.873394 -0.298018 26.096765 0.40113048E+03 0.89262384E+04 6.956134 6.197385 0.960255 2.405728 0.999214 24.342212 60.759805 0.766586 0.359056 -1.143527 -0.064933 0.014830 0.015640 0.068417 -0.025455 0.072693 0.059945 0.098521 -0.062001 -0.117112 0.013990 0.103122 7.489511 5.162147 -0.423603 -0.221952 8.331856 2.724325 8.974531 0.309813 688 O 19.649818 14.940312 6.253113 -0.445939 23.963386 0.35845101E+03 0.77840051E+04 6.427575 5.762831 0.865314 2.346632 0.999496 25.420788 63.442670 0.811820 0.347435 -1.148720 0.026107 -0.041384 0.011502 0.050264 -0.000169 -0.025470 -0.049642 -0.001855 -0.064635 -0.063332 0.010361 0.052971 6.861027 8.696189 -1.135546 2.573237 5.183892 -0.569760 6.702998 0.060811 689 O 4.741751 18.967001 0.667570 -0.586203 42.551422 0.75897189E+03 0.19825704E+05 9.546790 8.490980 0.197505 2.074096 0.998950 29.716537 80.597669 0.658237 0.356222 -1.144779 0.000561 0.000763 -0.007171 0.007234 0.013099 -0.000096 -0.000584 0.021942 -0.026768 -0.012688 -0.008863 0.021551 10.577805 17.853665 4.062037 -0.000051 7.493307 -0.000091 6.386444 0.303659 690 O 23.708766 9.483516 15.978816 -0.523903 40.246694 0.71148041E+03 0.18271411E+05 9.172432 8.205793 0.290472 2.116319 0.998886 28.874232 77.428859 0.672028 0.354903 -1.146839 0.000132 0.001104 -0.007811 0.007890 0.017710 -0.000028 -0.000094 0.034198 0.054834 -0.033757 0.015477 0.018279 10.123217 7.218046 -3.826494 0.000628 16.971748 -0.001868 6.179856 -0.004264 691 O 23.708779 9.483529 29.954922 -0.586217 42.552162 0.75898200E+03 0.19826028E+05 9.546899 8.491026 0.197510 2.074094 0.998950 29.716716 80.598205 0.658236 0.356222 -1.144780 -0.000561 -0.000764 0.007202 0.007264 0.013100 -0.000096 -0.000584 0.021941 -0.026780 -0.012688 -0.008867 0.021554 10.578032 17.854210 4.062144 -0.000047 7.493398 -0.000090 6.386487 0.303645 692 O 4.741764 18.967014 14.643676 -0.586225 42.515503 0.75832130E+03 0.19804018E+05 9.540878 8.487076 0.208173 2.077682 0.998966 29.704021 80.548276 0.658433 0.356200 -1.144822 -0.000123 -0.001077 0.006910 0.006995 -0.011447 -0.000017 -0.000111 -0.021914 -0.026728 -0.011392 -0.008908 0.020300 10.568703 7.489184 -4.057563 0.000681 17.833748 -0.002011 6.383177 0.303487 ****************************************************** Auxiliary information for the entire system The total spin magnetic moment of the unit cell is 23.065683 The total net atomic charge of the unit cell is -0.000005 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= 456798 The rms potential error without charges in kcal/mol is= 6.03836 The rms potential error with partial charges in kcal/mol is= 0.92410 The RRMSE value at monopole order= 0.15304 The rms potential error with partial charges and cloud penetration in kcal/mol is= 0.92636 The RRMSE value at monopole order with cloud penetration is= 0.15341 The rms potential error with partial charges and atomic dipoles in kcal/mol is= 0.34623 The RRMSE value at dipole order= 0.05734 The rms potential error with partial charges, atomic dipoles and cloud penetration in kcal/mol is= 0.33869 The RRMSE value at dipole order with cloud penetration= 0.05609 ****************************************************** 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.