236 jmolscript: load "" {1 1 1} spacegroup "x,y,z" unitcell [{ 15.175100 0.000000 0.000000 }, { 0.000000 15.175100 0.000000 }, { 0.000000 0.000000 22.560400 }] Zn 11.495594 10.118605 19.313733 0.798385 Zn 3.679506 5.056495 8.033758 0.798383 Zn 12.644045 3.908044 13.673633 0.798385 Zn 2.531055 11.267056 2.393658 0.798382 Zn 11.267056 2.531055 20.166967 0.798385 Zn 3.908044 12.644045 8.886767 0.798385 Zn 10.118605 11.495594 3.246667 0.798385 Zn 5.056495 3.679506 14.526867 0.798385 Zn 10.945496 10.945496 0.000000 1.013109 Zn 4.229604 4.229604 11.280200 1.013098 Zn 11.817154 3.357946 16.920300 1.013109 Zn 3.357946 11.817154 5.640100 1.013098 H 15.085567 11.243232 0.836991 0.106818 H 0.555409 9.602803 19.796751 0.120444 H 2.851401 9.545138 20.270519 0.133590 H 4.925837 9.643776 20.839041 0.128711 H 7.121674 9.798562 21.563230 0.129628 H 5.755915 11.188601 2.538045 0.106725 H 8.643737 12.032337 20.430698 0.037531 H 0.089533 3.931868 12.117191 0.106819 H 14.619691 5.572297 8.516551 0.120448 H 12.323699 5.629962 8.990319 0.133594 H 10.249263 5.531324 9.558841 0.128712 H 8.053426 5.376538 10.283030 0.129629 H 9.419185 3.986499 13.818245 0.106729 H 6.531363 3.142763 9.150498 0.037533 H 11.519418 7.498017 17.757291 0.106819 H 13.159847 8.142959 14.156651 0.120446 H 13.217512 10.438951 14.630419 0.133592 H 13.118874 12.513387 15.198941 0.128711 H 12.964088 14.709224 15.923130 0.129629 H 11.574049 13.343465 19.458345 0.106729 H 10.730313 1.056187 14.790598 0.037531 H 3.655682 7.677083 6.477091 0.106819 H 2.015253 7.032141 2.876451 0.120446 H 1.957588 4.736149 3.350219 0.133591 H 2.056226 2.661713 3.918741 0.128712 H 2.211012 0.465876 4.642930 0.129628 H 3.601051 1.831635 8.178145 0.106725 H 4.444787 14.118913 3.510398 0.037533 H 7.677083 3.655682 16.083309 0.106818 H 7.032141 2.015253 19.683949 0.120447 H 4.736149 1.957588 19.210181 0.133593 H 2.661713 2.056226 18.641659 0.128713 H 0.465876 2.211012 17.917470 0.129630 H 1.831635 3.601051 14.382255 0.106728 H 14.118913 4.444787 19.050002 0.037531 H 7.498017 11.519418 4.803109 0.106820 H 8.142959 13.159847 8.403749 0.120446 H 10.438951 13.217512 7.929981 0.133592 H 12.513387 13.118874 7.361459 0.128712 H 14.709224 12.964088 6.637270 0.129630 H 13.343465 11.574049 3.102055 0.106731 H 1.056187 10.730313 7.769802 0.037531 H 11.243232 15.085567 21.723409 0.106819 H 9.602803 0.555409 2.763649 0.120446 H 9.545138 2.851401 2.289881 0.133593 H 9.643776 4.925837 1.721359 0.128712 H 9.798562 7.121674 0.997170 0.129630 H 11.188601 5.755915 20.022355 0.106728 H 12.032337 8.643737 2.129702 0.037532 H 3.931868 0.089533 10.443209 0.106819 H 5.572297 14.619691 14.043849 0.120447 H 5.629962 12.323699 13.570081 0.133593 H 5.531324 10.249263 13.001559 0.128713 H 5.376538 8.053426 12.277370 0.129630 H 3.986499 9.419185 8.742155 0.106730 H 3.142763 6.531363 13.409902 0.037531 C 0.508366 10.885099 0.189507 0.101621 C -0.016693 10.435916 21.549694 -0.064925 C 0.875603 9.926033 20.631486 -0.036769 C 2.230740 9.875955 20.908979 -0.170511 C 2.655643 10.326656 22.152057 0.175621 C 4.076032 10.325138 -0.022560 0.161246 C 5.112491 9.960936 21.714385 -0.160627 C 6.408445 10.048951 22.138521 -0.039025 C 6.670974 10.510274 0.864063 -0.061160 C 5.584437 10.880547 1.655933 0.091022 C 13.677318 10.551247 21.269043 0.607570 C 8.083776 10.801636 1.303991 0.596358 C 9.287161 11.467823 20.017843 0.483069 C 14.666734 4.290001 11.469707 0.101630 C 0.016693 4.739184 10.269494 -0.064928 C 14.299497 5.249067 9.351286 -0.036761 C 12.944360 5.299145 9.628779 -0.170507 C 12.519458 4.848444 10.871857 0.175617 C 11.099068 4.849962 11.257640 0.161213 C 10.062609 5.214164 10.434185 -0.160622 C 8.766655 5.126149 10.858321 -0.039022 C 8.504126 4.664826 12.144263 -0.061156 C 9.590663 4.294553 12.936133 0.091003 C 1.497782 4.623853 9.988843 0.607566 C 7.091324 4.373464 12.584191 0.596358 C 5.887939 3.707277 8.737643 0.483063 C 11.877551 8.095916 17.109807 0.101629 C 12.326734 7.570857 15.909594 -0.064926 C 12.836617 8.463153 14.991386 -0.036764 C 12.886695 9.818290 15.268879 -0.170509 C 12.435994 10.243193 16.511957 0.175617 C 12.437512 11.663582 16.897740 0.161213 C 12.801714 12.700041 16.074285 -0.160624 C 12.713699 13.995995 16.498421 -0.039023 C 12.252376 14.258524 17.784363 -0.061156 C 11.882103 13.171987 18.576233 0.091002 C 12.211403 6.089768 15.628943 0.607569 C 11.961014 0.496226 18.224291 0.596358 C 11.294827 1.699611 14.377743 0.483069 C 3.297549 7.079184 5.829607 0.101622 C 2.848366 7.604243 4.629394 -0.064928 C 2.338483 6.711947 3.711186 -0.036765 C 2.288405 5.356810 3.988679 -0.170509 C 2.739106 4.931908 5.231757 0.175622 C 2.737588 3.511518 5.617540 0.161246 C 2.373386 2.475059 4.794085 -0.160625 C 2.461401 1.179105 5.218221 -0.039025 C 2.922724 0.916576 6.504163 -0.061161 C 3.292997 2.003113 7.296033 0.091022 C 2.963697 9.085332 4.348743 0.607567 C 3.214086 14.678874 6.944091 0.596359 C 3.880273 13.475489 3.097543 0.483063 C 7.079184 3.297549 16.730793 0.101628 C 7.604243 2.848366 17.931006 -0.064924 C 6.711947 2.338483 18.849214 -0.036761 C 5.356810 2.288405 18.571721 -0.170506 C 4.931908 2.739106 17.328643 0.175615 C 3.511518 2.737588 16.942860 0.161213 C 2.475059 2.373386 17.766315 -0.160622 C 1.179105 2.461401 17.342179 -0.039020 C 0.916576 2.922724 16.056237 -0.061156 C 2.003113 3.292997 15.264367 0.091000 C 9.085332 2.963697 18.211657 0.607569 C 14.678874 3.214086 15.616309 0.596358 C 13.475489 3.880273 19.462857 0.483068 C 8.095916 11.877551 5.450593 0.101630 C 7.570857 12.326734 6.650806 -0.064925 C 8.463153 12.836617 7.569014 -0.036763 C 9.818290 12.886695 7.291521 -0.170508 C 10.243193 12.435994 6.048443 0.175616 C 11.663582 12.437512 5.662660 0.161214 C 12.700041 12.801714 6.486115 -0.160623 C 13.995995 12.713699 6.061979 -0.039021 C 14.258524 12.252376 4.776037 -0.061156 C 13.171987 11.882103 3.984167 0.091003 C 6.089768 12.211403 6.931457 0.607569 C 0.496226 11.961014 4.336109 0.596346 C 1.699611 11.294827 8.182657 0.483068 C 10.885099 0.508366 22.370893 0.101629 C 10.435916 -0.016693 1.010706 -0.064925 C 9.926033 0.875603 1.928914 -0.036763 C 9.875955 2.230740 1.651421 -0.170508 C 10.326656 2.655643 0.408343 0.175616 C 10.325138 4.076032 0.022560 0.161213 C 9.960936 5.112491 0.846015 -0.160623 C 10.048951 6.408445 0.421879 -0.039021 C 10.510274 6.670974 21.696337 -0.061155 C 10.880547 5.584437 20.904467 0.091001 C 10.551247 13.677318 1.291357 0.607569 C 10.801636 8.083776 21.256409 0.596358 C 11.467823 9.287161 2.542557 0.483068 C 4.290001 14.666734 11.090693 0.101629 C 4.739184 0.016693 12.290906 -0.064925 C 5.249067 14.299497 13.209114 -0.036761 C 5.299145 12.944360 12.931621 -0.170506 C 4.848444 12.519458 11.688543 0.175615 C 4.849962 11.099068 11.302760 0.161215 C 5.214164 10.062609 12.126215 -0.160622 C 5.126149 8.766655 11.702079 -0.039020 C 4.664826 8.504126 10.416137 -0.061157 C 4.294553 9.590663 9.624267 0.091002 C 4.623853 1.497782 12.571557 0.607569 C 4.373464 7.091324 9.976209 0.596346 C 3.707277 5.887939 13.822757 0.483068 N 1.780039 10.839574 0.478280 -0.231737 N 4.321868 10.821364 1.240822 -0.248697 N 13.395061 4.335526 11.758480 -0.231723 N 10.853232 4.353736 12.521022 -0.248619 N 11.923076 9.367589 17.398580 -0.231723 N 11.941286 11.909418 18.161122 -0.248619 N 3.252024 5.807511 6.118380 -0.231737 N 3.233814 3.265682 6.880922 -0.248697 N 5.807511 3.252024 16.442020 -0.231725 N 3.265682 3.233814 15.679478 -0.248622 N 9.367589 11.923076 5.161820 -0.231722 N 11.909418 11.941286 4.399278 -0.248619 N 10.839574 1.780039 22.082120 -0.231724 N 10.821364 4.321868 21.319578 -0.248621 N 4.335526 13.395061 10.801920 -0.231723 N 4.353736 10.853232 10.039378 -0.248620 O 12.959535 11.017123 22.160404 -0.539302 O 13.325104 10.109652 20.135608 -0.562209 O 8.877434 10.953387 0.327126 -0.569602 O 8.283632 10.920305 2.533082 -0.523240 O 10.418010 11.306512 20.569896 -0.537538 O 9.003387 10.895722 18.940133 -0.539631 O 2.215565 4.157977 10.880204 -0.539294 O 1.849996 5.065448 8.855408 -0.562186 O 6.297667 4.221713 11.607326 -0.569602 O 6.891468 4.254795 13.813282 -0.523234 O 4.757090 3.868588 9.289696 -0.537522 O 6.171713 4.279378 7.659933 -0.539615 O 11.745527 5.371985 16.520304 -0.539298 O 12.652998 5.737554 14.495508 -0.562208 O 11.809263 1.289884 17.247426 -0.569602 O 11.842345 0.696082 19.453382 -0.523236 O 11.456138 2.830460 14.929796 -0.537538 O 11.866928 1.415837 13.300033 -0.539631 O 3.429573 9.803115 5.240104 -0.539297 O 2.522102 9.437546 3.215308 -0.562187 O 3.365837 13.885217 5.967226 -0.569602 O 3.332755 14.479018 8.173182 -0.523239 O 3.718962 12.344640 3.649596 -0.537522 O 3.308172 13.759263 2.019833 -0.539615 O 9.803115 3.429573 17.320296 -0.539300 O 9.437546 2.522102 19.345092 -0.562205 O 13.885217 3.365837 16.593174 -0.569600 O 14.479018 3.332755 14.387218 -0.523239 O 12.344640 3.718962 18.910804 -0.537539 O 13.759263 3.308172 20.540567 -0.539629 O 5.371985 11.745527 6.040096 -0.539297 O 5.737554 12.652998 8.064892 -0.562206 O 1.289884 11.809263 5.312974 -0.569601 O 0.696082 11.842345 3.107018 -0.523212 O 2.830460 11.456138 7.630604 -0.537537 O 1.415837 11.866928 9.260367 -0.539629 O 11.017123 12.959535 0.399996 -0.539298 O 10.109652 13.325104 2.424792 -0.562207 O 10.953387 8.877434 22.233274 -0.569600 O 10.920305 8.283632 20.027318 -0.523237 O 11.306512 10.418010 1.990504 -0.537538 O 10.895722 9.003387 3.620267 -0.539632 O 4.157977 2.215565 11.680196 -0.539299 O 5.065448 1.849996 13.704992 -0.562204 O 4.221713 6.297667 10.953074 -0.569600 O 4.254795 6.891468 8.747118 -0.523213 O 3.868588 4.757090 13.270704 -0.537538 O 4.279378 6.171713 14.900467 -0.539626 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 Zn 11.495594 10.118605 19.313733 0.798385 104.663179 0.21349814E+04 0.70159335E+05 18.129399 15.086045 0.350340 1.953584 0.996838 48.303191 133.651841 0.466258 0.399750 -1.145008 -0.013196 -0.037399 0.065076 0.076208 -0.006693 0.020003 0.024985 0.066136 -0.201716 -0.078516 0.008764 0.069752 21.757474 17.244286 -0.030017 -3.339056 22.140607 -2.571537 25.887528 0.000000 2 Zn 3.679506 5.056495 8.033758 0.798383 104.659946 0.21350081E+04 0.70160604E+05 18.129212 15.086264 0.350198 1.953552 0.996842 48.303433 133.653950 0.466248 0.399756 -1.145000 0.013191 0.037388 0.065092 0.076216 -0.006689 -0.019993 -0.024975 0.066125 -0.201925 -0.078565 0.008788 0.069776 21.756903 17.245831 -0.030108 3.338229 22.140119 2.572271 25.884758 0.000000 3 Zn 12.644045 3.908044 13.673633 0.798385 104.663177 0.21349809E+04 0.70159319E+05 18.129399 15.086045 0.350340 1.953584 0.996838 48.303185 133.651825 0.466258 0.399750 -1.145008 0.037399 -0.013196 0.065076 0.076208 0.006693 -0.024985 0.020003 -0.066137 -0.201715 -0.078516 0.008764 0.069752 21.757476 22.140631 0.030015 2.571534 17.244283 -3.339047 25.887515 0.000000 4 Zn 2.531055 11.267056 2.393658 0.798382 104.659945 0.21350084E+04 0.70160618E+05 18.129211 15.086264 0.350199 1.953552 0.996842 48.303438 133.653964 0.466248 0.399756 -1.145000 -0.037388 0.013191 0.065092 0.076216 0.006690 0.024976 -0.019992 -0.066125 -0.201927 -0.078565 0.008789 0.069776 21.756900 22.140095 0.030110 -2.572275 17.245834 3.338239 25.884771 0.000000 5 Zn 11.267056 2.531055 20.166967 0.798385 104.663123 0.21349797E+04 0.70159266E+05 18.129391 15.086039 0.350340 1.953584 0.996838 48.303171 133.651756 0.466259 0.399750 -1.145008 0.013196 -0.037399 -0.065076 0.076208 0.006693 0.020004 -0.024985 0.066138 -0.201717 -0.078517 0.008764 0.069753 21.757471 17.244257 0.030013 -3.339055 22.140614 2.571534 25.887543 0.000000 6 Zn 3.908044 12.644045 8.886767 0.798385 104.663207 0.21349809E+04 0.70159316E+05 18.129403 15.086043 0.350340 1.953584 0.996838 48.303184 133.651809 0.466259 0.399750 -1.145008 -0.013196 0.037399 -0.065076 0.076208 0.006694 -0.020004 0.024985 0.066138 -0.201715 -0.078516 0.008764 0.069753 21.757495 17.244269 0.030006 3.339071 22.140636 -2.571537 25.887582 0.000000 7 Zn 10.118605 11.495594 3.246667 0.798385 104.663264 0.21349815E+04 0.70159342E+05 18.129409 15.086046 0.350339 1.953584 0.996838 48.303190 133.651844 0.466258 0.399750 -1.145008 -0.037399 -0.013196 -0.065076 0.076208 -0.006693 -0.024985 -0.020004 -0.066138 -0.201714 -0.078516 0.008764 0.069752 21.757517 22.140658 -0.030007 2.571558 17.244284 3.339064 25.887608 0.000000 8 Zn 5.056495 3.679506 14.526867 0.798385 104.663065 0.21349791E+04 0.70159239E+05 18.129384 15.086036 0.350341 1.953584 0.996838 48.303165 133.651720 0.466259 0.399749 -1.145008 0.037399 0.013196 -0.065076 0.076208 -0.006694 0.024985 0.020004 -0.066138 -0.201718 -0.078517 0.008764 0.069753 21.757450 22.140592 -0.030012 -2.571514 17.244242 -3.339062 25.887515 0.000000 9 Zn 10.945496 10.945496 0.000000 1.013109 94.729379 0.16160860E+04 0.49810543E+05 18.147474 14.152123 0.131418 1.923441 0.998340 44.180610 120.544102 0.427602 0.464740 -1.096617 0.009367 0.009367 0.000000 0.013247 0.024225 0.024003 -0.024002 -0.000002 -0.086470 -0.054569 0.015932 0.038636 22.912686 22.698416 -1.871637 -3.201616 22.698366 3.201598 23.341276 -0.000000 10 Zn 4.229604 4.229604 11.280200 1.013098 94.729200 0.16160908E+04 0.49810748E+05 18.147525 14.152195 0.131483 1.923456 0.998341 44.180912 120.545161 0.427598 0.464743 -1.096615 -0.009366 -0.009369 0.000008 0.013248 0.024227 -0.024003 0.024007 0.000001 -0.086500 -0.054577 0.015934 0.038644 22.912712 22.698267 -1.871638 3.201717 22.698385 -3.201774 23.341485 -0.000000 11 Zn 11.817154 3.357946 16.920300 1.013109 94.729330 0.16160861E+04 0.49810547E+05 18.147466 14.152123 0.131418 1.923441 0.998340 44.180600 120.544072 0.427602 0.464740 -1.096617 -0.009367 0.009367 0.000000 0.013247 -0.024225 0.024002 0.024003 0.000000 -0.086471 -0.054569 0.015932 0.038637 22.912661 22.698364 1.871632 -3.201591 22.698389 -3.201592 23.341230 -0.000000 12 Zn 3.357946 11.817154 5.640100 1.013098 94.729243 0.16160906E+04 0.49810739E+05 18.147532 14.152195 0.131483 1.923456 0.998341 44.180921 120.545189 0.427598 0.464743 -1.096615 0.009369 -0.009366 0.000008 0.013247 -0.024227 -0.024007 -0.024004 0.000001 -0.086498 -0.054578 0.015934 0.038643 22.912737 22.698387 1.871643 3.201782 22.698294 3.201741 23.341531 -0.000000 13 H 15.085567 11.243232 0.836991 0.106818 1.236321 0.88670291E+01 0.88974406E+02 1.866588 1.710181 -1.300538 2.256434 0.995523 3.635451 10.160725 0.493494 1.236907 -0.717747 -0.028566 0.019007 0.030509 0.045914 -0.004030 -0.008487 0.003172 0.000254 -0.006149 -0.009087 -0.001746 0.010834 1.947076 2.181458 -0.261000 -0.362574 1.521796 0.316447 2.137972 0.000000 14 H 0.555409 9.602803 19.796751 0.120444 1.176147 0.83790092E+01 0.81423375E+02 1.702924 1.588061 -0.893712 2.455915 0.998960 3.194358 8.286249 0.558440 1.128685 -0.747647 -0.013164 -0.016226 -0.037851 0.043235 -0.000547 -0.001460 0.011275 0.000854 0.036629 -0.011824 -0.005779 0.017603 1.764097 1.720610 0.108082 0.382780 1.433836 0.309788 2.137847 -0.000001 15 H 2.851401 9.545138 20.270519 0.133590 1.083017 0.76052471E+01 0.72038337E+02 1.601778 1.506349 -0.837422 2.490937 0.999424 3.070867 7.830102 0.577945 1.118843 -0.750298 0.020397 -0.013245 -0.029605 0.038314 -0.003140 -0.002323 0.011295 0.016350 0.027003 -0.017677 0.002834 0.014843 1.634638 1.872726 -0.174936 -0.277639 1.341562 0.215977 1.689627 -0.000001 16 H 4.925837 9.643776 20.839041 0.128711 1.109465 0.79378274E+01 0.76213485E+02 1.648787 1.555867 -0.829404 2.492775 0.999335 3.127821 8.104289 0.557830 1.143601 -0.744089 -0.000447 -0.011722 -0.034897 0.036816 -0.002207 -0.001804 0.011015 0.016100 0.029345 -0.017495 0.002710 0.014785 1.674464 1.644914 0.052232 0.180332 1.365442 0.276813 2.013035 -0.000001 17 H 7.121674 9.798562 21.563230 0.129628 1.152251 0.81193931E+01 0.79570667E+02 1.794221 1.649437 -0.887846 2.472182 0.998951 3.310791 9.097097 0.497391 1.256548 -0.716069 0.031691 -0.011993 -0.027513 0.043648 -0.007919 -0.005461 0.009103 0.013382 0.015617 -0.015070 -0.000841 0.015911 1.900660 2.441556 -0.195661 -0.520459 1.466900 0.176819 1.793524 0.000000 18 H 5.755915 11.188601 2.538045 0.106725 1.108385 0.80385690E+01 0.79383152E+02 1.796487 1.675937 -1.113255 2.349505 0.996735 3.644304 10.390562 0.473357 1.310291 -0.701458 0.007425 0.013215 0.045858 0.048298 0.004856 0.002596 0.003679 -0.002078 0.033727 -0.010592 -0.002160 0.012752 1.854361 1.743112 0.025336 0.109667 1.485498 0.354844 2.334474 0.000000 19 H 8.643737 12.032337 20.430698 0.037531 1.590995 0.12356520E+02 0.13291957E+03 2.126327 1.967002 -0.877728 2.433257 0.998569 3.720443 10.304833 0.484918 1.174207 -0.736959 -0.044324 0.035553 0.024881 0.062029 -0.008579 -0.000493 0.005904 0.006764 -0.021654 -0.011432 -0.002106 0.013539 2.187407 2.442522 -0.536458 -0.461445 2.118685 0.276202 2.001015 -0.000000 20 H 0.089533 3.931868 12.117191 0.106819 1.236311 0.88669628E+01 0.88973526E+02 1.866574 1.710172 -1.300511 2.256446 0.995523 3.635432 10.160642 0.493497 1.236903 -0.717748 0.028568 -0.019007 0.030509 0.045916 -0.004031 0.008487 -0.003172 0.000256 -0.006151 -0.009087 -0.001747 0.010834 1.947058 2.181446 -0.260995 0.362564 1.521785 -0.316439 2.137943 0.000000 21 H 14.619691 5.572297 8.516551 0.120448 1.176102 0.83785907E+01 0.81418230E+02 1.702878 1.588019 -0.893669 2.455941 0.998960 3.194281 8.285974 0.558449 1.128682 -0.747648 0.013164 0.016226 -0.037852 0.043236 -0.000547 0.001459 -0.011275 0.000854 0.036629 -0.011824 -0.005779 0.017603 1.764050 1.720561 0.108079 -0.382764 1.433801 -0.309777 2.137787 -0.000001 22 H 12.323699 5.629962 8.990319 0.133594 1.082990 0.76049975E+01 0.72035336E+02 1.601748 1.506321 -0.837402 2.490949 0.999424 3.070818 7.829926 0.577952 1.118839 -0.750299 -0.020397 0.013245 -0.029606 0.038314 -0.003140 0.002323 -0.011295 0.016349 0.027004 -0.017677 0.002833 0.014844 1.634608 1.872685 -0.174931 0.277633 1.341540 -0.215973 1.689599 -0.000001 23 H 10.249263 5.531324 9.558841 0.128712 1.109445 0.79376470E+01 0.76211272E+02 1.648764 1.555846 -0.829388 2.492784 0.999335 3.127788 8.104161 0.557835 1.143596 -0.744090 0.000446 0.011722 -0.034897 0.036816 -0.002207 0.001804 -0.011015 0.016099 0.029346 -0.017495 0.002709 0.014785 1.674440 1.644889 0.052231 -0.180326 1.365426 -0.276807 2.013005 -0.000001 24 H 8.053426 5.376538 10.283030 0.129629 1.152244 0.81193221E+01 0.79569758E+02 1.794210 1.649427 -0.887846 2.472183 0.998951 3.310774 9.097024 0.497393 1.256544 -0.716070 -0.031691 0.011993 -0.027513 0.043648 -0.007919 0.005461 -0.009103 0.013381 0.015617 -0.015070 -0.000841 0.015911 1.900648 2.441540 -0.195660 0.520456 1.466892 -0.176817 1.793513 0.000000 25 H 9.419185 3.986499 13.818245 0.106729 1.108374 0.80384945E+01 0.79382292E+02 1.796481 1.675934 -1.113267 2.349501 0.996735 3.644291 10.390542 0.473355 1.310299 -0.701456 -0.007428 -0.013216 0.045860 0.048300 0.004857 -0.002595 -0.003678 -0.002083 0.033730 -0.010593 -0.002159 0.012752 1.854353 1.743107 0.025337 -0.109670 1.485495 -0.354839 2.334456 0.000000 26 H 6.531363 3.142763 9.150498 0.037533 1.590970 0.12356246E+02 0.13291582E+03 2.126300 1.966977 -0.877714 2.433265 0.998569 3.720410 10.304696 0.484923 1.174204 -0.736960 0.044324 -0.035553 0.024880 0.062030 -0.008580 0.000493 -0.005904 0.006766 -0.021655 -0.011433 -0.002107 0.013539 2.187381 2.442497 -0.536453 0.461434 2.118660 -0.276193 2.000985 -0.000000 27 H 11.519418 7.498017 17.757291 0.106819 1.236316 0.88670047E+01 0.88974062E+02 1.866579 1.710176 -1.300518 2.256442 0.995523 3.635442 10.160680 0.493496 1.236903 -0.717748 -0.019007 -0.028568 0.030509 0.045915 0.004030 -0.003172 -0.008487 -0.000255 -0.006151 -0.009088 -0.001747 0.010834 1.947064 1.521789 0.260997 -0.316441 2.181452 -0.362566 2.137951 0.000000 28 H 13.159847 8.142959 14.156651 0.120446 1.176135 0.83788941E+01 0.81421954E+02 1.702912 1.588049 -0.893703 2.455922 0.998960 3.194334 8.286164 0.558443 1.128684 -0.747648 0.016226 -0.013164 -0.037851 0.043235 0.000547 -0.011275 -0.001460 -0.000853 0.036629 -0.011824 -0.005779 0.017603 1.764085 1.433827 -0.108082 -0.309787 1.720596 0.382777 2.137834 -0.000001 29 H 13.217512 10.438951 14.630419 0.133592 1.082999 0.76050824E+01 0.72036357E+02 1.601758 1.506331 -0.837410 2.490945 0.999424 3.070835 7.829987 0.577950 1.118840 -0.750299 0.013245 0.020397 -0.029606 0.038314 0.003140 -0.011295 -0.002323 -0.016349 0.027004 -0.017677 0.002833 0.014844 1.634618 1.341547 0.174933 -0.215975 1.872697 -0.277635 1.689609 -0.000001 30 H 13.118874 12.513387 15.198941 0.128711 1.109453 0.79377207E+01 0.76212180E+02 1.648773 1.555855 -0.829394 2.492780 0.999335 3.127802 8.104216 0.557833 1.143599 -0.744090 0.011722 -0.000446 -0.034897 0.036816 0.002207 -0.011015 -0.001804 -0.016099 0.029345 -0.017495 0.002710 0.014785 1.674449 1.365433 -0.052231 -0.276809 1.644899 0.180327 2.013016 -0.000001 31 H 12.964088 14.709224 15.923130 0.129629 1.152245 0.81193327E+01 0.79569918E+02 1.794214 1.649431 -0.887843 2.472185 0.998951 3.310777 9.097046 0.497392 1.256548 -0.716069 0.011993 0.031691 -0.027513 0.043648 0.007919 -0.009103 -0.005461 -0.013382 0.015617 -0.015070 -0.000841 0.015911 1.900653 1.466895 0.195661 -0.176818 2.441546 -0.520458 1.793517 0.000000 32 H 11.574049 13.343465 19.458345 0.106729 1.108375 0.80385015E+01 0.79382378E+02 1.796482 1.675935 -1.113267 2.349501 0.996735 3.644293 10.390549 0.473355 1.310299 -0.701456 -0.013215 0.007428 0.045860 0.048300 -0.004857 -0.003678 0.002595 0.002083 0.033730 -0.010593 -0.002159 0.012752 1.854354 1.485495 -0.025337 -0.354839 1.743108 0.109670 2.334457 0.000000 33 H 10.730313 1.056187 14.790598 0.037531 1.590995 0.12356518E+02 0.13291953E+03 2.126326 1.967002 -0.877728 2.433257 0.998569 3.720442 10.304827 0.484919 1.174207 -0.736959 -0.035553 -0.044323 0.024881 0.062029 0.008579 -0.005904 -0.000493 -0.006764 -0.021654 -0.011432 -0.002106 0.013539 2.187406 2.118684 0.536458 -0.276201 2.442522 -0.461445 2.001014 -0.000000 34 H 3.655682 7.677083 6.477091 0.106819 1.236316 0.88669864E+01 0.88973861E+02 1.866583 1.710176 -1.300531 2.256437 0.995523 3.635441 10.160687 0.493495 1.236907 -0.717747 0.019007 0.028566 0.030509 0.045914 0.004030 0.003172 0.008487 -0.000255 -0.006149 -0.009087 -0.001747 0.010834 1.947069 1.521792 0.260998 0.316445 2.181451 0.362571 2.137964 0.000000 35 H 2.015253 7.032141 2.876451 0.120446 1.176114 0.83787039E+01 0.81419624E+02 1.702890 1.588031 -0.893678 2.455935 0.998960 3.194305 8.286058 0.558447 1.128683 -0.747648 -0.016226 0.013164 -0.037852 0.043236 0.000547 0.011275 0.001459 -0.000855 0.036628 -0.011824 -0.005778 0.017603 1.764061 1.433809 -0.108079 0.309779 1.720575 -0.382767 2.137799 -0.000001 36 H 1.957588 4.736149 3.350219 0.133591 1.083008 0.76051618E+01 0.72037309E+02 1.601768 1.506339 -0.837414 2.490941 0.999424 3.070850 7.830040 0.577948 1.118841 -0.750299 -0.013244 -0.020397 -0.029606 0.038314 0.003140 0.011295 0.002323 -0.016349 0.027003 -0.017677 0.002833 0.014843 1.634628 1.341554 0.174935 0.215975 1.872713 0.277637 1.689617 -0.000001 37 H 2.056226 2.661713 3.918741 0.128712 1.109457 0.79377525E+01 0.76212563E+02 1.648777 1.555858 -0.829398 2.492778 0.999335 3.127807 8.104234 0.557832 1.143598 -0.744090 -0.011722 0.000447 -0.034897 0.036816 0.002207 0.011015 0.001804 -0.016099 0.029345 -0.017495 0.002710 0.014785 1.674454 1.365435 -0.052232 0.276810 1.644904 -0.180331 2.013023 -0.000001 38 H 2.211012 0.465876 4.642930 0.129628 1.152250 0.81193824E+01 0.79570510E+02 1.794217 1.649434 -0.887849 2.472181 0.998951 3.310788 9.097076 0.497392 1.256545 -0.716070 -0.011993 -0.031691 -0.027513 0.043647 0.007919 0.009103 0.005461 -0.013382 0.015617 -0.015070 -0.000840 0.015911 1.900656 1.466897 0.195661 0.176818 2.441551 0.520458 1.793520 0.000000 39 H 3.601051 1.831635 8.178145 0.106725 1.108384 0.80385620E+01 0.79383066E+02 1.796486 1.675936 -1.113255 2.349505 0.996735 3.644302 10.390555 0.473357 1.310291 -0.701458 0.013216 -0.007425 0.045858 0.048298 -0.004856 0.003679 -0.002596 0.002078 0.033727 -0.010592 -0.002160 0.012752 1.854360 1.485497 -0.025336 0.354843 1.743111 -0.109667 2.334472 0.000000 40 H 4.444787 14.118913 3.510398 0.037533 1.590971 0.12356255E+02 0.13291596E+03 2.126302 1.966979 -0.877714 2.433265 0.998569 3.720412 10.304705 0.484922 1.174204 -0.736960 0.035553 0.044324 0.024880 0.062030 0.008580 0.005904 0.000493 -0.006766 -0.021655 -0.011433 -0.002107 0.013539 2.187382 2.118661 0.536453 0.276193 2.442498 0.461434 2.000987 -0.000000 41 H 7.677083 3.655682 16.083309 0.106818 1.236318 0.88670283E+01 0.88974342E+02 1.866581 1.710177 -1.300519 2.256441 0.995523 3.635446 10.160688 0.493497 1.236902 -0.717749 0.028568 0.019007 -0.030509 0.045915 0.004030 -0.008487 -0.003172 0.000255 -0.006150 -0.009087 -0.001747 0.010834 1.947065 2.181454 0.260997 -0.362566 1.521790 -0.316441 2.137952 0.000000 42 H 7.032141 2.015253 19.683949 0.120447 1.176122 0.83787727E+01 0.81420456E+02 1.702897 1.588037 -0.893693 2.455928 0.998960 3.194312 8.286083 0.558446 1.128683 -0.747648 0.013164 -0.016226 0.037852 0.043235 0.000547 -0.001460 -0.011275 0.000853 0.036629 -0.011824 -0.005779 0.017603 1.764070 1.720580 -0.108081 0.382772 1.433816 -0.309783 2.137815 -0.000001 43 H 4.736149 1.957588 19.210181 0.133593 1.082988 0.76049813E+01 0.72035130E+02 1.601745 1.506319 -0.837402 2.490950 0.999424 3.070816 7.829913 0.577954 1.118837 -0.750300 -0.020397 -0.013245 0.029606 0.038314 0.003140 -0.002323 -0.011295 0.016349 0.027004 -0.017677 0.002833 0.014844 1.634604 1.872680 0.174931 -0.277632 1.341538 -0.215972 1.689595 -0.000001 44 H 2.661713 2.056226 18.641659 0.128713 1.109442 0.79376140E+01 0.76210872E+02 1.648760 1.555843 -0.829385 2.492786 0.999335 3.127782 8.104140 0.557836 1.143596 -0.744090 0.000446 -0.011722 0.034897 0.036816 0.002207 -0.001804 -0.011015 0.016099 0.029346 -0.017495 0.002709 0.014786 1.674435 1.644884 -0.052230 0.180325 1.365423 -0.276806 2.012999 -0.000001 45 H 0.465876 2.211012 17.917470 0.129630 1.152239 0.81192845E+01 0.79569320E+02 1.794208 1.649426 -0.887840 2.472187 0.998951 3.310765 9.097003 0.497393 1.256548 -0.716069 -0.031691 -0.011993 0.027513 0.043648 0.007919 -0.005461 -0.009103 0.013381 0.015616 -0.015070 -0.000841 0.015911 1.900646 2.441535 0.195660 -0.520456 1.466891 -0.176817 1.793511 0.000000 46 H 1.831635 3.601051 14.382255 0.106728 1.108380 0.80385524E+01 0.79382989E+02 1.796486 1.675938 -1.113268 2.349499 0.996735 3.644303 10.390577 0.473355 1.310296 -0.701457 -0.007428 0.013216 -0.045859 0.048300 -0.004857 0.002595 -0.003678 -0.002083 0.033730 -0.010593 -0.002159 0.012752 1.854357 1.743112 -0.025337 0.109670 1.485498 -0.354840 2.334462 0.000000 47 H 14.118913 4.444787 19.050002 0.037531 1.590991 0.12356473E+02 0.13291891E+03 2.126320 1.966996 -0.877725 2.433258 0.998569 3.720438 10.304803 0.484920 1.174205 -0.736960 0.044323 0.035553 -0.024880 0.062029 0.008579 -0.000493 -0.005904 0.006764 -0.021653 -0.011432 -0.002106 0.013539 2.187400 2.442514 0.536456 -0.461443 2.118678 -0.276200 2.001008 -0.000000 48 H 7.498017 11.519418 4.803109 0.106820 1.236314 0.88669896E+01 0.88973864E+02 1.866577 1.710174 -1.300521 2.256441 0.995523 3.635439 10.160666 0.493497 1.236902 -0.717748 -0.028568 -0.019007 -0.030509 0.045915 0.004030 0.008487 0.003172 0.000255 -0.006151 -0.009088 -0.001747 0.010834 1.947062 2.181450 0.260996 0.362565 1.521787 0.316440 2.137949 0.000000 49 H 8.142959 13.159847 8.403749 0.120446 1.176131 0.83788491E+01 0.81421398E+02 1.702907 1.588044 -0.893699 2.455924 0.998960 3.194326 8.286134 0.558444 1.128684 -0.747648 -0.013164 0.016226 0.037851 0.043235 0.000547 0.001460 0.011275 0.000853 0.036629 -0.011824 -0.005779 0.017603 1.764080 1.720590 -0.108082 -0.382776 1.433823 0.309785 2.137828 -0.000001 50 H 10.438951 13.217512 7.929981 0.133592 1.082996 0.76050564E+01 0.72036043E+02 1.601755 1.506328 -0.837407 2.490946 0.999424 3.070830 7.829968 0.577951 1.118840 -0.750299 0.020397 0.013245 0.029606 0.038314 0.003140 0.002323 0.011295 0.016349 0.027004 -0.017677 0.002833 0.014844 1.634615 1.872693 0.174932 0.277634 1.341545 0.215974 1.689606 -0.000001 51 H 12.513387 13.118874 7.361459 0.128712 1.109449 0.79376788E+01 0.76211667E+02 1.648768 1.555850 -0.829391 2.492782 0.999335 3.127794 8.104186 0.557834 1.143598 -0.744090 -0.000447 0.011722 0.034897 0.036816 0.002207 0.001804 0.011015 0.016099 0.029346 -0.017495 0.002710 0.014785 1.674444 1.644893 -0.052231 -0.180326 1.365429 0.276808 2.013010 -0.000001 52 H 14.709224 12.964088 6.637270 0.129630 1.152238 0.81192816E+01 0.79569287E+02 1.794207 1.649425 -0.887834 2.472190 0.998951 3.310766 9.097007 0.497392 1.256548 -0.716069 0.031691 0.011993 0.027513 0.043648 0.007919 0.005461 0.009103 0.013382 0.015616 -0.015070 -0.000841 0.015911 1.900646 2.441536 0.195659 0.520455 1.466891 0.176817 1.793511 0.000000 53 H 13.343465 11.574049 3.102055 0.106731 1.108361 0.80383728E+01 0.79380770E+02 1.796466 1.675921 -1.113255 2.349509 0.996735 3.644261 10.390427 0.473357 1.310298 -0.701456 0.007428 -0.013216 -0.045860 0.048301 -0.004857 -0.002596 0.003678 -0.002083 0.033729 -0.010593 -0.002159 0.012752 1.854338 1.743093 -0.025336 -0.109668 1.485483 0.354835 2.334436 0.000000 54 H 1.056187 10.730313 7.769802 0.037531 1.590988 0.12356454E+02 0.13291866E+03 2.126318 1.966995 -0.877721 2.433260 0.998569 3.720434 10.304791 0.484920 1.174205 -0.736960 -0.044323 -0.035553 -0.024881 0.062029 0.008579 0.000493 0.005904 0.006764 -0.021653 -0.011432 -0.002106 0.013539 2.187398 2.442510 0.536454 0.461442 2.118676 0.276200 2.001007 -0.000000 55 H 11.243232 15.085567 21.723409 0.106819 1.236316 0.88670028E+01 0.88974028E+02 1.866579 1.710175 -1.300517 2.256442 0.995523 3.635441 10.160673 0.493497 1.236903 -0.717748 0.019007 -0.028568 -0.030509 0.045915 -0.004031 -0.003172 0.008487 -0.000255 -0.006150 -0.009088 -0.001747 0.010834 1.947063 1.521788 -0.260996 -0.316440 2.181451 0.362566 2.137950 0.000000 56 H 9.602803 0.555409 2.763649 0.120446 1.176131 0.83788566E+01 0.81421488E+02 1.702907 1.588045 -0.893701 2.455923 0.998960 3.194327 8.286137 0.558444 1.128683 -0.747648 -0.016226 -0.013164 0.037851 0.043235 -0.000547 -0.011275 0.001460 -0.000853 0.036629 -0.011824 -0.005779 0.017603 1.764081 1.433823 0.108082 -0.309785 1.720591 -0.382776 2.137829 -0.000001 57 H 9.545138 2.851401 2.289881 0.133593 1.082994 0.76050438E+01 0.72035886E+02 1.601753 1.506326 -0.837407 2.490946 0.999424 3.070828 7.829958 0.577952 1.118838 -0.750300 -0.013245 0.020397 0.029606 0.038314 -0.003140 -0.011295 0.002323 -0.016349 0.027004 -0.017677 0.002833 0.014844 1.634612 1.341543 -0.174932 -0.215973 1.872690 0.277634 1.689603 -0.000001 58 H 9.643776 4.925837 1.721359 0.128712 1.109449 0.79376833E+01 0.76211718E+02 1.648768 1.555850 -0.829391 2.492782 0.999335 3.127795 8.104188 0.557834 1.143597 -0.744090 -0.011722 -0.000446 0.034897 0.036816 -0.002207 -0.011015 0.001804 -0.016099 0.029345 -0.017495 0.002709 0.014785 1.674444 1.365429 0.052231 -0.276808 1.644893 -0.180326 2.013011 -0.000001 59 H 9.798562 7.121674 0.997170 0.129630 1.152241 0.81192992E+01 0.79569512E+02 1.794210 1.649428 -0.887840 2.472187 0.998951 3.310770 9.097024 0.497392 1.256549 -0.716069 -0.011993 0.031691 0.027513 0.043648 -0.007919 -0.009103 0.005461 -0.013382 0.015617 -0.015070 -0.000841 0.015911 1.900649 1.466893 -0.195660 -0.176817 2.441540 0.520457 1.793514 0.000000 60 H 11.188601 5.755915 20.022355 0.106728 1.108377 0.80385246E+01 0.79382660E+02 1.796484 1.675937 -1.113269 2.349499 0.996735 3.644298 10.390565 0.473355 1.310298 -0.701456 0.013216 0.007428 -0.045859 0.048300 0.004857 -0.003678 -0.002595 0.002083 0.033730 -0.010593 -0.002159 0.012752 1.854356 1.485497 0.025337 -0.354840 1.743110 -0.109671 2.334461 0.000000 61 H 12.032337 8.643737 2.129702 0.037532 1.590992 0.12356486E+02 0.13291911E+03 2.126323 1.966999 -0.877727 2.433258 0.998569 3.720438 10.304814 0.484919 1.174207 -0.736959 0.035553 -0.044323 -0.024881 0.062029 -0.008579 -0.005904 0.000493 -0.006763 -0.021654 -0.011432 -0.002106 0.013539 2.187404 2.118681 -0.536456 -0.276201 2.442517 0.461444 2.001013 -0.000000 62 H 3.931868 0.089533 10.443209 0.106819 1.236317 0.88670151E+01 0.88974178E+02 1.866579 1.710175 -1.300522 2.256440 0.995523 3.635444 10.160681 0.493497 1.236902 -0.717749 -0.019007 0.028568 -0.030509 0.045915 -0.004030 0.003172 -0.008487 -0.000255 -0.006150 -0.009087 -0.001747 0.010834 1.947064 1.521788 -0.260997 0.316441 2.181452 -0.362566 2.137951 0.000000 63 H 5.572297 14.619691 14.043849 0.120447 1.176121 0.83787663E+01 0.81420380E+02 1.702897 1.588036 -0.893691 2.455929 0.998960 3.194311 8.286080 0.558446 1.128683 -0.747648 0.016226 0.013164 0.037852 0.043235 -0.000547 0.011275 -0.001460 -0.000853 0.036629 -0.011824 -0.005779 0.017603 1.764069 1.433815 0.108081 0.309783 1.720579 0.382772 2.137814 -0.000001 64 H 5.629962 12.323699 13.570081 0.133593 1.082989 0.76049924E+01 0.72035270E+02 1.601747 1.506321 -0.837401 2.490950 0.999424 3.070818 7.829923 0.577953 1.118838 -0.750300 0.013245 -0.020397 0.029606 0.038314 -0.003140 0.011295 -0.002323 -0.016349 0.027004 -0.017677 0.002833 0.014844 1.634606 1.341539 -0.174931 0.215973 1.872682 -0.277633 1.689597 -0.000001 65 H 5.531324 10.249263 13.001559 0.128713 1.109441 0.79376110E+01 0.76210844E+02 1.648760 1.555843 -0.829386 2.492786 0.999335 3.127781 8.104140 0.557835 1.143597 -0.744090 0.011722 0.000447 0.034898 0.036816 -0.002207 0.011015 -0.001804 -0.016099 0.029346 -0.017495 0.002709 0.014786 1.674436 1.365423 0.052230 0.276806 1.644885 0.180325 2.012999 -0.000001 66 H 5.376538 8.053426 12.277370 0.129630 1.152237 0.81192669E+01 0.79569097E+02 1.794205 1.649423 -0.887834 2.472190 0.998951 3.310761 9.096987 0.497393 1.256547 -0.716069 0.011993 -0.031691 0.027513 0.043648 -0.007919 0.009103 -0.005461 -0.013382 0.015616 -0.015070 -0.000840 0.015911 1.900643 1.466889 -0.195659 0.176816 2.441531 -0.520454 1.793508 0.000000 67 H 3.986499 9.419185 8.742155 0.106730 1.108363 0.80383941E+01 0.79381024E+02 1.796468 1.675922 -1.113254 2.349508 0.996735 3.644265 10.390438 0.473357 1.310297 -0.701457 -0.013215 -0.007428 -0.045860 0.048301 0.004857 0.003678 0.002596 0.002083 0.033730 -0.010593 -0.002159 0.012752 1.854339 1.485485 0.025336 0.354835 1.743095 0.109667 2.334437 0.000000 68 H 3.142763 6.531363 13.409902 0.037531 1.590987 0.12356442E+02 0.13291847E+03 2.126316 1.966993 -0.877719 2.433261 0.998569 3.720433 10.304781 0.484921 1.174204 -0.736960 -0.035553 0.044323 -0.024880 0.062029 -0.008579 0.005904 -0.000493 -0.006764 -0.021652 -0.011432 -0.002106 0.013538 2.187395 2.118673 -0.536454 0.276199 2.442508 -0.461441 2.001004 -0.000000 69 C 0.508366 10.885099 0.189507 0.101621 30.227352 0.31545228E+03 0.68626466E+04 8.526806 5.983218 0.148736 2.070414 0.999688 25.548074 71.256610 0.661578 0.425566 -1.055679 0.053028 -0.000534 -0.000100 0.053031 0.004712 -0.024582 -0.041257 -0.104432 -0.087848 -0.063258 -0.020304 0.083562 10.951963 17.061257 -0.433827 3.756320 5.053231 1.759821 10.741401 0.000001 70 C -0.016693 10.435916 21.549694 -0.064925 40.807406 0.43259511E+03 0.10037853E+05 10.190810 6.828308 0.098868 2.035392 0.999345 26.989514 74.153304 0.653087 0.404181 -1.084964 0.027560 -0.007408 -0.006087 0.029180 0.008750 -0.005473 -0.002809 -0.044174 0.015611 -0.027094 0.005062 0.022032 14.023158 24.452141 -0.847831 4.795738 5.945978 1.829039 11.671355 0.000001 71 C 0.875603 9.926033 20.631486 -0.036769 31.715219 0.38047893E+03 0.86316921E+04 8.687051 6.486663 0.074561 2.009919 0.999632 27.658961 77.519357 0.651025 0.414709 -1.067775 0.015823 0.002709 0.012448 0.020314 0.009516 -0.001013 -0.007891 -0.050952 0.013018 -0.029370 0.001645 0.027726 10.435876 16.619735 -0.690765 2.076160 5.291603 1.765387 9.396290 -0.000001 72 C 2.230740 9.875955 20.908979 -0.170511 35.135259 0.41664144E+03 0.96462428E+04 9.206098 6.728251 0.258446 2.056864 0.999771 28.890216 81.167799 0.649288 0.407449 -1.075041 -0.025583 -0.000365 -0.017693 0.031107 -0.004707 -0.018719 0.009153 -0.012952 0.023488 -0.022132 -0.002232 0.024364 11.241008 17.300124 -0.064188 3.380865 5.483396 2.028117 10.939505 -0.000002 73 C 2.655643 10.326656 22.152057 0.175621 37.300863 0.37194144E+03 0.83895041E+04 9.913556 6.534139 -0.073677 1.998003 0.999347 25.495174 71.228069 0.630828 0.430461 -1.057966 -0.044525 0.021196 0.027513 0.056468 0.004710 -0.008742 -0.021349 -0.027342 -0.046369 -0.027024 -0.005795 0.032819 13.695539 23.598837 -0.140257 4.222777 5.740917 2.011154 11.746863 -0.000000 74 C 4.076032 10.325138 -0.022560 0.161246 38.074968 0.37985489E+03 0.86112021E+04 10.033545 6.592722 -0.062703 1.999364 0.999380 25.705880 71.942652 0.629676 0.429085 -1.059061 0.023608 0.018718 0.040962 0.050849 0.009126 0.011782 -0.013575 -0.039342 -0.011024 -0.028891 0.001125 0.027765 13.927626 25.325615 -0.537213 1.458827 5.701337 1.805742 10.755926 -0.000000 75 C 5.112491 9.960936 21.714385 -0.160627 35.276039 0.40565987E+03 0.93511499E+04 9.285472 6.664712 0.257295 2.059069 0.999786 28.780799 81.298021 0.647100 0.410612 -1.070478 0.033248 0.008864 0.003655 0.034603 0.003489 -0.003314 0.006497 -0.037368 0.062000 -0.029649 0.006134 0.023514 11.588061 20.176291 -0.547459 -0.129974 5.378272 1.693375 9.209621 -0.000002 76 C 6.408445 10.048951 22.138521 -0.039025 32.069821 0.38692008E+03 0.88325639E+04 8.819386 6.570857 0.134491 2.032082 0.999696 27.738330 78.500265 0.641190 0.418460 -1.063223 -0.019591 0.012416 0.000437 0.023198 -0.005490 -0.010637 -0.011348 -0.048318 -0.016186 -0.028621 -0.001913 0.030534 10.691305 17.736750 0.051141 0.553864 5.268848 1.792990 9.068318 -0.000000 77 C 6.670974 10.510274 0.864063 -0.061160 39.937085 0.44069750E+03 0.10278459E+05 10.050647 6.897603 0.075381 2.024931 0.999301 27.166995 74.952894 0.648682 0.404843 -1.083987 -0.022689 -0.004808 -0.019949 0.030592 -0.005140 -0.006971 -0.019346 -0.035534 0.025541 -0.026232 -0.004298 0.030530 13.482629 24.320522 1.065167 0.328375 5.918066 2.054117 10.209299 0.000000 78 C 5.584437 10.880547 1.655933 0.091022 30.220251 0.33803401E+03 0.74862406E+04 8.561745 6.216284 0.158632 2.068944 0.999670 26.062974 73.475667 0.645164 0.428679 -1.053178 -0.048605 -0.002786 -0.022524 0.053642 0.015831 0.006922 -0.034657 -0.104152 0.002608 -0.057789 -0.012427 0.070216 10.747448 18.009573 -0.235296 -0.811697 5.027329 1.703126 9.205441 0.000001 79 C 13.677318 10.551247 21.269043 0.607570 24.763887 0.24456731E+03 0.50246736E+04 7.813032 5.531311 0.068683 2.085359 0.999567 21.907968 60.637736 0.635488 0.469125 -1.023685 -0.057181 0.004030 -0.016585 0.059674 0.015051 -0.005457 -0.049258 -0.136543 -0.082460 -0.056168 -0.046375 0.102543 9.939599 15.441526 -0.676768 1.936170 4.937593 1.574425 9.439679 0.000000 80 C 8.083776 10.801636 1.303991 0.596358 25.101162 0.25088421E+03 0.51858332E+04 7.852912 5.587347 0.056267 2.076901 0.999592 22.127785 61.370876 0.635026 0.466626 -1.025366 0.058900 0.013586 0.013800 0.062002 -0.043243 0.002330 -0.003111 -0.147679 -0.144125 -0.061700 -0.047973 0.109673 9.812957 14.689422 1.529100 0.269956 4.566368 0.716855 10.183080 0.000000 81 C 9.287161 11.467823 20.017843 0.483069 18.752864 0.23272503E+03 0.47575636E+04 6.414559 5.341549 0.153166 2.092868 0.999437 23.374989 66.119441 0.651691 0.459751 -1.021261 0.055425 -0.026840 0.002866 0.061648 0.045194 -0.046089 -0.076347 -0.101489 -0.099865 -0.085809 -0.045861 0.131670 6.807895 7.952200 -1.306895 0.447957 5.187403 1.199805 7.284083 0.000000 82 C 14.666734 4.290001 11.469707 0.101630 30.227186 0.31544760E+03 0.68625143E+04 8.526772 5.983169 0.148672 2.070396 0.999688 25.547793 71.255502 0.661582 0.425566 -1.055680 -0.053033 0.000535 -0.000099 0.053036 0.004711 0.024576 0.041255 -0.104407 -0.087852 -0.063247 -0.020303 0.083550 10.951990 17.061340 -0.433749 -3.756562 5.053206 -1.759809 10.741423 0.000001 83 C 0.016693 4.739184 10.269494 -0.064928 40.807367 0.43259212E+03 0.10037758E+05 10.190783 6.828270 0.098894 2.035401 0.999345 26.989415 74.152735 0.653091 0.404179 -1.084966 -0.027556 0.007408 -0.006089 0.029177 0.008749 0.005476 0.002809 -0.044178 0.015616 -0.027097 0.005064 0.022033 14.023181 24.452199 -0.847769 -4.795869 5.945967 -1.829038 11.671375 0.000001 84 C 14.299497 5.249067 9.351286 -0.036761 31.714695 0.38047144E+03 0.86314696E+04 8.686934 6.486586 0.074603 2.009937 0.999632 27.658615 77.517857 0.651031 0.414707 -1.067777 -0.015822 -0.002710 0.012445 0.020312 0.009516 0.001014 0.007896 -0.050956 0.013009 -0.029370 0.001639 0.027731 10.435734 16.619466 -0.690741 -2.076133 5.291543 -1.765368 9.396192 -0.000001 85 C 12.944360 5.299145 9.628779 -0.170507 35.134875 0.41663526E+03 0.96460561E+04 9.206015 6.728193 0.258458 2.056871 0.999771 28.889959 81.166678 0.649292 0.407448 -1.075042 0.025580 0.000366 -0.017697 0.031107 -0.004705 0.018715 -0.009149 -0.012954 0.023482 -0.022129 -0.002229 0.024358 11.240904 17.299844 -0.064172 -3.380828 5.483365 -2.028131 10.939502 -0.000002 86 C 12.519458 4.848444 10.871857 0.175617 37.300702 0.37194173E+03 0.83895047E+04 9.913492 6.534120 -0.073614 1.998020 0.999346 25.495159 71.227788 0.630833 0.430458 -1.057969 0.044528 -0.021193 0.027509 0.056468 0.004702 0.008753 0.021347 -0.027328 -0.046363 -0.027028 -0.005782 0.032811 13.695393 23.598266 -0.140256 -4.222636 5.740905 -2.011235 11.747007 -0.000000 87 C 11.099068 4.849962 11.257640 0.161213 38.075531 0.37986466E+03 0.86114694E+04 10.033591 6.592777 -0.062375 1.999463 0.999379 25.706194 71.943462 0.629678 0.429081 -1.059064 -0.023610 -0.018709 0.040945 0.050833 0.009129 -0.011786 0.013571 -0.039330 -0.011003 -0.028892 0.001136 0.027756 13.927650 25.325616 -0.537290 -1.458545 5.701367 -1.805775 10.755965 -0.000000 88 C 10.062609 5.214164 10.434185 -0.160622 35.275903 0.40565786E+03 0.93510912E+04 9.285450 6.664700 0.257300 2.059071 0.999786 28.780706 81.297676 0.647100 0.410613 -1.070478 -0.033248 -0.008862 0.003652 0.034602 0.003490 0.003314 -0.006492 -0.037369 0.061983 -0.029646 0.006140 0.023507 11.588026 20.176230 -0.547483 0.130051 5.378265 -1.693369 9.209584 -0.000002 89 C 8.766655 5.126149 10.858321 -0.039022 32.069628 0.38691761E+03 0.88324912E+04 8.819347 6.570836 0.134500 2.032087 0.999696 27.738216 78.499807 0.641191 0.418460 -1.063224 0.019590 -0.012415 0.000436 0.023197 -0.005489 0.010634 0.011350 -0.048326 -0.016187 -0.028620 -0.001918 0.030539 10.691246 17.736660 0.051126 -0.553828 5.268827 -1.792976 9.068253 -0.000000 90 C 8.504126 4.664826 12.144263 -0.061156 39.936830 0.44069426E+03 0.10278362E+05 10.050599 6.897576 0.075393 2.024935 0.999301 27.166900 74.952508 0.648683 0.404843 -1.083988 0.022686 0.004809 -0.019947 0.030588 -0.005140 0.006972 0.019348 -0.035550 0.025551 -0.026240 -0.004297 0.030536 13.482561 24.320427 1.065143 -0.328343 5.918042 -2.054097 10.209215 0.000000 91 C 9.590663 4.294553 12.936133 0.091003 30.220863 0.33804071E+03 0.74864212E+04 8.561839 6.216333 0.158661 2.068949 0.999670 26.063173 73.476224 0.645164 0.428678 -1.053180 0.048588 0.002787 -0.022520 0.053626 0.015834 -0.006930 0.034656 -0.104150 0.002612 -0.057793 -0.012421 0.070214 10.747596 18.009982 -0.235306 0.811691 5.027375 -1.703116 9.205429 0.000001 92 C 1.497782 4.623853 9.988843 0.607566 24.763742 0.24456655E+03 0.50246515E+04 7.813000 5.531298 0.068783 2.085393 0.999567 21.907879 60.637349 0.635490 0.469125 -1.023686 0.057180 -0.004032 -0.016586 0.059673 0.015050 0.005455 0.049260 -0.136539 -0.082455 -0.056167 -0.046375 0.102542 9.939583 15.441615 -0.676719 -1.936293 4.937563 -1.574401 9.439571 0.000000 93 C 7.091324 4.373464 12.584191 0.596358 25.101105 0.25088360E+03 0.51858160E+04 7.852895 5.587337 0.056276 2.076904 0.999592 22.127742 61.370680 0.635027 0.466626 -1.025367 -0.058899 -0.013587 0.013799 0.062001 -0.043242 -0.002329 0.003111 -0.147678 -0.144129 -0.061699 -0.047975 0.109673 9.812931 14.689397 1.529089 -0.269938 4.566356 -0.716851 10.183039 0.000000 94 C 5.887939 3.707277 8.737643 0.483063 18.752963 0.23272585E+03 0.47575817E+04 6.414582 5.341560 0.153248 2.092898 0.999437 23.374933 66.119175 0.651691 0.459751 -1.021262 -0.055427 0.026833 0.002866 0.061648 0.045195 0.046093 0.076348 -0.101484 -0.099858 -0.085810 -0.045861 0.131671 6.807930 7.952330 -1.306951 -0.448026 5.187418 -1.199745 7.284041 0.000000 95 C 11.877551 8.095916 17.109807 0.101629 30.227231 0.31544820E+03 0.68625318E+04 8.526784 5.983176 0.148667 2.070394 0.999688 25.547825 71.255654 0.661581 0.425566 -1.055680 0.000536 0.053033 -0.000099 0.053036 -0.004711 0.041255 -0.024576 0.104408 -0.087853 -0.063247 -0.020303 0.083550 10.951998 5.053212 0.433753 -1.759816 17.061328 3.756558 10.741453 0.000001 96 C 12.326734 7.570857 15.909594 -0.064926 40.807385 0.43259327E+03 0.10037795E+05 10.190799 6.828289 0.098880 2.035397 0.999345 26.989446 74.152967 0.653089 0.404180 -1.084965 0.007409 0.027556 -0.006089 0.029177 -0.008750 0.002809 -0.005476 0.044180 0.015615 -0.027098 0.005063 0.022035 14.023173 5.945978 0.847785 -1.829052 24.452112 4.795858 11.671429 0.000001 97 C 12.836617 8.463153 14.991386 -0.036764 31.714929 0.38047491E+03 0.86315738E+04 8.686988 6.486623 0.074578 2.009927 0.999632 27.658786 77.518622 0.651028 0.414708 -1.067776 -0.002708 0.015822 0.012446 0.020312 -0.009516 0.007895 -0.001015 0.050955 0.013007 -0.029370 0.001639 0.027730 10.435788 5.291573 0.690739 -1.765388 16.619525 2.076171 9.396267 -0.000001 98 C 12.886695 9.818290 15.268879 -0.170509 35.135053 0.41663762E+03 0.96461272E+04 9.206052 6.728215 0.258453 2.056868 0.999771 28.890055 81.167096 0.649291 0.407448 -1.075042 0.000367 -0.025580 -0.017696 0.031107 0.004705 -0.009149 -0.018716 0.012953 0.023482 -0.022130 -0.002229 0.024359 11.240945 5.483381 0.064168 -2.028138 17.299915 3.380863 10.939539 -0.000002 99 C 12.435994 10.243193 16.511957 0.175617 37.300764 0.37194216E+03 0.83895174E+04 9.913505 6.534124 -0.073615 1.998019 0.999346 25.495177 71.227869 0.630832 0.430458 -1.057969 -0.021192 -0.044528 0.027509 0.056468 -0.004702 0.021347 -0.008753 0.027327 -0.046363 -0.027028 -0.005782 0.032810 13.695405 5.740908 0.140251 -2.011238 23.598290 4.222656 11.747019 -0.000000 100 C 12.437512 11.663582 16.897740 0.161213 38.075557 0.37986467E+03 0.86114707E+04 10.033599 6.592778 -0.062377 1.999462 0.999379 25.706203 71.943519 0.629678 0.429081 -1.059064 -0.018708 0.023610 0.040945 0.050833 -0.009129 0.013571 0.011786 0.039331 -0.011004 -0.028892 0.001136 0.027756 13.927656 5.701369 0.537288 -1.805778 25.325628 1.458554 10.755972 -0.000000 101 C 12.801714 12.700041 16.074285 -0.160624 35.276021 0.40565934E+03 0.93511355E+04 9.285474 6.664714 0.257295 2.059069 0.999786 28.780772 81.297956 0.647099 0.410613 -1.070478 -0.008862 0.033247 0.003653 0.034601 -0.003490 -0.006493 -0.003314 0.037368 0.061983 -0.029646 0.006139 0.023507 11.588054 5.378276 0.547482 -1.693373 20.176283 -0.130050 9.209603 -0.000002 102 C 12.713699 13.995995 16.498421 -0.039023 32.069686 0.38691831E+03 0.88325122E+04 8.819361 6.570843 0.134499 2.032086 0.999696 27.738245 78.499944 0.641190 0.418460 -1.063224 -0.012415 -0.019589 0.000436 0.023196 0.005489 0.011350 -0.010634 0.048325 -0.016189 -0.028620 -0.001918 0.030538 10.691263 5.268834 -0.051130 -1.792979 17.736686 0.553828 9.068268 -0.000000 103 C 12.252376 14.258524 17.784363 -0.061156 39.936849 0.44069438E+03 0.10278366E+05 10.050604 6.897577 0.075392 2.024935 0.999301 27.166904 74.952535 0.648683 0.404843 -1.083988 0.004809 -0.022686 -0.019947 0.030588 0.005140 0.019348 -0.006972 0.035550 0.025551 -0.026240 -0.004297 0.030536 13.482567 5.918045 -1.065149 -2.054101 24.320429 0.328355 10.209226 0.000000 104 C 11.882103 13.171987 18.576233 0.091002 30.220870 0.33804084E+03 0.74864250E+04 8.561841 6.216335 0.158660 2.068949 0.999670 26.063179 73.476253 0.645164 0.428678 -1.053180 0.002788 -0.048589 -0.022520 0.053626 -0.015834 0.034656 0.006930 0.104150 0.002612 -0.057793 -0.012421 0.070214 10.747597 5.027376 0.235304 -1.703117 18.009979 -0.811686 9.205435 0.000001 105 C 12.211403 6.089768 15.628943 0.607569 24.763887 0.24456716E+03 0.50246690E+04 7.813030 5.531308 0.068688 2.085361 0.999567 21.907950 60.637646 0.635489 0.469125 -1.023685 -0.004029 -0.057180 -0.016585 0.059673 -0.015050 0.049259 -0.005457 0.136541 -0.082462 -0.056167 -0.046376 0.102543 9.939605 4.937594 0.676755 -1.574428 15.441526 1.936209 9.439694 0.000000 106 C 11.961014 0.496226 18.224291 0.596358 25.101135 0.25088391E+03 0.51858243E+04 7.852903 5.587342 0.056274 2.076904 0.999592 22.127755 61.370738 0.635027 0.466626 -1.025367 -0.013586 0.058899 0.013799 0.062001 0.043242 0.003111 0.002330 0.147678 -0.144129 -0.061699 -0.047974 0.109673 9.812945 4.566363 -1.529095 -0.716850 14.689419 0.269949 10.183054 0.000000 107 C 11.294827 1.699611 14.377743 0.483069 18.752866 0.23272507E+03 0.47575641E+04 6.414559 5.341549 0.153166 2.092868 0.999437 23.374986 66.119417 0.651692 0.459751 -1.021261 0.026840 0.055425 0.002866 0.061648 -0.045193 0.076347 -0.046089 0.101490 -0.099865 -0.085808 -0.045862 0.131670 6.807894 5.187403 1.306895 -1.199804 7.952200 0.447958 7.284080 0.000000 108 C 3.297549 7.079184 5.829607 0.101622 30.227309 0.31545169E+03 0.68626295E+04 8.526796 5.983211 0.148740 2.070415 0.999688 25.548042 71.256461 0.661578 0.425566 -1.055679 -0.000533 -0.053028 -0.000101 0.053031 -0.004712 -0.041257 0.024582 0.104431 -0.087847 -0.063258 -0.020304 0.083562 10.951956 5.053225 0.433822 1.759813 17.061271 -3.756325 10.741372 0.000001 109 C 2.848366 7.604243 4.629394 -0.064928 40.807389 0.43259396E+03 0.10037815E+05 10.190795 6.828290 0.098882 2.035396 0.999345 26.989483 74.153075 0.653089 0.404180 -1.084966 -0.007406 -0.027560 -0.006087 0.029180 -0.008749 -0.002809 0.005473 0.044172 0.015612 -0.027093 0.005062 0.022031 14.023167 5.945968 0.847816 1.829025 24.452232 -4.795750 11.671302 0.000001 110 C 2.338483 6.711947 3.711186 -0.036765 31.714985 0.38047547E+03 0.86315881E+04 8.686997 6.486627 0.074586 2.009929 0.999632 27.658789 77.518593 0.651028 0.414708 -1.067776 0.002711 -0.015823 0.012447 0.020314 -0.009516 -0.007892 0.001012 0.050953 0.013020 -0.029371 0.001645 0.027726 10.435822 5.291573 0.690767 1.765367 16.619678 -2.076122 9.396215 -0.000001 111 C 2.288405 5.356810 3.988679 -0.170509 35.135079 0.41663905E+03 0.96461706E+04 9.206060 6.728228 0.258451 2.056866 0.999771 28.890119 81.167376 0.649290 0.407448 -1.075041 -0.000364 0.025583 -0.017694 0.031108 0.004706 0.009152 0.018718 0.012953 0.023488 -0.022132 -0.002232 0.024364 11.240966 5.483380 0.064193 2.028110 17.300052 -3.380830 10.939467 -0.000002 112 C 2.739106 4.931908 5.231757 0.175622 37.300801 0.37194101E+03 0.83894915E+04 9.913544 6.534135 -0.073676 1.998004 0.999347 25.495156 71.227987 0.630828 0.430461 -1.057966 0.021196 0.044524 0.027513 0.056468 -0.004710 -0.021349 0.008743 0.027342 -0.046369 -0.027024 -0.005795 0.032819 13.695525 5.740913 0.140262 2.011151 23.598812 -4.222757 11.746851 -0.000000 113 C 2.737588 3.511518 5.617540 0.161246 38.074942 0.37985488E+03 0.86112010E+04 10.033538 6.592721 -0.062701 1.999364 0.999380 25.705871 71.942597 0.629676 0.429085 -1.059061 0.018719 -0.023608 0.040962 0.050849 -0.009126 -0.013575 -0.011782 0.039342 -0.011024 -0.028891 0.001125 0.027765 13.927620 5.701335 0.537215 1.805739 25.325605 -1.458818 10.755920 -0.000000 114 C 2.373386 2.475059 4.794085 -0.160625 35.275921 0.40565839E+03 0.93511057E+04 9.285448 6.664698 0.257300 2.059071 0.999786 28.780733 81.297740 0.647101 0.410612 -1.070479 0.008864 -0.033249 0.003654 0.034604 -0.003489 0.006497 0.003314 0.037369 0.062000 -0.029649 0.006135 0.023514 11.588034 5.378262 0.547460 1.693370 20.176238 0.129976 9.209602 -0.000002 115 C 2.461401 1.179105 5.218221 -0.039025 32.069763 0.38691939E+03 0.88325429E+04 8.819373 6.570850 0.134492 2.032083 0.999696 27.738301 78.500129 0.641190 0.418460 -1.063224 0.012417 0.019591 0.000437 0.023198 0.005490 -0.011348 0.010637 0.048320 -0.016185 -0.028621 -0.001913 0.030534 10.691289 5.268841 -0.051137 1.792987 17.736724 -0.553864 9.068303 -0.000000 116 C 2.922724 0.916576 6.504163 -0.061161 39.937064 0.44069736E+03 0.10278454E+05 10.050642 6.897601 0.075382 2.024931 0.999301 27.166991 74.952864 0.648682 0.404843 -1.083988 -0.004808 0.022689 -0.019949 0.030592 0.005140 -0.019347 0.006971 0.035534 0.025542 -0.026232 -0.004298 0.030530 13.482623 5.918063 -1.065160 2.054114 24.320519 -0.328363 10.209287 0.000000 117 C 3.292997 2.003113 7.296033 0.091022 30.220244 0.33803388E+03 0.74862369E+04 8.561743 6.216283 0.158632 2.068944 0.999670 26.062968 73.475639 0.645164 0.428679 -1.053178 -0.002785 0.048605 -0.022524 0.053642 -0.015831 -0.034657 -0.006922 0.104152 0.002608 -0.057789 -0.012427 0.070216 10.747447 5.027328 0.235298 1.703124 18.009577 0.811702 9.205436 0.000001 118 C 2.963697 9.085332 4.348743 0.607567 24.763743 0.24456670E+03 0.50246562E+04 7.813003 5.531301 0.068777 2.085391 0.999567 21.907897 60.637440 0.635490 0.469125 -1.023685 0.004033 0.057181 -0.016586 0.059674 -0.015050 -0.049259 0.005455 0.136541 -0.082452 -0.056168 -0.046374 0.102542 9.939578 4.937563 0.676732 1.574398 15.441617 -1.936254 9.439556 0.000000 119 C 3.214086 14.678874 6.944091 0.596359 25.101130 0.25088389E+03 0.51858246E+04 7.852903 5.587342 0.056269 2.076902 0.999592 22.127771 61.370817 0.635027 0.466626 -1.025367 0.013587 -0.058900 0.013799 0.062002 0.043243 -0.003111 -0.002329 0.147679 -0.144126 -0.061700 -0.047973 0.109674 9.812943 4.566362 -1.529093 0.716855 14.689401 -0.269946 10.183066 0.000000 120 C 3.880273 13.475489 3.097543 0.483063 18.752958 0.23272579E+03 0.47575806E+04 6.414583 5.341560 0.153247 2.092898 0.999437 23.374935 66.119200 0.651691 0.459751 -1.021262 -0.026834 -0.055427 0.002866 0.061647 -0.045196 -0.076348 0.046093 0.101484 -0.099858 -0.085810 -0.045861 0.131671 6.807931 5.187418 1.306951 1.199745 7.952331 -0.448025 7.284044 0.000000 121 C 7.079184 3.297549 16.730793 0.101628 30.227288 0.31544885E+03 0.68625494E+04 8.526792 5.983181 0.148667 2.070393 0.999688 25.547861 71.255764 0.661581 0.425566 -1.055680 -0.053033 -0.000535 0.000099 0.053036 -0.004711 -0.024576 0.041255 -0.104407 -0.087854 -0.063247 -0.020302 0.083550 10.952011 17.061356 0.433753 3.756569 5.053216 -1.759816 10.741461 0.000001 122 C 7.604243 2.848366 17.931006 -0.064924 40.807287 0.43259232E+03 0.10037767E+05 10.190781 6.828280 0.098881 2.035398 0.999345 26.989412 74.152830 0.653089 0.404180 -1.084965 -0.027556 -0.007408 0.006089 0.029177 -0.008750 -0.005476 0.002810 -0.044182 0.015615 -0.027099 0.005063 0.022035 14.023145 24.452055 0.847779 4.795857 5.945968 -1.829047 11.671413 0.000001 123 C 6.711947 2.338483 18.849214 -0.036761 31.714736 0.38047265E+03 0.86315072E+04 8.686949 6.486602 0.074585 2.009931 0.999632 27.658678 77.518179 0.651029 0.414708 -1.067776 -0.015822 0.002709 -0.012445 0.020312 -0.009516 -0.001016 0.007895 -0.050957 0.013005 -0.029370 0.001638 0.027732 10.435734 16.619421 0.690736 2.076154 5.291553 -1.765379 9.396227 -0.000001 124 C 5.356810 2.288405 18.571721 -0.170506 35.134841 0.41663521E+03 0.96460543E+04 9.206008 6.728192 0.258460 2.056871 0.999771 28.889958 81.166669 0.649292 0.407448 -1.075042 0.025580 -0.000366 0.017697 0.031107 0.004705 -0.018715 -0.009149 -0.012955 0.023482 -0.022130 -0.002228 0.024359 11.240881 17.299792 0.064169 3.380835 5.483359 -2.028129 10.939492 -0.000002 125 C 4.931908 2.739106 17.328643 0.175615 37.300729 0.37194220E+03 0.83895173E+04 9.913493 6.534122 -0.073613 1.998020 0.999346 25.495182 71.227843 0.630833 0.430457 -1.057969 0.044529 0.021194 -0.027508 0.056468 -0.004702 -0.008753 0.021346 -0.027326 -0.046363 -0.027028 -0.005781 0.032809 13.695379 23.598231 0.140255 4.222641 5.740902 -2.011235 11.747005 -0.000000 126 C 3.511518 2.737588 16.942860 0.161213 38.075501 0.37986450E+03 0.86114645E+04 10.033585 6.592774 -0.062376 1.999462 0.999379 25.706190 71.943438 0.629678 0.429081 -1.059064 -0.023610 0.018710 -0.040945 0.050833 -0.009129 0.011786 0.013571 -0.039331 -0.011002 -0.028892 0.001136 0.027756 13.927627 25.325567 0.537288 1.458550 5.701362 -1.805773 10.755953 -0.000000 127 C 2.475059 2.373386 17.766315 -0.160622 35.275832 0.40565729E+03 0.93510740E+04 9.285437 6.664695 0.257302 2.059072 0.999786 28.780677 81.297557 0.647100 0.410613 -1.070478 -0.033248 0.008863 -0.003652 0.034602 -0.003490 -0.003314 -0.006492 -0.037370 0.061982 -0.029646 0.006140 0.023506 11.587997 20.176167 0.547482 -0.130054 5.378258 -1.693365 9.209566 -0.000002 128 C 1.179105 2.461401 17.342179 -0.039020 32.069539 0.38691659E+03 0.88324620E+04 8.819332 6.570828 0.134503 2.032089 0.999696 27.738167 78.499640 0.641191 0.418460 -1.063224 0.019589 0.012415 -0.000436 0.023196 0.005489 -0.010634 0.011350 -0.048326 -0.016189 -0.028620 -0.001919 0.030539 10.691218 17.736595 -0.051126 0.553819 5.268820 -1.792973 9.068241 -0.000000 129 C 0.916576 2.922724 16.056237 -0.061156 39.936878 0.44069482E+03 0.10278379E+05 10.050609 6.897581 0.075390 2.024934 0.999301 27.166918 74.952590 0.648683 0.404843 -1.083988 0.022685 -0.004808 0.019947 0.030588 0.005140 -0.006972 0.019348 -0.035549 0.025551 -0.026239 -0.004296 0.030536 13.482569 24.320436 -1.065145 0.328342 5.918047 -2.054099 10.209225 0.000000 130 C 2.003113 3.292997 15.264367 0.091000 30.220964 0.33804205E+03 0.74864585E+04 8.561855 6.216343 0.158660 2.068948 0.999670 26.063246 73.476476 0.645164 0.428677 -1.053180 0.048588 -0.002787 0.022521 0.053626 -0.015834 0.006931 0.034655 -0.104149 0.002614 -0.057793 -0.012420 0.070213 10.747613 18.010014 0.235306 -0.811692 5.027383 -1.703118 9.205443 0.000001 131 C 9.085332 2.963697 18.211657 0.607569 24.763880 0.24456714E+03 0.50246684E+04 7.813027 5.531307 0.068689 2.085362 0.999567 21.907945 60.637619 0.635489 0.469125 -1.023685 0.057180 0.004030 0.016585 0.059673 -0.015050 -0.005457 0.049259 -0.136541 -0.082464 -0.056166 -0.046377 0.102543 9.939600 15.441511 0.676752 1.936213 4.937592 -1.574427 9.439698 0.000000 132 C 14.678874 3.214086 15.616309 0.596358 25.101114 0.25088373E+03 0.51858200E+04 7.852899 5.587340 0.056273 2.076904 0.999592 22.127755 61.370748 0.635027 0.466626 -1.025367 -0.058899 0.013586 -0.013799 0.062001 0.043242 0.002330 0.003111 -0.147678 -0.144129 -0.061699 -0.047974 0.109674 9.812936 14.689402 -1.529092 0.269941 4.566361 -0.716848 10.183046 0.000000 133 C 13.475489 3.880273 19.462857 0.483068 18.752866 0.23272510E+03 0.47575641E+04 6.414555 5.341547 0.153170 2.092870 0.999437 23.374974 66.119337 0.651692 0.459750 -1.021262 -0.055426 -0.026838 -0.002865 0.061648 -0.045193 -0.046089 0.076348 -0.101490 -0.099865 -0.085809 -0.045861 0.131670 6.807890 7.952192 1.306893 0.447957 5.187400 -1.199803 7.284077 0.000000 134 C 8.095916 11.877551 5.450593 0.101630 30.227225 0.31544799E+03 0.68625259E+04 8.526782 5.983174 0.148666 2.070394 0.999688 25.547813 71.255604 0.661581 0.425566 -1.055680 0.053033 0.000536 0.000099 0.053036 -0.004711 0.024575 -0.041255 -0.104409 -0.087853 -0.063247 -0.020303 0.083551 10.952005 17.061338 0.433755 -3.756566 5.053212 1.759816 10.741466 0.000001 135 C 7.570857 12.326734 6.650806 -0.064925 40.807347 0.43259278E+03 0.10037780E+05 10.190790 6.828284 0.098882 2.035398 0.999345 26.989429 74.152890 0.653089 0.404180 -1.084965 0.027556 0.007409 0.006089 0.029177 -0.008750 0.005476 -0.002809 -0.044181 0.015615 -0.027098 0.005063 0.022035 14.023171 24.452105 0.847787 -4.795861 5.945975 1.829050 11.671434 0.000001 136 C 8.463153 12.836617 7.569014 -0.036763 31.714880 0.38047420E+03 0.86315526E+04 8.686977 6.486616 0.074580 2.009928 0.999632 27.658752 77.518476 0.651028 0.414708 -1.067776 0.015822 -0.002708 -0.012446 0.020312 -0.009516 0.001015 -0.007895 -0.050955 0.013007 -0.029370 0.001639 0.027731 10.435781 16.619508 0.690740 -2.076168 5.291568 1.765385 9.396265 -0.000001 137 C 9.818290 12.886695 7.291521 -0.170508 35.135008 0.41663698E+03 0.96461078E+04 9.206042 6.728209 0.258456 2.056869 0.999771 28.890030 81.166981 0.649291 0.407448 -1.075042 -0.025581 0.000367 0.017696 0.031107 0.004705 0.018716 0.009150 -0.012954 0.023482 -0.022130 -0.002229 0.024359 11.240938 17.299898 0.064169 -3.380860 5.483377 2.028137 10.939540 -0.000002 138 C 10.243193 12.435994 6.048443 0.175616 37.300791 0.37194237E+03 0.83895228E+04 9.913507 6.534125 -0.073614 1.998020 0.999346 25.495185 71.227882 0.630832 0.430458 -1.057969 -0.044528 -0.021193 -0.027509 0.056468 -0.004702 0.008753 -0.021346 -0.027327 -0.046364 -0.027028 -0.005782 0.032810 13.695420 23.598312 0.140253 -4.222659 5.740911 2.011239 11.747035 -0.000000 139 C 11.663582 12.437512 5.662660 0.161214 38.075544 0.37986439E+03 0.86114628E+04 10.033597 6.592776 -0.062378 1.999462 0.999379 25.706191 71.943476 0.629678 0.429081 -1.059064 0.023610 -0.018709 -0.040945 0.050832 -0.009129 -0.011785 -0.013571 -0.039332 -0.011004 -0.028892 0.001135 0.027757 13.927665 25.325647 0.537288 -1.458547 5.701370 1.805777 10.755978 -0.000000 140 C 12.700041 12.801714 6.486115 -0.160623 35.275979 0.40565861E+03 0.93511136E+04 9.285466 6.664707 0.257297 2.059070 0.999786 28.780736 81.297804 0.647099 0.410613 -1.070478 0.033247 -0.008862 -0.003652 0.034601 -0.003490 0.003314 0.006493 -0.037368 0.061982 -0.029646 0.006139 0.023506 11.588052 20.176284 0.547480 0.130056 5.378273 1.693371 9.209599 -0.000002 141 C 13.995995 12.713699 6.061979 -0.039021 32.069591 0.38691691E+03 0.88324705E+04 8.819342 6.570830 0.134507 2.032090 0.999696 27.738176 78.499658 0.641191 0.418460 -1.063224 -0.019589 -0.012415 -0.000437 0.023196 0.005488 0.010634 -0.011350 -0.048324 -0.016190 -0.028619 -0.001918 0.030538 10.691245 17.736669 -0.051138 -0.553835 5.268824 1.792972 9.068242 -0.000000 142 C 14.258524 12.252376 4.776037 -0.061156 39.936709 0.44069161E+03 0.10278281E+05 10.050567 6.897544 0.075407 2.024941 0.999301 27.166827 74.952128 0.648687 0.404842 -1.083989 -0.022684 0.004809 0.019947 0.030587 0.005140 0.006974 -0.019348 -0.035547 0.025549 -0.026239 -0.004296 0.030536 13.482540 24.320437 -1.065165 -0.328343 5.918025 2.054083 10.209159 0.000000 143 C 13.171987 11.882103 3.984167 0.091003 30.220800 0.33803948E+03 0.74863842E+04 8.561821 6.216317 0.158675 2.068955 0.999670 26.063100 73.475882 0.645166 0.428677 -1.053181 -0.048589 0.002788 0.022520 0.053626 -0.015834 -0.006931 -0.034656 -0.104150 0.002613 -0.057794 -0.012420 0.070214 10.747588 18.009992 0.235301 0.811705 5.027364 1.703107 9.205409 0.000001 144 C 6.089768 12.211403 6.931457 0.607569 24.763890 0.24456711E+03 0.50246672E+04 7.813028 5.531306 0.068689 2.085361 0.999567 21.907938 60.637579 0.635489 0.469125 -1.023685 -0.057181 -0.004029 0.016585 0.059673 -0.015050 0.005457 -0.049259 -0.136541 -0.082463 -0.056167 -0.046376 0.102543 9.939607 15.441528 0.676758 -1.936204 4.937593 1.574428 9.439699 0.000000 145 C 0.496226 11.961014 4.336109 0.596346 25.101188 0.25088555E+03 0.51858670E+04 7.852915 5.587356 0.056387 2.076940 0.999593 22.127850 61.371070 0.635027 0.466625 -1.025367 0.058896 -0.013585 -0.013793 0.061996 0.043244 -0.002328 -0.003111 -0.147692 -0.144124 -0.061706 -0.047973 0.109679 9.812978 14.689611 -1.529140 -0.270025 4.566367 0.716858 10.182955 0.000000 146 C 1.699611 11.294827 8.182657 0.483068 18.752851 0.23272500E+03 0.47575612E+04 6.414551 5.341545 0.153173 2.092871 0.999437 23.374967 66.119305 0.651692 0.459750 -1.021262 0.055425 0.026840 -0.002866 0.061648 -0.045193 0.046089 -0.076347 -0.101490 -0.099863 -0.085808 -0.045861 0.131670 6.807883 7.952176 1.306888 -0.447959 5.187394 1.199802 7.284080 0.000000 147 C 10.885099 0.508366 22.370893 0.101629 30.227258 0.31544844E+03 0.68625381E+04 8.526787 5.983178 0.148667 2.070394 0.999688 25.547838 71.255688 0.661581 0.425566 -1.055680 -0.000535 0.053033 0.000099 0.053036 0.004711 0.041255 0.024576 0.104407 -0.087854 -0.063248 -0.020303 0.083550 10.952008 5.053214 -0.433754 -1.759816 17.061344 -3.756565 10.741465 0.000001 148 C 10.435916 -0.016693 1.010706 -0.064925 40.807347 0.43259275E+03 0.10037780E+05 10.190793 6.828285 0.098880 2.035397 0.999345 26.989427 74.152898 0.653089 0.404180 -1.084965 -0.007409 0.027556 0.006089 0.029177 0.008750 0.002809 0.005476 0.044181 0.015614 -0.027099 0.005063 0.022035 14.023171 5.945975 -0.847785 -1.829050 24.452101 -4.795861 11.671435 0.000001 149 C 9.926033 0.875603 1.928914 -0.036763 31.714881 0.38047423E+03 0.86315538E+04 8.686978 6.486617 0.074580 2.009928 0.999632 27.658754 77.518487 0.651028 0.414708 -1.067776 0.002708 0.015822 -0.012446 0.020312 0.009516 0.007895 0.001015 0.050956 0.013006 -0.029370 0.001639 0.027731 10.435780 5.291569 -0.690739 -1.765385 16.619503 -2.076170 9.396267 -0.000001 150 C 9.875955 2.230740 1.651421 -0.170508 35.135009 0.41663704E+03 0.96461094E+04 9.206043 6.728209 0.258454 2.056869 0.999771 28.890030 81.166980 0.649291 0.407448 -1.075042 -0.000367 -0.025580 0.017696 0.031107 -0.004705 -0.009150 0.018716 0.012954 0.023481 -0.022130 -0.002229 0.024359 11.240937 5.483377 -0.064168 -2.028136 17.299893 -3.380864 10.939540 -0.000002 151 C 10.326656 2.655643 0.408343 0.175616 37.300789 0.37194239E+03 0.83895234E+04 9.913506 6.534125 -0.073615 1.998019 0.999346 25.495188 71.227891 0.630832 0.430458 -1.057969 0.021193 -0.044528 -0.027508 0.056468 0.004702 0.021346 0.008753 0.027327 -0.046364 -0.027028 -0.005782 0.032810 13.695413 5.740910 -0.140252 -2.011237 23.598300 -4.222664 11.747030 -0.000000 152 C 10.325138 4.076032 0.022560 0.161213 38.075566 0.37986476E+03 0.86114728E+04 10.033598 6.592777 -0.062377 1.999462 0.999379 25.706209 71.943522 0.629678 0.429081 -1.059064 0.018710 0.023610 -0.040945 0.050833 0.009129 0.013571 -0.011786 0.039330 -0.011003 -0.028892 0.001136 0.027756 13.927657 5.701369 -0.537288 -1.805777 25.325624 -1.458560 10.755977 -0.000000 153 C 9.960936 5.112491 0.846015 -0.160623 35.275956 0.40565860E+03 0.93511132E+04 9.285461 6.664707 0.257298 2.059070 0.999786 28.780738 81.297810 0.647099 0.410613 -1.070478 0.008862 0.033248 -0.003652 0.034602 0.003490 -0.006493 0.003314 0.037369 0.061982 -0.029646 0.006139 0.023507 11.588037 5.378270 -0.547482 -1.693371 20.176244 0.130051 9.209597 -0.000002 154 C 10.048951 6.408445 0.421879 -0.039021 32.069609 0.38691732E+03 0.88324836E+04 8.819347 6.570835 0.134502 2.032088 0.999696 27.738198 78.499769 0.641191 0.418460 -1.063224 0.012415 -0.019589 -0.000436 0.023196 -0.005489 0.011350 0.010634 0.048326 -0.016190 -0.028620 -0.001919 0.030539 10.691244 5.268827 0.051128 -1.792976 17.736642 -0.553825 9.068262 -0.000000 155 C 10.510274 6.670974 21.696337 -0.061155 39.936830 0.44069417E+03 0.10278360E+05 10.050601 6.897576 0.075391 2.024935 0.999301 27.166895 74.952508 0.648683 0.404843 -1.083988 -0.004809 -0.022685 0.019947 0.030588 -0.005140 0.019348 0.006972 0.035551 0.025550 -0.026240 -0.004296 0.030536 13.482561 5.918043 1.065147 -2.054100 24.320413 -0.328354 10.209228 0.000000 156 C 10.880547 5.584437 20.904467 0.091001 30.220927 0.33804153E+03 0.74864440E+04 8.561849 6.216339 0.158660 2.068949 0.999670 26.063216 73.476376 0.645164 0.428677 -1.053180 -0.002786 -0.048588 0.022520 0.053626 0.015834 0.034655 -0.006930 0.104150 0.002612 -0.057793 -0.012420 0.070213 10.747609 5.027380 -0.235304 -1.703119 18.010000 0.811685 9.205446 0.000001 157 C 10.551247 13.677318 1.291357 0.607569 24.763894 0.24456719E+03 0.50246697E+04 7.813030 5.531308 0.068688 2.085361 0.999567 21.907950 60.637639 0.635489 0.469125 -1.023685 0.004029 -0.057180 0.016585 0.059673 0.015050 0.049259 0.005457 0.136541 -0.082464 -0.056166 -0.046377 0.102543 9.939610 4.937595 -0.676756 -1.574428 15.441527 -1.936209 9.439707 0.000000 158 C 10.801636 8.083776 21.256409 0.596358 25.101117 0.25088374E+03 0.51858202E+04 7.852900 5.587341 0.056274 2.076904 0.999592 22.127746 61.370714 0.635027 0.466626 -1.025367 0.013586 0.058899 -0.013799 0.062001 -0.043242 0.003111 -0.002330 0.147678 -0.144130 -0.061699 -0.047975 0.109674 9.812941 4.566362 1.529093 -0.716850 14.689408 -0.269947 10.183053 0.000000 159 C 11.467823 9.287161 2.542557 0.483068 18.752864 0.23272502E+03 0.47575629E+04 6.414558 5.341548 0.153167 2.092868 0.999437 23.374984 66.119408 0.651692 0.459751 -1.021262 -0.026840 0.055425 -0.002866 0.061648 0.045193 0.076347 0.046089 0.101491 -0.099866 -0.085808 -0.045861 0.131670 6.807895 5.187403 -1.306893 -1.199805 7.952192 -0.447958 7.284090 0.000000 160 C 4.290001 14.666734 11.090693 0.101629 30.227255 0.31544840E+03 0.68625372E+04 8.526787 5.983178 0.148666 2.070393 0.999688 25.547836 71.255681 0.661581 0.425566 -1.055680 0.000535 -0.053033 0.000099 0.053036 0.004711 -0.041255 -0.024575 0.104408 -0.087853 -0.063247 -0.020303 0.083550 10.952009 5.053214 -0.433754 1.759816 17.061351 3.756569 10.741461 0.000001 161 C 4.739184 0.016693 12.290906 -0.064925 40.807291 0.43259238E+03 0.10037768E+05 10.190780 6.828280 0.098883 2.035398 0.999345 26.989415 74.152828 0.653090 0.404180 -1.084966 0.007408 -0.027556 0.006089 0.029177 0.008750 -0.002810 -0.005476 0.044181 0.015615 -0.027099 0.005063 0.022035 14.023148 5.945968 -0.847781 1.829047 24.452063 4.795858 11.671413 0.000001 162 C 5.249067 14.299497 13.209114 -0.036761 31.714739 0.38047265E+03 0.86315072E+04 8.686950 6.486603 0.074586 2.009931 0.999632 27.658677 77.518176 0.651029 0.414708 -1.067776 -0.002709 -0.015822 -0.012446 0.020312 0.009516 -0.007895 -0.001016 0.050956 0.013006 -0.029370 0.001639 0.027731 10.435736 5.291553 -0.690737 1.765379 16.619429 2.076153 9.396227 -0.000001 163 C 5.299145 12.944360 12.931621 -0.170506 35.134844 0.41663520E+03 0.96460542E+04 9.206010 6.728192 0.258462 2.056872 0.999771 28.889958 81.166677 0.649292 0.407448 -1.075042 0.000366 0.025581 0.017697 0.031108 -0.004705 0.009149 -0.018715 0.012955 0.023483 -0.022130 -0.002228 0.024359 11.240885 5.483360 -0.064170 2.028130 17.299801 3.380833 10.939494 -0.000002 164 C 4.848444 12.519458 11.688543 0.175615 37.300734 0.37194221E+03 0.83895175E+04 9.913494 6.534122 -0.073612 1.998020 0.999346 25.495180 71.227840 0.630833 0.430457 -1.057969 -0.021193 0.044528 -0.027509 0.056468 0.004702 -0.021346 -0.008753 0.027326 -0.046363 -0.027028 -0.005782 0.032809 13.695387 5.740904 -0.140256 2.011237 23.598246 4.222637 11.747011 -0.000000 165 C 4.849962 11.099068 11.302760 0.161215 38.075479 0.37986412E+03 0.86114543E+04 10.033585 6.592774 -0.062377 1.999463 0.999379 25.706171 71.943393 0.629678 0.429081 -1.059064 -0.018709 -0.023610 -0.040945 0.050832 0.009129 -0.013571 0.011785 0.039332 -0.011003 -0.028892 0.001135 0.027757 13.927637 5.701364 -0.537289 1.805773 25.325592 1.458538 10.755955 -0.000000 166 C 5.214164 10.062609 12.126215 -0.160622 35.275853 0.40565727E+03 0.93510733E+04 9.285441 6.664695 0.257301 2.059072 0.999786 28.780674 81.297547 0.647100 0.410613 -1.070478 -0.008862 -0.033247 -0.003652 0.034602 0.003490 0.006492 -0.003314 0.037369 0.061982 -0.029646 0.006140 0.023506 11.588012 5.378261 -0.547479 1.693366 20.176206 -0.130059 9.209568 -0.000002 167 C 5.126149 8.766655 11.702079 -0.039020 32.069522 0.38691619E+03 0.88324494E+04 8.819328 6.570823 0.134508 2.032091 0.999696 27.738146 78.499530 0.641192 0.418460 -1.063224 -0.012415 0.019589 -0.000436 0.023196 -0.005488 -0.011350 -0.010634 0.048324 -0.016189 -0.028619 -0.001918 0.030538 10.691219 5.268816 0.051136 1.792969 17.736621 0.553829 9.068220 -0.000000 168 C 4.664826 8.504126 10.416137 -0.061157 39.936758 0.44069227E+03 0.10278300E+05 10.050575 6.897550 0.075406 2.024940 0.999301 27.166850 74.952211 0.648686 0.404842 -1.083989 0.004809 0.022684 0.019947 0.030588 -0.005140 -0.019348 -0.006973 0.035546 0.025549 -0.026239 -0.004296 0.030535 13.482549 5.918029 1.065163 2.054082 24.320461 0.328331 10.209156 0.000000 169 C 4.294553 9.590663 9.624267 0.091002 30.220836 0.33804000E+03 0.74863988E+04 8.561827 6.216321 0.158674 2.068954 0.999670 26.063129 73.475981 0.645165 0.428677 -1.053181 0.002788 0.048589 0.022520 0.053626 0.015834 -0.034656 0.006931 0.104149 0.002615 -0.057793 -0.012420 0.070213 10.747593 5.027366 -0.235304 1.703107 18.010007 -0.811713 9.205406 0.000001 170 C 4.623853 1.497782 12.571557 0.607569 24.763875 0.24456705E+03 0.50246655E+04 7.813025 5.531305 0.068690 2.085362 0.999567 21.907932 60.637559 0.635489 0.469125 -1.023685 -0.004030 0.057180 0.016585 0.059673 0.015050 -0.049259 -0.005457 0.136541 -0.082463 -0.056167 -0.046376 0.102543 9.939598 4.937590 -0.676754 1.574427 15.441513 1.936208 9.439690 0.000000 171 C 4.373464 7.091324 9.976209 0.596346 25.101184 0.25088551E+03 0.51858665E+04 7.852914 5.587356 0.056387 2.076940 0.999593 22.127858 61.371102 0.635027 0.466625 -1.025367 -0.013585 -0.058896 -0.013794 0.061996 -0.043244 -0.003111 0.002328 0.147692 -0.144123 -0.061707 -0.047973 0.109679 9.812973 4.566366 1.529139 0.716856 14.689606 0.270019 10.182948 0.000000 172 C 3.707277 5.887939 13.822757 0.483068 18.752852 0.23272506E+03 0.47575622E+04 6.414548 5.341544 0.153177 2.092872 0.999437 23.374957 66.119238 0.651693 0.459750 -1.021262 0.026838 -0.055426 -0.002865 0.061648 0.045193 -0.076348 -0.046089 0.101489 -0.099863 -0.085809 -0.045861 0.131670 6.807878 5.187392 -1.306889 1.199801 7.952176 0.447959 7.284067 0.000000 173 N 1.780039 10.839574 0.478280 -0.231737 42.850217 0.47845565E+03 0.11318295E+05 10.253509 7.073090 0.020763 2.043460 0.998327 27.240375 74.127044 0.660327 0.392110 -1.099683 -0.055639 -0.038287 -0.117063 0.135149 -0.020953 -0.042718 -0.046055 0.003049 -0.151742 -0.091694 0.045394 0.046300 13.634781 22.839492 -1.423363 2.704751 5.947490 1.607989 12.117362 -0.000000 174 N 4.321868 10.821364 1.240822 -0.248697 43.039149 0.53708156E+03 0.13068579E+05 10.306508 7.516704 -0.074643 1.999183 0.998465 28.080210 77.322473 0.638075 0.394499 -1.098775 0.117873 -0.031010 -0.073464 0.142312 0.034908 0.064365 -0.022686 -0.062949 0.032643 -0.095879 0.040139 0.055741 13.143331 20.912982 0.670026 1.676134 6.221866 2.287510 12.295144 -0.000000 175 N 13.395061 4.335526 11.758480 -0.231723 42.848656 0.47842422E+03 0.11317393E+05 10.253357 7.072915 0.020113 2.043291 0.998322 27.239503 74.124737 0.660325 0.392116 -1.099676 0.055653 0.038289 -0.117055 0.135149 -0.020965 0.042726 0.046053 0.003037 -0.151684 -0.091690 0.045387 0.046303 13.634675 22.838949 -1.423153 -2.705226 5.947416 -1.608090 12.117659 -0.000000 176 N 10.853232 4.353736 12.521022 -0.248619 43.035891 0.53702916E+03 0.13066998E+05 10.306060 7.516380 -0.075334 1.998986 0.998470 28.078842 77.318041 0.638083 0.394504 -1.098771 -0.117864 0.031014 -0.073454 0.142300 0.034907 -0.064347 0.022664 -0.062857 0.032645 -0.095833 0.040091 0.055742 13.142777 20.912525 0.669893 -1.675886 6.221610 -2.287320 12.294195 -0.000000 177 N 11.923076 9.367589 17.398580 -0.231723 42.848666 0.47842463E+03 0.11317405E+05 10.253359 7.072918 0.020114 2.043292 0.998322 27.239509 74.124769 0.660325 0.392116 -1.099676 0.038290 -0.055654 -0.117055 0.135149 0.020965 0.046053 -0.042726 -0.003036 -0.151684 -0.091690 0.045387 0.046303 13.634667 5.947415 1.423153 -1.608091 22.838924 2.705225 12.117663 -0.000000 178 N 11.941286 11.909418 18.161122 -0.248619 43.035893 0.53702914E+03 0.13066998E+05 10.306062 7.516381 -0.075335 1.998986 0.998470 28.078840 77.318046 0.638083 0.394504 -1.098771 0.031015 0.117864 -0.073454 0.142300 -0.034907 0.022664 0.064347 0.062857 0.032644 -0.095833 0.040091 0.055742 13.142776 6.221610 -0.669896 -2.287324 20.912515 1.675892 12.294202 -0.000000 179 N 3.252024 5.807511 6.118380 -0.231737 42.850209 0.47845524E+03 0.11318282E+05 10.253507 7.073086 0.020762 2.043460 0.998327 27.240369 74.127014 0.660327 0.392110 -1.099683 -0.038286 0.055639 -0.117063 0.135149 0.020953 -0.046055 0.042718 -0.003049 -0.151742 -0.091694 0.045394 0.046300 13.634789 5.947491 1.423363 1.607988 22.839518 -2.704753 12.117358 -0.000000 180 N 3.233814 3.265682 6.880922 -0.248697 43.039147 0.53708158E+03 0.13068579E+05 10.306506 7.516703 -0.074642 1.999183 0.998465 28.080212 77.322468 0.638076 0.394499 -1.098775 -0.031010 -0.117873 -0.073465 0.142312 -0.034908 -0.022686 -0.064365 0.062949 0.032643 -0.095879 0.040138 0.055741 13.143331 6.221866 -0.670023 2.287506 20.912991 -1.676128 12.295137 -0.000000 181 N 5.807511 3.252024 16.442020 -0.231725 42.848726 0.47842533E+03 0.11317425E+05 10.253364 7.072920 0.020121 2.043293 0.998322 27.239547 74.124872 0.660325 0.392116 -1.099676 0.055653 -0.038289 0.117056 0.135150 0.020965 -0.042726 0.046052 0.003037 -0.151683 -0.091689 0.045387 0.046302 13.634674 22.838939 1.423154 2.705234 5.947417 -1.608091 12.117667 -0.000000 182 N 3.265682 3.233814 15.679478 -0.248622 43.035977 0.53703039E+03 0.13067035E+05 10.306072 7.516387 -0.075332 1.998986 0.998470 28.078884 77.318177 0.638083 0.394503 -1.098771 -0.117864 -0.031014 0.073455 0.142300 -0.034907 0.064346 0.022664 -0.062856 0.032643 -0.095832 0.040090 0.055742 13.142785 20.912542 -0.669894 1.675892 6.221613 -2.287321 12.294201 -0.000000 183 N 9.367589 11.923076 5.161820 -0.231722 42.848675 0.47842450E+03 0.11317401E+05 10.253361 7.072917 0.020115 2.043292 0.998322 27.239505 74.124754 0.660325 0.392116 -1.099676 -0.055654 0.038289 0.117055 0.135149 0.020965 0.042726 -0.046052 0.003036 -0.151684 -0.091690 0.045387 0.046303 13.634683 22.838945 1.423156 -2.705229 5.947418 1.608093 12.117685 -0.000000 184 N 11.909418 11.941286 4.399278 -0.248619 43.035917 0.53702906E+03 0.13066994E+05 10.306065 7.516380 -0.075338 1.998985 0.998470 28.078835 77.318011 0.638083 0.394504 -1.098771 0.117863 0.031014 0.073454 0.142299 -0.034907 -0.064347 -0.022664 -0.062856 0.032644 -0.095833 0.040090 0.055743 13.142795 20.912553 -0.669895 -1.675877 6.221613 2.287323 12.294218 -0.000000 185 N 10.839574 1.780039 22.082120 -0.231724 42.848727 0.47842528E+03 0.11317424E+05 10.253366 7.072921 0.020118 2.043292 0.998322 27.239535 74.124841 0.660325 0.392116 -1.099676 -0.038289 -0.055653 0.117056 0.135149 -0.020965 0.046052 0.042726 -0.003037 -0.151683 -0.091690 0.045387 0.046302 13.634683 5.947419 -1.423155 -1.608091 22.838950 -2.705234 12.117679 -0.000000 186 N 10.821364 4.321868 21.319578 -0.248621 43.035974 0.53703014E+03 0.13067028E+05 10.306073 7.516386 -0.075333 1.998986 0.998470 28.078874 77.318151 0.638083 0.394503 -1.098771 -0.031014 0.117864 0.073455 0.142300 0.034907 0.022664 -0.064347 0.062856 0.032644 -0.095832 0.040090 0.055742 13.142794 6.221615 0.669896 -2.287325 20.912546 -1.675899 12.294220 -0.000000 187 N 4.335526 13.395061 10.801920 -0.231723 42.848676 0.47842457E+03 0.11317403E+05 10.253359 7.072917 0.020117 2.043292 0.998322 27.239518 74.124787 0.660325 0.392116 -1.099676 0.038289 0.055654 0.117055 0.135149 -0.020965 -0.046052 -0.042726 -0.003036 -0.151683 -0.091690 0.045387 0.046302 13.634674 5.947416 -1.423155 1.608092 22.838934 2.705229 12.117673 -0.000000 188 N 4.353736 10.853232 10.039378 -0.248620 43.035918 0.53702929E+03 0.13067001E+05 10.306064 7.516381 -0.075337 1.998985 0.998470 28.078844 77.318036 0.638083 0.394503 -1.098771 0.031014 -0.117863 0.073454 0.142299 0.034906 -0.022664 0.064347 0.062856 0.032644 -0.095833 0.040090 0.055742 13.142787 6.221611 0.669893 2.287320 20.912550 1.675870 12.294200 -0.000000 189 O 12.959535 11.017123 22.160404 -0.539302 37.156255 0.50547195E+03 0.11961882E+05 8.829221 6.943362 0.384010 2.182810 0.998025 27.019469 70.400239 0.723652 0.357663 -1.140385 0.000708 0.002770 -0.022266 0.022449 -0.018422 -0.046973 -0.020900 -0.091571 -0.016353 -0.080511 0.024771 0.055740 10.475075 15.790137 -2.173363 -3.885428 6.365614 1.708546 9.269473 0.000001 190 O 13.325104 10.109652 20.135608 -0.562209 36.432893 0.52962916E+03 0.12676298E+05 8.688509 7.082412 0.333241 2.154819 0.997952 27.551244 72.111692 0.720549 0.355158 -1.142787 -0.023309 0.009442 0.030186 0.039290 0.025580 0.042685 0.001266 -0.058801 0.064166 -0.067751 0.018291 0.049459 10.255416 11.576556 1.095740 5.446334 6.050365 1.785736 13.139326 0.000000 191 O 8.877434 10.953387 0.327126 -0.569602 42.178693 0.58834754E+03 0.14458632E+05 9.690227 7.536565 0.220407 2.118085 0.996630 27.982338 74.245748 0.688444 0.362030 -1.137175 -0.013301 0.005040 0.016853 0.022054 -0.013845 -0.057173 -0.017618 -0.086483 -0.001560 -0.086285 0.035587 0.050698 12.026061 18.155427 0.918758 -6.309112 6.206887 -0.164845 11.715869 0.000000 192 O 8.283632 10.920305 2.533082 -0.523240 34.368802 0.48044487E+03 0.11233767E+05 8.392825 6.772669 0.314801 2.168150 0.996500 26.751604 69.437369 0.731673 0.358020 -1.139332 0.021440 0.005885 -0.016206 0.027513 -0.022389 0.032572 0.013027 -0.069520 0.106170 -0.070565 0.023246 0.047319 9.583611 9.957690 1.273230 3.278250 5.425882 1.811297 13.367260 0.000001 193 O 10.418010 11.306512 20.569896 -0.537538 39.939027 0.64123717E+03 0.16162981E+05 9.386882 7.923079 -0.322100 1.945871 0.994932 28.282343 76.955742 0.661916 0.367114 -1.128886 -0.052724 0.009825 -0.041480 0.067801 0.006438 0.011101 -0.025919 0.067000 -0.107755 -0.055117 0.002104 0.053013 10.474244 12.279169 -1.559116 1.546221 7.241520 -0.601992 11.902043 0.000000 194 O 9.003387 10.895722 18.940133 -0.539631 27.436686 0.44944871E+03 0.10338088E+05 7.067630 6.469895 0.640611 2.225928 0.999455 27.895234 71.878919 0.762431 0.349257 -1.146098 0.033023 0.002058 0.039927 0.051854 0.085179 -0.017692 0.017261 -0.162048 0.239307 -0.159669 0.070728 0.088942 7.238570 6.435165 0.369709 1.290283 5.747672 1.710614 9.532875 -0.000002 195 O 2.215565 4.157977 10.880204 -0.539294 37.155346 0.50546239E+03 0.11961594E+05 8.829061 6.943286 0.383964 2.182798 0.998025 27.019277 70.399468 0.723658 0.357662 -1.140387 -0.000709 -0.002773 -0.022262 0.022446 -0.018423 0.046973 0.020901 -0.091574 -0.016345 -0.080512 0.024771 0.055741 10.474839 15.789752 -2.173275 3.885240 6.365500 -1.708500 9.269267 0.000001 196 O 1.849996 5.065448 8.855408 -0.562186 36.432019 0.52961353E+03 0.12675852E+05 8.688416 7.082340 0.332886 2.154714 0.997953 27.550853 72.110854 0.720547 0.355161 -1.142782 0.023321 -0.009452 0.030173 0.039289 0.025568 -0.042696 -0.001263 -0.058756 0.064158 -0.067737 0.018276 0.049461 10.255313 11.576924 1.095742 -5.446194 6.050275 -1.785677 13.138740 0.000000 197 O 6.297667 4.221713 11.607326 -0.569602 42.178587 0.58834610E+03 0.14458588E+05 9.690211 7.536557 0.220403 2.118085 0.996630 27.982318 74.245681 0.688444 0.362030 -1.137175 0.013300 -0.005040 0.016856 0.022054 -0.013845 0.057174 0.017619 -0.086481 -0.001563 -0.086285 0.035588 0.050698 12.026031 18.155410 0.918742 6.309107 6.206871 0.164833 11.715811 0.000000 198 O 6.891468 4.254795 13.813282 -0.523234 34.368466 0.48043962E+03 0.11233612E+05 8.392768 6.772630 0.314806 2.168153 0.996500 26.751484 69.436926 0.731675 0.358020 -1.139333 -0.021440 -0.005886 -0.016204 0.027511 -0.022389 -0.032572 -0.013026 -0.069521 0.106171 -0.070566 0.023247 0.047319 9.583529 9.957605 1.273214 -3.278209 5.425847 -1.811277 13.367134 0.000001 199 O 4.757090 3.868588 9.289696 -0.537522 39.937807 0.64121462E+03 0.16162303E+05 9.386721 7.922956 -0.321632 1.946018 0.994939 28.282072 76.955229 0.661918 0.367115 -1.128882 0.052713 -0.009828 -0.041502 0.067806 0.006425 -0.011070 0.025911 0.067028 -0.107742 -0.055103 0.002087 0.053017 10.474052 12.279178 -1.559350 -1.546149 7.241556 0.601955 11.901422 0.000001 200 O 6.171713 4.279378 7.659933 -0.539615 27.435941 0.44943203E+03 0.10337604E+05 7.067491 6.469764 0.640633 2.225941 0.999455 27.894869 71.877521 0.762441 0.349256 -1.146100 -0.033032 -0.002061 0.039915 0.051852 0.085183 0.017695 -0.017258 -0.162041 0.239308 -0.159670 0.070732 0.088938 7.238440 6.435025 0.369724 -1.290349 5.747550 -1.710534 9.532744 -0.000002 201 O 11.745527 5.371985 16.520304 -0.539298 37.156067 0.50546933E+03 0.11961804E+05 8.829191 6.943344 0.384014 2.182812 0.998025 27.019404 70.400015 0.723653 0.357663 -1.140385 -0.002770 0.000707 -0.022266 0.022448 0.018423 0.020900 -0.046973 0.091572 -0.016351 -0.080511 0.024771 0.055740 10.475030 6.365594 2.173348 -1.708533 15.790073 -3.885386 9.269423 0.000001 202 O 12.652998 5.737554 14.495508 -0.562208 36.432853 0.52962803E+03 0.12676264E+05 8.688502 7.082404 0.333240 2.154819 0.997952 27.551228 72.111623 0.720550 0.355158 -1.142787 -0.009442 -0.023310 0.030187 0.039291 -0.025581 -0.001266 0.042685 0.058802 0.064167 -0.067751 0.018292 0.049460 10.255419 6.050367 -1.095747 -1.785744 11.576551 5.446346 13.139340 0.000000 203 O 11.809263 1.289884 17.247426 -0.569602 42.178654 0.58834708E+03 0.14458617E+05 9.690220 7.536562 0.220408 2.118086 0.996630 27.982333 74.245722 0.688444 0.362030 -1.137175 -0.005040 -0.013300 0.016855 0.022054 0.013845 0.017619 -0.057173 0.086483 -0.001561 -0.086285 0.035587 0.050698 12.026048 6.206884 -0.918757 0.164845 18.155417 -6.309103 11.715844 0.000000 204 O 11.842345 0.696082 19.453382 -0.523236 34.368539 0.48044066E+03 0.11233643E+05 8.392780 6.772637 0.314806 2.168153 0.996500 26.751509 69.437015 0.731675 0.358020 -1.139333 -0.005885 0.021440 -0.016204 0.027512 0.022389 -0.013027 0.032572 0.069521 0.106171 -0.070566 0.023247 0.047319 9.583550 5.425855 -1.273218 -1.811280 9.957630 3.278225 13.367165 0.000001 205 O 11.456138 2.830460 14.929796 -0.537538 39.939031 0.64123731E+03 0.16162986E+05 9.386883 7.923080 -0.322101 1.945871 0.994932 28.282346 76.955753 0.661916 0.367114 -1.128886 -0.009825 -0.052724 -0.041480 0.067801 -0.006438 0.025919 0.011101 -0.067000 -0.107755 -0.055117 0.002104 0.053013 10.474243 7.241522 1.559116 0.601992 12.279169 1.546223 11.902038 0.000001 206 O 11.866928 1.415837 13.300033 -0.539631 27.436611 0.44944707E+03 0.10338040E+05 7.067614 6.469881 0.640615 2.225930 0.999455 27.895209 71.878800 0.762432 0.349257 -1.146098 -0.002059 0.033023 0.039926 0.051854 -0.085179 -0.017261 -0.017691 0.162048 0.239309 -0.159669 0.070727 0.088942 7.238555 5.747662 -0.369709 -1.710611 6.435149 1.290279 9.532852 -0.000002 207 O 3.429573 9.803115 5.240104 -0.539297 37.155534 0.50546501E+03 0.11961672E+05 8.829091 6.943304 0.383960 2.182796 0.998025 27.019342 70.399692 0.723657 0.357662 -1.140387 0.002773 -0.000710 -0.022263 0.022446 0.018422 -0.020901 0.046973 0.091573 -0.016347 -0.080511 0.024771 0.055740 10.474884 6.365520 2.173291 1.708514 15.789815 3.885282 9.269317 0.000001 208 O 2.522102 9.437546 3.215308 -0.562187 36.432056 0.52961461E+03 0.12675884E+05 8.688423 7.082348 0.332886 2.154714 0.997953 27.550868 72.110918 0.720546 0.355161 -1.142782 0.009452 0.023320 0.030172 0.039288 -0.025568 0.001264 -0.042696 0.058755 0.064158 -0.067736 0.018276 0.049460 10.255308 6.050272 -1.095735 1.785670 11.576928 -5.446181 13.138725 0.000000 209 O 3.365837 13.885217 5.967226 -0.569602 42.178626 0.58834657E+03 0.14458603E+05 9.690218 7.536561 0.220402 2.118085 0.996630 27.982323 74.245707 0.688444 0.362030 -1.137175 0.005040 0.013301 0.016854 0.022054 0.013845 -0.017619 0.057173 0.086481 -0.001562 -0.086285 0.035588 0.050697 12.026043 6.206874 -0.918743 -0.164833 18.155420 6.309116 11.715835 0.000001 210 O 3.332755 14.479018 8.173182 -0.523239 34.368728 0.48044383E+03 0.11233736E+05 8.392812 6.772661 0.314801 2.168150 0.996500 26.751580 69.437280 0.731673 0.358020 -1.139332 0.005886 -0.021440 -0.016205 0.027512 0.022389 0.013027 -0.032572 0.069520 0.106171 -0.070566 0.023246 0.047319 9.583589 5.425874 -1.273226 1.811294 9.957664 -3.278234 13.367229 0.000001 211 O 3.718962 12.344640 3.649596 -0.537522 39.937801 0.64121444E+03 0.16162297E+05 9.386720 7.922955 -0.321631 1.946019 0.994939 28.282068 76.955216 0.661918 0.367115 -1.128882 0.009828 0.052712 -0.041502 0.067806 -0.006425 -0.025911 -0.011070 -0.067028 -0.107742 -0.055103 0.002087 0.053017 10.474053 7.241554 1.559350 -0.601956 12.279178 -1.546147 11.901427 0.000001 212 O 3.308172 13.759263 2.019833 -0.539615 27.436014 0.44943362E+03 0.10337650E+05 7.067507 6.469778 0.640629 2.225939 0.999455 27.894893 71.877636 0.762439 0.349257 -1.146099 0.002060 -0.033032 0.039916 0.051853 -0.085183 0.017259 0.017696 0.162041 0.239307 -0.159670 0.070732 0.088938 7.238455 5.747560 -0.369725 1.710537 6.435040 -1.290352 9.532766 -0.000002 213 O 9.803115 3.429573 17.320296 -0.539300 37.156124 0.50547040E+03 0.11961836E+05 8.829200 6.943352 0.384014 2.182812 0.998025 27.019431 70.400111 0.723652 0.357663 -1.140385 -0.000706 0.002771 0.022267 0.022450 0.018423 -0.046973 0.020900 -0.091572 -0.016353 -0.080511 0.024771 0.055740 10.475039 15.790087 2.173346 -3.885386 6.365599 -1.708532 9.269432 0.000001 214 O 9.437546 2.522102 19.345092 -0.562205 36.432698 0.52962536E+03 0.12676184E+05 8.688476 7.082385 0.333242 2.154820 0.997952 27.551171 72.111412 0.720551 0.355158 -1.142787 0.023311 0.009443 -0.030185 0.039290 -0.025581 0.042685 -0.001266 -0.058803 0.064168 -0.067752 0.018292 0.049460 10.255387 11.576499 -1.095742 5.446325 6.050352 -1.785739 13.139311 0.000000 215 O 13.885217 3.365837 16.593174 -0.569600 42.178516 0.58834481E+03 0.14458547E+05 9.690199 7.536548 0.220407 2.118086 0.996630 27.982288 74.245561 0.688445 0.362030 -1.137175 0.013300 0.005040 -0.016854 0.022053 0.013845 -0.057173 0.017619 -0.086484 -0.001561 -0.086285 0.035587 0.050698 12.026017 18.155357 -0.918752 -6.309091 6.206871 0.164846 11.715823 0.000000 216 O 14.479018 3.332755 14.387218 -0.523239 34.368674 0.48044307E+03 0.11233714E+05 8.392802 6.772655 0.314804 2.168151 0.996500 26.751567 69.437224 0.731674 0.358020 -1.139333 -0.021441 0.005885 0.016206 0.027513 0.022389 0.032572 -0.013027 -0.069520 0.106170 -0.070566 0.023246 0.047319 9.583572 9.957661 -1.273222 3.278231 5.425869 -1.811284 13.367186 0.000001 217 O 12.344640 3.718962 18.910804 -0.537539 39.939024 0.64123732E+03 0.16162986E+05 9.386880 7.923079 -0.322098 1.945872 0.994932 28.282347 76.955744 0.661916 0.367114 -1.128886 0.052724 0.009826 0.041481 0.067801 -0.006438 0.011101 0.025919 0.067000 -0.107754 -0.055117 0.002104 0.053013 10.474238 12.279156 1.559115 1.546219 7.241522 0.601994 11.902037 0.000001 218 O 13.759263 3.308172 20.540567 -0.539629 27.436465 0.44944400E+03 0.10337951E+05 7.067585 6.469856 0.640619 2.225932 0.999455 27.895148 71.878554 0.762434 0.349257 -1.146099 -0.033023 0.002060 -0.039924 0.051853 -0.085178 -0.017691 -0.017261 -0.162049 0.239309 -0.159669 0.070727 0.088942 7.238524 6.435120 -0.369708 1.290272 5.747640 -1.710603 9.532814 -0.000002 219 O 5.371985 11.745527 6.040096 -0.539297 37.155886 0.50546630E+03 0.11961713E+05 8.829160 6.943321 0.384015 2.182814 0.998025 27.019341 70.399774 0.723655 0.357663 -1.140386 0.000706 -0.002770 0.022266 0.022449 0.018422 0.046974 -0.020900 -0.091571 -0.016350 -0.080511 0.024772 0.055739 10.474993 15.790025 2.173340 3.885382 6.365567 1.708528 9.269389 0.000001 220 O 5.737554 12.652998 8.064892 -0.562206 36.432772 0.52962665E+03 0.12676222E+05 8.688488 7.082394 0.333242 2.154820 0.997952 27.551199 72.111510 0.720551 0.355158 -1.142787 -0.023310 -0.009441 -0.030186 0.039290 -0.025581 -0.042685 0.001266 -0.058803 0.064167 -0.067752 0.018292 0.049460 10.255405 11.576525 -1.095742 -5.446333 6.050359 1.785740 13.139330 0.000000 221 O 1.289884 11.809263 5.312974 -0.569601 42.178886 0.58835417E+03 0.14458845E+05 9.690279 7.536627 0.220407 2.118084 0.996630 27.982446 74.246325 0.688438 0.362032 -1.137173 -0.013304 -0.005037 -0.016847 0.022050 0.013848 0.057176 -0.017620 -0.086489 -0.001572 -0.086290 0.035589 0.050701 12.026117 18.155526 -0.918778 6.309060 6.206904 -0.164825 11.715922 0.000000 222 O 0.696082 11.842345 3.107018 -0.523212 34.367887 0.48043563E+03 0.11233512E+05 8.392705 6.772628 0.314878 2.168175 0.996511 26.751316 69.436790 0.731670 0.358023 -1.139329 0.021443 -0.005893 0.016198 0.027512 0.022364 -0.032581 0.013032 -0.069523 0.106124 -0.070555 0.023239 0.047316 9.583423 9.957796 -1.273256 -3.277960 5.425790 1.811189 13.366682 0.000001 223 O 2.830460 11.456138 7.630604 -0.537537 39.938908 0.64123546E+03 0.16162927E+05 9.386862 7.923067 -0.322099 1.945872 0.994932 28.282306 76.955598 0.661916 0.367114 -1.128886 -0.052724 -0.009825 0.041479 0.067800 -0.006438 -0.011101 -0.025919 0.067000 -0.107752 -0.055116 0.002104 0.053013 10.474216 12.279110 1.559103 -1.546210 7.241502 -0.601992 11.902037 0.000001 224 O 1.415837 11.866928 9.260367 -0.539629 27.436530 0.44944538E+03 0.10337991E+05 7.067599 6.469867 0.640615 2.225930 0.999455 27.895174 71.878662 0.762433 0.349257 -1.146099 0.033023 -0.002058 -0.039925 0.051853 -0.085179 0.017691 0.017261 -0.162049 0.239309 -0.159669 0.070727 0.088942 7.238539 6.435130 -0.369709 -1.290276 5.747650 1.710606 9.532838 -0.000002 225 O 11.017123 12.959535 0.399996 -0.539298 37.156073 0.50546930E+03 0.11961803E+05 8.829192 6.943344 0.384011 2.182812 0.998025 27.019403 70.400011 0.723653 0.357663 -1.140385 0.002770 0.000706 0.022266 0.022449 -0.018423 0.020900 0.046973 0.091573 -0.016352 -0.080512 0.024771 0.055740 10.475035 6.365596 -2.173347 -1.708534 15.790074 3.885393 9.269437 0.000001 226 O 10.109652 13.325104 2.424792 -0.562207 36.432832 0.52962749E+03 0.12676248E+05 8.688498 7.082400 0.333240 2.154819 0.997952 27.551217 72.111578 0.720550 0.355158 -1.142787 0.009442 -0.023311 -0.030187 0.039291 0.025581 -0.001266 -0.042686 0.058803 0.064167 -0.067752 0.018292 0.049460 10.255421 6.050366 1.095744 -1.785742 11.576542 -5.446345 13.139355 0.000000 227 O 10.953387 8.877434 22.233274 -0.569600 42.178525 0.58834510E+03 0.14458556E+05 9.690200 7.536549 0.220409 2.118087 0.996630 27.982288 74.245558 0.688445 0.362030 -1.137175 0.005040 -0.013300 -0.016855 0.022054 -0.013845 0.017619 0.057173 0.086484 -0.001561 -0.086286 0.035587 0.050698 12.026019 6.206873 0.918753 0.164845 18.155356 6.309089 11.715829 0.000000 228 O 10.920305 8.283632 20.027318 -0.523237 34.368625 0.48044222E+03 0.11233689E+05 8.392795 6.772649 0.314805 2.168152 0.996500 26.751543 69.437142 0.731674 0.358020 -1.139333 0.005886 0.021441 0.016206 0.027514 -0.022389 -0.013027 -0.032572 0.069521 0.106170 -0.070566 0.023247 0.047319 9.583567 5.425865 1.273221 -1.811285 9.957649 -3.278232 13.367186 0.000001 229 O 11.306512 10.418010 1.990504 -0.537538 39.939000 0.64123651E+03 0.16162960E+05 9.386877 7.923074 -0.322100 1.945871 0.994932 28.282330 76.955686 0.661916 0.367114 -1.128886 0.009825 -0.052724 0.041479 0.067801 0.006438 0.025919 -0.011101 -0.067000 -0.107755 -0.055116 0.002103 0.053013 10.474241 7.241521 -1.559112 0.601992 12.279149 -1.546223 11.902053 0.000001 230 O 10.895722 9.003387 3.620267 -0.539632 27.436699 0.44944889E+03 0.10338093E+05 7.067631 6.469896 0.640609 2.225927 0.999455 27.895245 71.878948 0.762431 0.349257 -1.146098 0.002058 0.033023 -0.039927 0.051855 0.085179 -0.017261 0.017692 0.162049 0.239308 -0.159669 0.070727 0.088942 7.238576 5.747676 0.369710 -1.710615 6.435163 -1.290283 9.532889 -0.000002 231 O 4.157977 2.215565 11.680196 -0.539299 37.155937 0.50546741E+03 0.11961746E+05 8.829168 6.943329 0.384017 2.182815 0.998025 27.019369 70.399874 0.723654 0.357663 -1.140386 -0.002770 -0.000706 0.022267 0.022450 -0.018422 -0.020901 -0.046974 0.091570 -0.016351 -0.080511 0.024772 0.055739 10.474998 6.365570 -2.173339 1.708526 15.790039 -3.885375 9.269384 0.000001 232 O 5.065448 1.849996 13.704992 -0.562204 36.432640 0.52962455E+03 0.12676159E+05 8.688466 7.082380 0.333243 2.154821 0.997952 27.551153 72.111345 0.720551 0.355158 -1.142787 -0.009442 0.023310 -0.030184 0.039289 0.025581 0.001266 0.042685 0.058803 0.064168 -0.067752 0.018292 0.049460 10.255372 6.050345 1.095740 1.785736 11.576483 5.446312 13.139287 0.000000 233 O 4.221713 6.297667 10.953074 -0.569600 42.178874 0.58835382E+03 0.14458834E+05 9.690278 7.536625 0.220406 2.118084 0.996630 27.982445 74.246324 0.688438 0.362032 -1.137173 -0.005037 0.013305 -0.016846 0.022050 -0.013848 -0.017620 -0.057176 0.086489 -0.001571 -0.086290 0.035589 0.050701 12.026114 6.206902 0.918776 -0.164826 18.155526 -6.309061 11.715915 0.000000 234 O 4.254795 6.891468 8.747118 -0.523213 34.367932 0.48043644E+03 0.11233535E+05 8.392711 6.772633 0.314877 2.168174 0.996511 26.751339 69.436869 0.731670 0.358023 -1.139329 -0.005893 -0.021443 0.016198 0.027512 -0.022364 0.013032 0.032582 0.069523 0.106124 -0.070555 0.023239 0.047316 9.583427 5.425793 1.273257 1.811188 9.957807 3.277959 13.366681 0.000001 235 O 3.868588 4.757090 13.270704 -0.537538 39.938931 0.64123621E+03 0.16162950E+05 9.386865 7.923072 -0.322097 1.945872 0.994932 28.282322 76.955653 0.661916 0.367114 -1.128886 -0.009825 0.052723 0.041481 0.067801 0.006438 -0.025920 0.011101 -0.067000 -0.107751 -0.055117 0.002104 0.053013 10.474214 7.241503 -1.559105 -0.601994 12.279118 1.546206 11.902021 0.000000 236 O 4.279378 6.171713 14.900467 -0.539626 27.436304 0.44944067E+03 0.10337854E+05 7.067555 6.469829 0.640624 2.225935 0.999455 27.895078 71.878278 0.762436 0.349257 -1.146099 -0.002060 -0.033023 -0.039923 0.051852 0.085178 0.017260 -0.017690 0.162049 0.239310 -0.159669 0.070727 0.088942 7.238490 5.747615 0.369707 1.710595 6.435088 1.290266 9.532766 -0.000002 ****************************************************** Auxiliary information for the entire system The total spin magnetic moment of the unit cell is -0.000032 The total net atomic charge of the unit cell is 0.000003 Accuracy of reproducing the electrostatic potential in the unit cell: The inner radius (bohr) = 5.0000 The outer radius (bohr) = 12.0000 Valid grid points have density less than (e/(bohr^3)) = 0.0001 The number of valid grid points were= 395698 The rms potential error without charges in kcal/mol is= 5.98738 The rms potential error with partial charges in kcal/mol is= 0.70222 The RRMSE value at monopole order= 0.11728 The rms potential error with partial charges and cloud penetration in kcal/mol is= 0.69350 The RRMSE value at monopole order with cloud penetration is= 0.11583 The rms potential error with partial charges and atomic dipoles in kcal/mol is= 0.58433 The RRMSE value at dipole order= 0.09759 The rms potential error with partial charges, atomic dipoles and cloud penetration in kcal/mol is= 0.56831 The RRMSE value at dipole order with cloud penetration= 0.09492 ****************************************************** 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.