216 jmolscript: load "" {1 1 1} spacegroup "x,y,z" unitcell [{ 8.799400 0.000000 0.000000 }, { -0.017056 8.803883 0.000000 }, { 0.000000 0.000000 53.888000 }] Zn 6.447802 7.245860 40.226853 0.876960 Zn 6.783566 6.938516 43.224643 0.872296 Zn 3.786603 5.835742 29.556490 0.843476 Zn 5.306576 3.265184 53.568444 0.850839 Zn 2.334542 1.558023 13.282853 0.876960 Zn 1.998778 1.865367 16.280643 0.872296 Zn 4.995741 2.968141 2.612490 0.843476 Zn 3.475768 5.538699 26.624444 0.850839 H 7.680820 0.544960 38.093427 0.150822 H 6.359347 0.897996 38.853248 0.150657 H 5.728872 2.486217 37.263552 0.120245 H 7.280631 2.721280 37.376717 0.129417 H 7.643191 1.346114 35.549914 0.047496 H 5.884962 0.493898 34.261990 0.042842 H 4.778601 5.178444 36.153459 0.130557 H 5.380836 5.448723 38.352090 0.106104 H 5.402496 4.715360 31.777754 0.106458 H 5.982378 5.168760 33.944051 0.129891 H 3.497477 8.322311 33.852442 0.134326 H 3.070741 7.850422 31.653811 0.106428 H 6.771008 2.792592 34.148826 0.385502 H 4.351860 1.983515 34.817037 0.383305 H -0.042247 8.180568 45.837133 0.149239 H 0.184096 7.169882 44.656986 0.144470 H 1.686181 5.792955 46.095795 0.130985 H 2.248239 7.271127 46.111962 0.131185 H 0.820122 7.712202 48.078874 0.067158 H 8.710047 5.697873 49.102746 0.043279 H 4.650679 4.894959 47.125056 0.135501 H 5.100154 5.439039 44.872538 0.105910 H 4.653979 5.462809 51.770202 0.100782 H 4.509810 5.844018 49.420685 0.140956 H 7.559492 3.216939 49.124301 0.137035 H 6.737688 2.277565 51.112768 0.103875 H 2.235699 6.477017 49.275187 0.382334 H 1.198463 4.095566 48.262093 0.387701 H 2.271715 6.962991 42.986458 0.136868 H 2.117338 7.162839 40.238170 0.138706 H 6.493274 2.623557 43.212787 0.131017 H 6.728895 2.728323 40.459110 0.131342 H 8.037791 5.688189 29.439014 0.126128 H 8.016894 5.573738 26.739226 0.126225 H 3.676582 1.263357 26.744614 0.126445 H 3.680031 1.299453 29.482125 0.129099 H 1.101524 8.258923 11.149427 0.150822 H 2.422997 7.905887 11.909248 0.150657 H 3.053472 6.317666 10.319552 0.120245 H 1.501713 6.082603 10.432717 0.129417 H 1.139153 7.457769 8.605914 0.047496 H 2.897382 8.309985 7.317990 0.042842 H 4.003743 3.625439 9.209459 0.130557 H 3.401508 3.355160 11.408090 0.106104 H 3.379848 4.088523 4.833754 0.106458 H 2.799966 3.635123 7.000051 0.129890 H 5.284867 0.481572 6.908442 0.134326 H 5.711603 0.953461 4.709811 0.106428 H 2.011336 6.011291 7.204826 0.385502 H 4.430484 6.820368 7.873037 0.383305 H 0.025191 0.623315 18.893133 0.149239 H 8.598248 1.634001 17.712986 0.144470 H 7.096163 3.010928 19.151795 0.130985 H 6.534105 1.532756 19.167962 0.131185 H 7.962222 1.091681 21.134874 0.067158 H 0.072297 3.106010 22.158746 0.043279 H 4.131665 3.908924 20.181056 0.135501 H 3.682190 3.364844 17.928538 0.105910 H 4.128365 3.341074 24.826202 0.100782 H 4.272534 2.959865 22.476685 0.140956 H 1.222852 5.586944 22.180301 0.137035 H 2.044656 6.526318 24.168768 0.103875 H 6.546645 2.326866 22.331187 0.382334 H 7.583881 4.708317 21.318093 0.387701 H 6.510629 1.840892 16.042458 0.136868 H 6.665006 1.641044 13.294170 0.138706 H 2.289070 6.180326 16.268787 0.131017 H 2.053449 6.075560 13.515110 0.131342 H 0.744553 3.115694 2.495014 0.126128 H 0.765450 3.230145 53.683226 0.126225 H 5.105762 7.540526 53.688614 0.126445 H 5.102313 7.504430 2.538125 0.129099 C 6.068539 8.385699 37.381028 0.265752 C 6.738899 0.743928 37.975951 -0.288753 C 6.599031 2.084759 37.113743 -0.232979 C 6.756325 1.741408 35.681400 0.176165 C 5.694417 0.740407 35.192636 0.121143 C 5.661311 8.290617 36.052150 -0.076098 C 5.170005 7.082724 35.562847 0.075446 C 5.093785 6.001607 36.448765 -0.196728 C 5.487693 6.159197 37.759860 0.126182 C 5.027090 5.454006 32.198619 0.093447 C 5.374160 5.715481 33.501092 -0.195328 C 4.798290 6.824770 34.162836 0.125741 C 3.913336 7.595990 33.447743 -0.194015 C 3.642028 7.289615 32.130181 0.110044 C 7.796067 6.462931 46.077473 0.284122 C 0.102995 7.245596 45.616192 -0.301284 C 1.490817 6.710320 46.343680 -0.240335 C 1.143898 6.825650 47.814822 0.170254 C 0.139525 5.649452 48.154317 0.110207 C 7.676562 5.922372 47.338991 -0.101948 C 6.536513 5.285851 47.736146 0.085646 C 5.482480 5.216301 46.855616 -0.198565 C 5.714820 5.652093 45.535360 0.124165 C 5.102936 4.911686 51.172045 0.097849 C 5.148819 5.300818 49.824845 -0.199740 C 6.299939 4.764661 49.129690 0.112259 C 6.885516 3.641286 49.607676 -0.200558 C 6.454468 3.123618 50.850333 0.107939 C 4.042846 7.059834 41.946419 0.647635 C 2.614751 7.035183 42.129638 -0.184755 C 1.766336 7.114418 41.096605 -0.177820 C 0.307370 7.127624 41.256653 0.648276 C 6.645562 0.776502 42.246575 0.656613 C 6.584623 2.254674 42.365129 -0.179239 C 6.653403 3.088402 41.315930 -0.203489 C 6.614531 4.530478 41.467355 0.679212 C 1.162893 5.650332 28.450170 0.674715 C 8.410939 5.660897 28.588123 -0.193251 C 7.639284 5.633605 27.584728 -0.203710 C 6.163512 5.691710 27.694660 0.674568 C 3.533807 8.192013 27.712443 0.670678 C 3.636836 0.885671 27.595506 -0.183176 C 3.657301 1.677140 28.633928 -0.192734 C 3.646532 3.148269 28.509985 0.646606 C 2.713805 0.418184 10.437028 0.265752 C 2.043445 8.059955 11.031951 -0.288753 C 2.183313 6.719124 10.169743 -0.232979 C 2.026019 7.062475 8.737400 0.176166 C 3.087927 8.063476 8.248636 0.121143 C 3.121033 0.513266 9.108150 -0.076098 C 3.612339 1.721159 8.618847 0.075446 C 3.688559 2.802276 9.504765 -0.196728 C 3.294651 2.644686 10.815860 0.126182 C 3.755254 3.349877 5.254619 0.093447 C 3.408184 3.088402 6.557092 -0.195328 C 3.984054 1.979113 7.218836 0.125741 C 4.869008 1.207893 6.503743 -0.194015 C 5.140316 1.514268 5.186181 0.110044 C 0.986277 2.340952 19.133473 0.284122 C 8.679349 1.558287 18.672192 -0.301283 C 7.291527 2.093563 19.399680 -0.240335 C 7.638446 1.978233 20.870822 0.170254 C 8.642819 3.154431 21.210317 0.110207 C 1.105782 2.881511 20.394991 -0.101948 C 2.245831 3.518032 20.792146 0.085646 C 3.299864 3.587582 19.911616 -0.198566 C 3.067524 3.151790 18.591360 0.124165 C 3.679408 3.892197 24.228045 0.097849 C 3.633525 3.503065 22.880845 -0.199740 C 2.482405 4.039222 22.185690 0.112259 C 1.896828 5.162597 22.663676 -0.200558 C 2.327876 5.680265 23.906333 0.107939 C 4.739498 1.744049 15.002419 0.647635 C 6.167593 1.768700 15.185638 -0.184755 C 7.016008 1.689465 14.152605 -0.177820 C 8.474974 1.676259 14.312653 0.648276 C 2.136782 8.027381 15.302575 0.656613 C 2.197721 6.549209 15.421129 -0.179239 C 2.128941 5.715481 14.371930 -0.203489 C 2.167813 4.273405 14.523355 0.679212 C 7.619451 3.153551 1.506170 0.674715 C 0.371405 3.142986 1.644123 -0.193251 C 1.143060 3.170278 0.640728 -0.203710 C 2.618832 3.112173 0.750660 0.674568 C 5.248537 0.611870 0.768443 0.670678 C 5.145508 7.918212 0.651506 -0.183176 C 5.125043 7.126743 1.689928 -0.192734 C 5.135812 5.655614 1.565985 0.646606 N 6.020484 7.301060 38.213059 -0.255510 N 4.157965 6.230508 31.500769 -0.184637 N 6.787850 6.362566 45.220654 -0.253758 N 5.662072 3.810321 51.643565 -0.177747 N 2.761860 1.502823 11.269059 -0.255510 N 4.624379 2.573375 4.556769 -0.184637 N 1.994494 2.441317 18.276654 -0.253758 N 3.120272 4.993562 24.699565 -0.177747 O 6.686223 2.952822 34.946907 -0.571157 O 4.385740 1.301214 35.273468 -0.549970 O 2.338727 6.438280 48.461478 -0.575633 O 0.521411 4.291013 47.841766 -0.535241 O 4.541044 6.981479 40.758728 -0.583588 O 4.729992 7.104734 43.005857 -0.568787 O 8.415447 7.421673 40.190748 -0.583220 O 8.586231 6.928656 42.371596 -0.558712 O 6.371112 0.275562 41.137560 -0.575828 O 6.856228 0.136460 43.311941 -0.567600 O 6.653682 5.215420 40.430550 -0.589412 O 6.615365 5.008529 42.600081 -0.584384 O 1.776907 5.745414 29.477814 -0.560931 O 1.577446 5.598389 27.307205 -0.578282 O 5.691752 5.749816 28.844091 -0.584437 O 5.499258 5.639767 26.648694 -0.581337 O 3.664949 7.721886 28.841935 -0.575447 O 3.478721 7.557253 26.654083 -0.568808 O 3.822109 3.814723 29.578045 -0.567695 O 3.609462 3.660655 27.337382 -0.581901 O 2.096121 5.851061 8.002907 -0.571157 O 4.396604 7.502669 8.329468 -0.549970 O 6.443617 2.365603 21.517478 -0.575633 O 8.260933 4.512870 20.897766 -0.535241 O 4.241300 1.822404 13.814728 -0.583588 O 4.052352 1.699149 16.061857 -0.568787 O 0.366897 1.382210 13.246748 -0.583220 O 0.196113 1.875227 15.427596 -0.558712 O 2.411232 8.528321 14.193560 -0.575828 O 1.926116 8.667423 16.367941 -0.567600 O 2.128662 3.588463 13.486550 -0.589412 O 2.166979 3.795354 15.656081 -0.584384 O 7.005437 3.058469 2.533814 -0.560931 O 7.204898 3.205494 0.363205 -0.578282 O 3.090592 3.054067 1.900091 -0.584437 O 3.283086 3.164116 53.592694 -0.581337 O 5.117395 1.081997 1.897935 -0.575447 O 5.303623 1.246630 53.598083 -0.568808 O 4.960235 4.989160 2.634045 -0.567695 O 5.172882 5.143228 0.393382 -0.581901 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 6.447802 7.245860 40.226853 0.876960 100.676614 0.19323339E+04 0.62066357E+05 17.971056 14.633377 0.197753 1.926110 0.996488 46.656029 128.505867 0.458874 0.415564 -1.131580 -0.004212 0.005876 -0.008850 0.011428 0.000486 -0.012678 0.014485 -0.047608 -0.293457 -0.100322 0.026379 0.073942 22.045416 22.416326 0.232756 2.131846 20.075637 -0.655280 23.644284 0.000002 2 Zn 6.783566 6.938516 43.224643 0.872296 101.896391 0.19637027E+04 0.63253642E+05 17.999927 14.656248 0.244346 1.938555 0.996711 46.642303 128.155826 0.463548 0.410205 -1.136599 0.007545 -0.001845 0.003302 0.008440 -0.001678 -0.011796 0.019066 0.046908 -0.281938 -0.097767 0.026281 0.071486 22.080282 20.407121 -0.100763 0.162787 22.452507 -3.048721 23.381218 -0.000000 3 Zn 3.786603 5.835742 29.556490 0.843476 105.296934 0.20126493E+04 0.65231845E+05 18.262722 14.698604 0.272375 1.943774 0.995994 47.167912 130.009252 0.469461 0.402546 -1.141944 0.006089 -0.000645 0.009949 0.011682 -0.016297 -0.014893 -0.018958 -0.007094 -0.295323 -0.102696 0.036598 0.066098 22.666745 21.424044 0.737476 2.387770 21.665843 1.983201 24.910347 0.000002 4 Zn 5.306576 3.265184 53.568444 0.850839 104.050135 0.19927612E+04 0.64438208E+05 18.141412 14.636359 0.266864 1.944262 0.995945 46.992561 129.449243 0.469868 0.403127 -1.141336 -0.005076 -0.002054 -0.015127 0.016088 -0.015177 0.013453 0.032759 -0.019533 -0.275760 -0.100815 0.033261 0.067554 22.474654 21.384117 1.016521 -1.489605 22.270600 -3.560050 23.769245 -0.000001 5 Zn 2.334542 1.558023 13.282853 0.876960 100.676614 0.19323339E+04 0.62066358E+05 17.971056 14.633377 0.197753 1.926110 0.996488 46.656029 128.505867 0.458874 0.415564 -1.131580 0.004212 -0.005876 -0.008850 0.011428 0.000486 0.012678 -0.014485 -0.047608 -0.293457 -0.100322 0.026379 0.073942 22.045416 22.416326 0.232756 -2.131846 20.075637 0.655281 23.644284 0.000002 6 Zn 1.998778 1.865367 16.280643 0.872296 101.896394 0.19637028E+04 0.63253646E+05 17.999927 14.656248 0.244346 1.938555 0.996711 46.642304 128.155828 0.463548 0.410205 -1.136599 -0.007545 0.001845 0.003302 0.008440 -0.001678 0.011796 -0.019066 0.046908 -0.281938 -0.097767 0.026281 0.071486 22.080282 20.407121 -0.100762 -0.162787 22.452507 3.048721 23.381218 -0.000000 7 Zn 4.995741 2.968141 2.612490 0.843476 105.296935 0.20126492E+04 0.65231844E+05 18.262722 14.698604 0.272375 1.943774 0.995994 47.167912 130.009252 0.469461 0.402546 -1.141944 -0.006089 0.000645 0.009949 0.011682 -0.016297 0.014893 0.018958 -0.007094 -0.295323 -0.102696 0.036598 0.066098 22.666745 21.424045 0.737476 -2.387770 21.665844 -1.983201 24.910346 0.000002 8 Zn 3.475768 5.538699 26.624444 0.850839 104.050135 0.19927612E+04 0.64438207E+05 18.141412 14.636359 0.266864 1.944262 0.995945 46.992561 129.449243 0.469868 0.403127 -1.141336 0.005076 0.002054 -0.015127 0.016088 -0.015177 -0.013453 -0.032759 -0.019533 -0.275760 -0.100815 0.033261 0.067554 22.474654 21.384117 1.016521 1.489605 22.270600 3.560050 23.769245 -0.000001 9 H 7.680820 0.544960 38.093427 0.150822 1.066051 0.83276639E+01 0.81745616E+02 1.681358 1.653533 -0.721540 2.551869 0.999573 3.203642 8.675884 0.506794 1.231215 -0.723110 0.029292 -0.002712 0.006469 0.030120 0.000853 0.001034 0.000910 0.010398 -0.025953 -0.008804 -0.000857 0.009661 1.689801 2.054784 -0.113546 0.164525 1.498953 -0.074320 1.515665 0.000002 10 H 6.359347 0.897996 38.853248 0.150657 1.014903 0.73117569E+01 0.70355478E+02 1.688049 1.590780 -0.997254 2.413843 0.997851 3.418045 9.548843 0.490456 1.297866 -0.704726 -0.014984 0.007607 0.023380 0.028793 0.000141 -0.006119 0.002683 0.007839 -0.017266 -0.009053 -0.000310 0.009363 1.751066 1.372013 -0.025784 -0.215775 1.535150 0.144940 2.346036 0.000000 11 H 5.728872 2.486217 37.263552 0.120245 1.130630 0.90238526E+01 0.90176264E+02 1.726259 1.702693 -0.687801 2.542118 0.999705 3.355012 9.101506 0.508738 1.204792 -0.728648 -0.023052 0.008350 0.005594 0.025148 -0.007050 -0.010417 -0.001414 0.003390 -0.000684 -0.012856 0.000170 0.012686 1.726466 1.867323 -0.319242 -0.078720 1.778870 0.082207 1.533203 0.000001 12 H 7.280631 2.721280 37.376717 0.129417 1.108552 0.83008754E+01 0.80699068E+02 1.666743 1.604861 -0.627653 2.580845 0.999940 3.143357 8.229995 0.541476 1.163542 -0.739927 0.021990 0.016628 0.006206 0.028259 0.006944 0.003642 0.000130 0.009085 -0.001218 -0.008448 -0.001137 0.009585 1.693668 1.677110 0.381637 0.180265 1.884956 0.189032 1.518938 0.000003 13 H 7.643191 1.346114 35.549914 0.047496 1.318033 0.10797048E+02 0.11097657E+03 1.782669 1.758052 -0.724554 2.496011 0.998798 3.527518 9.189930 0.555125 1.073469 -0.762607 0.047403 -0.011382 0.001194 0.048765 -0.001618 0.000353 -0.002257 0.009009 -0.005015 -0.005270 -0.000431 0.005701 1.775388 2.140774 -0.247799 -0.117369 1.639262 0.003755 1.546129 0.000004 14 H 5.884962 0.493898 34.261990 0.042842 1.633421 0.13962167E+02 0.15424758E+03 2.117111 2.044925 -1.080567 2.318782 0.995623 3.960326 10.975868 0.493636 1.123138 -0.748105 0.007198 -0.011247 -0.043973 0.045955 -0.006011 -0.008358 -0.002052 0.011106 0.017085 -0.012755 -0.000206 0.012961 2.144653 1.698069 0.087703 -0.067125 2.010231 0.333457 2.725658 0.000003 15 H 4.778601 5.178444 36.153459 0.130557 1.166592 0.84307383E+01 0.83105991E+02 1.774011 1.656080 -1.050953 2.391843 0.997582 3.349563 9.123693 0.509344 1.219911 -0.723962 -0.012148 -0.032322 -0.008347 0.035524 0.011042 0.005066 -0.004411 -0.016028 0.009811 -0.017348 0.004988 0.012360 1.834982 1.437609 0.237093 0.111555 2.349641 0.268950 1.717696 0.000002 16 H 5.380836 5.448723 38.352090 0.106104 1.256447 0.87545349E+01 0.87205533E+02 1.873844 1.690948 -1.046854 2.386813 0.997463 3.446466 9.469047 0.502038 1.224782 -0.722488 -0.011553 -0.037015 0.029287 0.048593 0.014752 -0.002134 -0.002446 -0.021219 -0.005430 -0.017306 -0.002235 0.019541 1.991615 1.421255 0.050648 0.004876 2.254385 -0.604645 2.299205 0.000001 17 H 5.402496 4.715360 31.777754 0.106458 1.249390 0.89479210E+01 0.89150723E+02 1.837360 1.690679 -0.939959 2.440857 0.998372 3.337346 9.014263 0.513183 1.197930 -0.730329 0.023154 -0.038256 -0.022523 0.050069 -0.019191 0.004583 0.004906 -0.004711 -0.000427 -0.021369 0.001941 0.019428 1.913713 1.567821 -0.315874 -0.149077 2.142568 0.470485 2.030749 0.000002 18 H 5.982378 5.168760 33.944051 0.129891 1.155148 0.83072484E+01 0.81933903E+02 1.777638 1.653077 -1.268283 2.285960 0.995398 3.494460 9.653809 0.503430 1.233560 -0.718896 0.027198 -0.018556 0.014913 0.036145 -0.012360 0.002893 0.010314 0.004403 0.005038 -0.018320 0.004390 0.013930 1.839160 1.692958 -0.418824 0.318764 1.943422 -0.315408 1.881099 0.000002 19 H 3.497477 8.322311 33.852442 0.134326 1.084373 0.78274182E+01 0.75394994E+02 1.650325 1.564839 -1.086229 2.368485 0.998076 3.275934 8.690114 0.542038 1.173146 -0.734414 -0.019075 0.022830 0.014552 0.033118 -0.014224 0.003002 -0.004692 0.009919 0.014280 -0.017646 0.002389 0.015257 1.679460 1.504313 -0.223818 -0.057470 1.880599 0.382972 1.653470 0.000003 20 H 3.070741 7.850422 31.653811 0.106428 1.219448 0.86115493E+01 0.84615559E+02 1.782626 1.639159 -0.846869 2.485360 0.999285 3.229156 8.540457 0.532776 1.170017 -0.737822 -0.030520 0.031441 -0.023639 0.049787 -0.017016 0.006804 0.003285 -0.008433 -0.003903 -0.019832 0.001509 0.018324 1.854479 1.783963 -0.369199 0.431856 1.760052 -0.329193 2.019422 0.000003 21 H 6.771008 2.792592 34.148826 0.385502 0.510788 0.31180593E+01 0.24150739E+02 1.058937 1.036235 -1.148025 2.493802 0.999924 2.089518 5.170884 0.612345 1.291408 -0.708366 0.005411 -0.001559 -0.032889 0.033368 -0.003484 -0.004425 -0.004076 -0.024964 0.061021 -0.023688 0.002171 0.021517 1.063772 0.896883 0.000217 -0.040779 0.997691 -0.085639 1.296743 0.000002 22 H 4.351860 1.983515 34.817037 0.383305 0.517312 0.31639385E+01 0.24696852E+02 1.079158 1.052669 -1.211408 2.454837 0.999923 2.168882 5.460821 0.597456 1.313369 -0.702498 -0.011123 0.024451 -0.015030 0.030781 -0.017832 0.000537 -0.013225 0.003489 -0.020448 -0.021522 -0.002791 0.024312 1.087899 0.976402 -0.088665 0.065217 1.290741 -0.171132 0.996555 0.000001 23 H -0.042247 8.180568 45.837133 0.149239 1.023881 0.78378971E+01 0.75452595E+02 1.607876 1.581108 -0.635840 2.589134 0.999943 3.109835 8.222692 0.531957 1.196064 -0.731535 -0.004292 0.026570 0.000486 0.026919 -0.000843 -0.001459 0.003038 -0.007184 -0.026169 -0.009424 0.000783 0.008641 1.614493 1.381184 -0.049098 0.029997 2.024065 0.095689 1.438231 -0.000002 24 H 0.184096 7.169882 44.656986 0.144470 0.976680 0.68093846E+01 0.64543967E+02 1.653472 1.539873 -1.071311 2.373155 0.997221 3.497719 9.786192 0.494841 1.305849 -0.701704 0.006497 -0.003026 -0.025668 0.026649 0.003003 -0.002427 -0.000309 -0.005890 -0.007697 -0.004937 -0.000745 0.005683 1.725820 1.463183 0.016620 -0.077238 1.292968 -0.021117 2.421307 -0.000000 25 H 1.686181 5.792955 46.095795 0.130985 1.133009 0.92076468E+01 0.92484011E+02 1.731752 1.724588 -0.796260 2.500562 0.999443 3.326665 9.049624 0.503425 1.211304 -0.727619 0.004864 -0.023945 -0.009924 0.026373 -0.005229 0.001307 0.010540 -0.001762 0.009717 -0.012018 -0.000352 0.012370 1.718551 1.638434 -0.146145 -0.087660 1.945557 0.127186 1.571663 -0.000001 26 H 2.248239 7.271127 46.111962 0.131185 1.112560 0.82220023E+01 0.79823276E+02 1.674354 1.599813 -0.637288 2.574804 0.999964 3.159128 8.293288 0.540458 1.167325 -0.738572 0.020944 0.016018 -0.005402 0.026915 0.006308 -0.001131 -0.002863 -0.005506 -0.005258 -0.006111 -0.002526 0.008636 1.713786 2.072413 0.373704 -0.207556 1.576329 -0.149710 1.492617 -0.000002 27 H 0.820122 7.712202 48.078874 0.067158 1.247543 0.98455522E+01 0.98800401E+02 1.712956 1.675258 -0.647325 2.540937 0.999695 3.380072 8.675342 0.570996 1.068943 -0.764101 -0.009713 0.049136 0.008491 0.050801 -0.001904 0.001022 0.004076 -0.010005 -0.007896 -0.005672 -0.002396 0.008068 1.715269 1.536590 -0.214168 -0.011211 2.085887 0.209969 1.523332 -0.000004 28 H 8.710047 5.697873 49.102746 0.043279 1.630547 0.13999696E+02 0.15506369E+03 2.130124 2.060367 -1.089149 2.315727 0.995933 3.983693 11.124553 0.486309 1.137109 -0.744365 -0.013083 0.000986 0.045364 0.047223 -0.004872 0.001191 0.008237 -0.013303 0.027386 -0.013512 -0.001170 0.014682 2.156969 2.017996 0.122365 -0.266867 1.702814 -0.056973 2.750095 -0.000002 29 H 4.650679 4.894959 47.125056 0.135501 1.160800 0.83428743E+01 0.82078254E+02 1.774490 1.652868 -1.035952 2.401402 0.997935 3.323007 9.061739 0.506993 1.227982 -0.722299 -0.032722 -0.008455 0.009749 0.035174 0.009447 0.003843 -0.003728 0.018766 0.014609 -0.016870 0.005231 0.011640 1.839452 2.393521 0.251670 -0.259777 1.442413 -0.111487 1.682423 -0.000002 30 H 5.100154 5.439039 44.872538 0.105910 1.247559 0.87308624E+01 0.86640366E+02 1.843472 1.673648 -1.032902 2.391474 0.997799 3.393129 9.210569 0.513027 1.203102 -0.727987 -0.032646 -0.018719 -0.034773 0.051238 0.018282 0.005986 0.003505 0.018505 -0.000168 -0.020463 -0.002174 0.022637 1.948147 2.029924 0.129133 0.555079 1.464153 0.098481 2.350365 -0.000001 31 H 4.653979 5.462809 51.770202 0.100782 1.209819 0.85614220E+01 0.84634941E+02 1.813324 1.663014 -0.946167 2.429213 0.998616 3.396722 9.235207 0.511476 1.211370 -0.725958 -0.020035 0.033557 0.030938 0.049846 -0.018555 -0.003372 0.001094 -0.010595 -0.005770 -0.018586 -0.002048 0.020634 1.898885 1.647139 -0.296280 -0.366990 1.768578 0.403859 2.280939 -0.000001 32 H 4.509810 5.844018 49.420685 0.140956 1.131651 0.79950546E+01 0.78460630E+02 1.781287 1.642811 -1.320730 2.267430 0.994709 3.520825 9.848089 0.493050 1.265858 -0.711012 -0.027852 0.015125 -0.014804 0.034981 -0.010560 -0.008891 0.000182 0.009062 0.017538 -0.015591 0.000417 0.015175 1.856314 2.099658 -0.453783 0.356363 1.644009 -0.279940 1.825274 -0.000001 33 H 7.559492 3.216939 49.124301 0.137035 1.056190 0.76032261E+01 0.72663167E+02 1.617587 1.539687 -1.056781 2.382537 0.998662 3.235010 8.531742 0.548140 1.169226 -0.735456 0.022446 -0.019184 -0.019141 0.035188 -0.014169 -0.001416 -0.001743 -0.019266 0.001749 -0.017660 0.000770 0.016890 1.643893 1.774987 -0.206214 -0.389183 1.527889 0.095081 1.628804 -0.000002 34 H 6.737688 2.277565 51.112768 0.103875 1.244474 0.88168700E+01 0.87062828E+02 1.801400 1.655504 -0.822315 2.496113 0.999350 3.235545 8.552215 0.532121 1.165674 -0.739204 0.014925 -0.045473 0.013249 0.049660 -0.014400 -0.008583 -0.003117 -0.013625 -0.005363 -0.019544 0.002485 0.017059 1.866372 1.498879 -0.281454 0.046286 2.374963 -0.390258 1.725275 -0.000003 35 H 2.235699 6.477017 49.275187 0.382334 0.514473 0.31442771E+01 0.24424289E+02 1.067386 1.043008 -1.147411 2.491575 0.999906 2.109305 5.241018 0.607742 1.297434 -0.706978 -0.000949 0.001023 0.033211 0.033240 -0.009037 0.003903 0.000886 0.019787 0.061032 -0.023686 0.002613 0.021073 1.074912 1.029153 -0.014044 0.115246 0.893557 -0.003776 1.302025 -0.000002 36 H 1.198463 4.095566 48.262093 0.387701 0.514623 0.31406282E+01 0.24388770E+02 1.063064 1.039647 -1.199182 2.465127 0.999916 2.116564 5.258215 0.611147 1.290585 -0.707917 0.023347 -0.016623 0.013536 0.031696 -0.018036 0.011919 0.000242 -0.009039 -0.027435 -0.021877 -0.002905 0.024781 1.068208 1.234979 -0.136822 0.130909 1.015664 -0.072654 0.953983 -0.000002 37 H 2.271715 6.962991 42.986458 0.136868 0.940525 0.67069834E+01 0.62844844E+02 1.567234 1.497252 -1.065847 2.391632 0.997592 3.291486 8.927752 0.521519 1.253412 -0.714437 -0.014664 -0.003410 0.029644 0.033248 -0.001028 -0.005411 -0.002248 -0.000435 0.031190 -0.008031 -0.004239 0.012270 1.600544 1.674576 0.015772 -0.281942 1.203700 -0.063542 1.923355 -0.000001 38 H 2.117338 7.162839 40.238170 0.138706 1.159459 0.88660380E+01 0.88400959E+02 1.757600 1.689740 -1.257759 2.299487 0.995597 3.383215 9.232978 0.508671 1.207652 -0.726638 0.014920 0.000900 -0.030993 0.034409 0.002050 -0.003006 -0.000439 -0.003171 0.036854 -0.009036 -0.003722 0.012758 1.778662 1.909457 0.002339 -0.278253 1.354942 -0.044180 2.071587 0.000002 39 H 6.493274 2.623557 43.212787 0.131017 1.125675 0.85497159E+01 0.84567363E+02 1.726192 1.660801 -1.192544 2.322934 0.996577 3.405569 9.289516 0.511847 1.209803 -0.725532 -0.004549 0.015277 0.030300 0.034237 0.000020 -0.003156 0.002560 0.001769 0.031804 -0.006702 -0.004889 0.011591 1.749526 1.336690 -0.036518 -0.065575 1.875897 0.291563 2.035992 -0.000002 40 H 6.728895 2.728323 40.459110 0.131342 0.979517 0.70187522E+01 0.66604380E+02 1.617385 1.536579 -1.074340 2.381797 0.997262 3.379187 9.263297 0.511661 1.261482 -0.712361 0.002965 -0.015561 -0.029476 0.033463 -0.003243 -0.002067 0.004829 -0.001403 0.031745 -0.008739 -0.003712 0.012451 1.658408 1.228118 -0.020791 -0.034080 1.735757 0.326838 2.011351 0.000000 41 H 8.037791 5.688189 29.439014 0.126128 1.171943 0.89736683E+01 0.89686960E+02 1.758269 1.689882 -1.227068 2.299260 0.996170 3.459660 9.433065 0.513538 1.193367 -0.729269 -0.016223 -0.000002 0.025247 0.030011 0.000446 -0.001320 -0.001034 -0.003023 0.029439 -0.006566 -0.003438 0.010005 1.780313 1.871132 -0.008292 -0.278408 1.350390 0.024947 2.119418 0.000001 42 H 8.016894 5.573738 26.739226 0.126225 1.199920 0.91958398E+01 0.92614137E+02 1.798175 1.719715 -1.287619 2.271520 0.995900 3.502908 9.636161 0.504275 1.206016 -0.726226 0.015963 -0.002512 -0.023975 0.028912 -0.000543 -0.002622 0.001306 -0.001489 0.024993 -0.005454 -0.003531 0.008986 1.827888 1.944216 -0.028150 -0.305367 1.375296 0.066396 2.164152 -0.000002 43 H 3.676582 1.263357 26.744614 0.126445 1.120290 0.83943365E+01 0.82788348E+02 1.726931 1.649003 -1.189728 2.318575 0.996579 3.460399 9.476704 0.511253 1.214752 -0.723586 0.004751 0.015996 -0.027397 0.032078 0.001115 -0.003258 -0.003426 0.002558 0.030848 -0.007176 -0.004530 0.011707 1.764156 1.325650 0.017179 -0.021170 1.871469 -0.323030 2.095349 -0.000001 44 H 3.680031 1.299453 29.482125 0.129099 1.148839 0.86573997E+01 0.85947975E+02 1.750433 1.670775 -1.291664 2.274164 0.995903 3.457092 9.464348 0.510244 1.209149 -0.725232 0.003493 -0.015799 0.026537 0.031081 -0.000190 0.000357 -0.003458 0.002191 0.029619 -0.006756 -0.003847 0.010603 1.786038 1.339804 -0.005858 0.030191 1.892939 -0.313114 2.125372 0.000001 45 H 1.101524 8.258923 11.149427 0.150822 1.066051 0.83276639E+01 0.81745616E+02 1.681358 1.653533 -0.721540 2.551869 0.999573 3.203642 8.675884 0.506794 1.231215 -0.723110 -0.029292 0.002712 0.006469 0.030120 0.000853 -0.001034 -0.000910 0.010398 -0.025953 -0.008804 -0.000857 0.009661 1.689801 2.054784 -0.113546 -0.164525 1.498953 0.074320 1.515665 0.000002 46 H 2.422997 7.905887 11.909248 0.150657 1.014903 0.73117563E+01 0.70355474E+02 1.688049 1.590780 -0.997254 2.413843 0.997851 3.418045 9.548844 0.490456 1.297866 -0.704726 0.014984 -0.007607 0.023380 0.028793 0.000141 0.006119 -0.002683 0.007839 -0.017266 -0.009053 -0.000310 0.009363 1.751066 1.372013 -0.025784 0.215775 1.535150 -0.144940 2.346036 0.000000 47 H 3.053472 6.317666 10.319552 0.120245 1.130630 0.90238512E+01 0.90176247E+02 1.726259 1.702693 -0.687801 2.542118 0.999705 3.355012 9.101506 0.508738 1.204792 -0.728648 0.023052 -0.008350 0.005594 0.025148 -0.007050 0.010417 0.001414 0.003390 -0.000684 -0.012856 0.000170 0.012686 1.726465 1.867323 -0.319241 0.078720 1.778870 -0.082207 1.533203 0.000001 48 H 1.501713 6.082603 10.432717 0.129417 1.108552 0.83008747E+01 0.80699057E+02 1.666743 1.604861 -0.627653 2.580845 0.999940 3.143357 8.229994 0.541476 1.163542 -0.739927 -0.021990 -0.016628 0.006206 0.028259 0.006944 -0.003642 -0.000130 0.009085 -0.001218 -0.008448 -0.001137 0.009585 1.693668 1.677110 0.381637 -0.180265 1.884955 -0.189032 1.518938 0.000003 49 H 1.139153 7.457769 8.605914 0.047496 1.318033 0.10797049E+02 0.11097659E+03 1.782669 1.758052 -0.724554 2.496011 0.998798 3.527518 9.189931 0.555124 1.073469 -0.762607 -0.047403 0.011382 0.001194 0.048765 -0.001618 -0.000353 0.002257 0.009009 -0.005015 -0.005270 -0.000431 0.005701 1.775388 2.140774 -0.247800 0.117369 1.639262 -0.003755 1.546129 0.000004 50 H 2.897382 8.309985 7.317990 0.042842 1.633421 0.13962168E+02 0.15424761E+03 2.117111 2.044925 -1.080567 2.318782 0.995623 3.960326 10.975868 0.493636 1.123138 -0.748105 -0.007198 0.011247 -0.043973 0.045955 -0.006011 0.008358 0.002052 0.011106 0.017085 -0.012755 -0.000206 0.012961 2.144653 1.698069 0.087703 0.067125 2.010231 -0.333457 2.725658 0.000003 51 H 4.003743 3.625439 9.209459 0.130557 1.166592 0.84307383E+01 0.83105991E+02 1.774011 1.656080 -1.050953 2.391843 0.997582 3.349563 9.123693 0.509344 1.219911 -0.723962 0.012148 0.032322 -0.008347 0.035524 0.011042 -0.005066 0.004411 -0.016028 0.009811 -0.017348 0.004988 0.012360 1.834982 1.437609 0.237093 -0.111555 2.349641 -0.268950 1.717696 0.000002 52 H 3.401508 3.355160 11.408090 0.106104 1.256447 0.87545349E+01 0.87205530E+02 1.873843 1.690948 -1.046854 2.386813 0.997463 3.446466 9.469046 0.502038 1.224781 -0.722489 0.011553 0.037015 0.029287 0.048593 0.014752 0.002134 0.002446 -0.021219 -0.005430 -0.017306 -0.002235 0.019541 1.991615 1.421254 0.050648 -0.004876 2.254385 0.604645 2.299205 0.000001 53 H 3.379848 4.088523 4.833754 0.106458 1.249390 0.89479214E+01 0.89150731E+02 1.837360 1.690679 -0.939959 2.440857 0.998372 3.337346 9.014264 0.513183 1.197930 -0.730328 -0.023154 0.038256 -0.022523 0.050069 -0.019191 -0.004583 -0.004906 -0.004711 -0.000427 -0.021369 0.001941 0.019428 1.913713 1.567821 -0.315875 0.149077 2.142569 -0.470485 2.030749 0.000002 54 H 2.799966 3.635123 7.000051 0.129890 1.155148 0.83072491E+01 0.81933913E+02 1.777638 1.653078 -1.268283 2.285960 0.995398 3.494460 9.653810 0.503430 1.233561 -0.718896 -0.027198 0.018556 0.014913 0.036145 -0.012360 -0.002893 -0.010314 0.004403 0.005038 -0.018320 0.004390 0.013930 1.839160 1.692959 -0.418824 -0.318764 1.943422 0.315408 1.881100 0.000002 55 H 5.284867 0.481572 6.908442 0.134326 1.084373 0.78274182E+01 0.75394994E+02 1.650325 1.564839 -1.086229 2.368485 0.998076 3.275934 8.690114 0.542038 1.173146 -0.734414 0.019075 -0.022830 0.014552 0.033118 -0.014224 -0.003002 0.004692 0.009919 0.014280 -0.017646 0.002389 0.015257 1.679460 1.504313 -0.223818 0.057470 1.880599 -0.382972 1.653470 0.000003 56 H 5.711603 0.953461 4.709811 0.106428 1.219448 0.86115473E+01 0.84615532E+02 1.782626 1.639159 -0.846869 2.485360 0.999285 3.229156 8.540456 0.532777 1.170017 -0.737822 0.030520 -0.031441 -0.023639 0.049787 -0.017016 -0.006804 -0.003285 -0.008433 -0.003903 -0.019832 0.001509 0.018324 1.854478 1.783962 -0.369199 -0.431856 1.760051 0.329192 2.019421 0.000003 57 H 2.011336 6.011291 7.204826 0.385502 0.510788 0.31180593E+01 0.24150739E+02 1.058937 1.036235 -1.148025 2.493802 0.999924 2.089518 5.170884 0.612345 1.291408 -0.708366 -0.005411 0.001559 -0.032889 0.033368 -0.003484 0.004425 0.004076 -0.024964 0.061021 -0.023688 0.002171 0.021517 1.063772 0.896883 0.000217 0.040779 0.997691 0.085639 1.296743 0.000002 58 H 4.430484 6.820368 7.873037 0.383305 0.517312 0.31639385E+01 0.24696852E+02 1.079158 1.052669 -1.211408 2.454837 0.999923 2.168882 5.460821 0.597456 1.313369 -0.702498 0.011123 -0.024451 -0.015030 0.030781 -0.017832 -0.000537 0.013225 0.003489 -0.020448 -0.021522 -0.002791 0.024312 1.087899 0.976402 -0.088665 -0.065217 1.290741 0.171132 0.996555 0.000001 59 H 0.025191 0.623315 18.893133 0.149239 1.023880 0.78378940E+01 0.75452563E+02 1.607876 1.581108 -0.635840 2.589134 0.999943 3.109834 8.222691 0.531957 1.196065 -0.731534 0.004292 -0.026570 0.000486 0.026919 -0.000843 0.001459 -0.003038 -0.007184 -0.026169 -0.009424 0.000783 0.008641 1.614494 1.381184 -0.049098 -0.029997 2.024065 -0.095689 1.438231 -0.000002 60 H 8.598248 1.634001 17.712986 0.144470 0.976680 0.68093846E+01 0.64543967E+02 1.653472 1.539873 -1.071311 2.373155 0.997221 3.497719 9.786192 0.494841 1.305849 -0.701704 -0.006497 0.003026 -0.025668 0.026649 0.003003 0.002427 0.000309 -0.005890 -0.007697 -0.004937 -0.000745 0.005683 1.725820 1.463183 0.016620 0.077238 1.292968 0.021117 2.421307 -0.000000 61 H 7.096163 3.010928 19.151795 0.130985 1.133009 0.92076468E+01 0.92484011E+02 1.731752 1.724588 -0.796260 2.500562 0.999443 3.326665 9.049624 0.503425 1.211304 -0.727619 -0.004864 0.023945 -0.009924 0.026373 -0.005229 -0.001307 -0.010540 -0.001762 0.009717 -0.012018 -0.000352 0.012370 1.718551 1.638434 -0.146145 0.087660 1.945557 -0.127186 1.571663 -0.000001 62 H 6.534105 1.532756 19.167962 0.131185 1.112560 0.82220004E+01 0.79823251E+02 1.674353 1.599812 -0.637288 2.574804 0.999964 3.159128 8.293287 0.540458 1.167325 -0.738572 -0.020944 -0.016018 -0.005402 0.026915 0.006308 0.001131 0.002863 -0.005506 -0.005258 -0.006111 -0.002526 0.008636 1.713786 2.072413 0.373703 0.207556 1.576328 0.149710 1.492617 -0.000002 63 H 7.962222 1.091681 21.134874 0.067158 1.247543 0.98455547E+01 0.98800435E+02 1.712957 1.675258 -0.647325 2.540937 0.999695 3.380072 8.675343 0.570996 1.068943 -0.764101 0.009713 -0.049136 0.008491 0.050801 -0.001904 -0.001022 -0.004076 -0.010005 -0.007896 -0.005672 -0.002396 0.008068 1.715270 1.536590 -0.214169 0.011211 2.085888 -0.209969 1.523332 -0.000004 64 H 0.072297 3.106010 22.158746 0.043279 1.630547 0.13999701E+02 0.15506376E+03 2.130125 2.060368 -1.089149 2.315727 0.995933 3.983693 11.124556 0.486309 1.137109 -0.744365 0.013083 -0.000986 0.045364 0.047223 -0.004872 -0.001191 -0.008237 -0.013303 0.027386 -0.013512 -0.001170 0.014682 2.156970 2.017997 0.122366 0.266867 1.702815 0.056973 2.750097 -0.000002 65 H 4.131665 3.908924 20.181056 0.135501 1.160800 0.83428743E+01 0.82078254E+02 1.774490 1.652868 -1.035952 2.401402 0.997935 3.323007 9.061739 0.506993 1.227982 -0.722299 0.032722 0.008455 0.009749 0.035174 0.009447 -0.003843 0.003728 0.018766 0.014609 -0.016870 0.005231 0.011640 1.839452 2.393521 0.251670 0.259777 1.442413 0.111487 1.682423 -0.000002 66 H 3.682190 3.364844 17.928538 0.105910 1.247559 0.87308624E+01 0.86640366E+02 1.843472 1.673648 -1.032902 2.391474 0.997799 3.393129 9.210569 0.513027 1.203102 -0.727987 0.032646 0.018719 -0.034773 0.051238 0.018282 -0.005986 -0.003505 0.018505 -0.000168 -0.020463 -0.002174 0.022637 1.948147 2.029924 0.129133 -0.555079 1.464153 -0.098481 2.350365 -0.000001 67 H 4.128365 3.341074 24.826202 0.100782 1.209819 0.85614234E+01 0.84634955E+02 1.813323 1.663013 -0.946167 2.429213 0.998616 3.396723 9.235209 0.511476 1.211370 -0.725958 0.020035 -0.033557 0.030938 0.049846 -0.018555 0.003372 -0.001094 -0.010595 -0.005770 -0.018586 -0.002048 0.020634 1.898885 1.647139 -0.296280 0.366990 1.768578 -0.403859 2.280938 -0.000001 68 H 4.272534 2.959865 22.476685 0.140956 1.131651 0.79950533E+01 0.78460615E+02 1.781287 1.642811 -1.320730 2.267430 0.994709 3.520825 9.848089 0.493050 1.265858 -0.711012 0.027852 -0.015125 -0.014804 0.034981 -0.010560 0.008891 -0.000182 0.009062 0.017538 -0.015591 0.000417 0.015175 1.856314 2.099658 -0.453783 -0.356363 1.644009 0.279940 1.825274 -0.000001 69 H 1.222852 5.586944 22.180301 0.137035 1.056190 0.76032263E+01 0.72663171E+02 1.617587 1.539687 -1.056781 2.382537 0.998662 3.235010 8.531743 0.548140 1.169226 -0.735456 -0.022446 0.019184 -0.019141 0.035188 -0.014169 0.001416 0.001743 -0.019266 0.001749 -0.017660 0.000770 0.016890 1.643893 1.774987 -0.206214 0.389183 1.527889 -0.095081 1.628804 -0.000002 70 H 2.044656 6.526318 24.168768 0.103875 1.244475 0.88168700E+01 0.87062828E+02 1.801400 1.655504 -0.822315 2.496113 0.999350 3.235545 8.552215 0.532121 1.165674 -0.739204 -0.014925 0.045473 0.013249 0.049660 -0.014400 0.008583 0.003117 -0.013625 -0.005363 -0.019544 0.002485 0.017059 1.866372 1.498879 -0.281454 -0.046286 2.374963 0.390258 1.725275 -0.000003 71 H 6.546645 2.326866 22.331187 0.382334 0.514473 0.31442781E+01 0.24424300E+02 1.067387 1.043008 -1.147411 2.491575 0.999906 2.109305 5.241019 0.607742 1.297435 -0.706978 0.000949 -0.001023 0.033211 0.033240 -0.009037 -0.003903 -0.000886 0.019787 0.061032 -0.023686 0.002613 0.021073 1.074912 1.029154 -0.014044 -0.115246 0.893557 0.003776 1.302026 -0.000002 72 H 7.583881 4.708317 21.318093 0.387701 0.514623 0.31406282E+01 0.24388770E+02 1.063064 1.039647 -1.199182 2.465127 0.999916 2.116564 5.258215 0.611147 1.290585 -0.707917 -0.023347 0.016623 0.013536 0.031696 -0.018036 -0.011919 -0.000242 -0.009039 -0.027435 -0.021877 -0.002905 0.024781 1.068208 1.234979 -0.136822 -0.130909 1.015664 0.072654 0.953983 -0.000002 73 H 6.510629 1.840892 16.042458 0.136868 0.940526 0.67069881E+01 0.62844895E+02 1.567234 1.497252 -1.065847 2.391632 0.997592 3.291487 8.927753 0.521519 1.253411 -0.714438 0.014664 0.003410 0.029644 0.033248 -0.001028 0.005411 0.002248 -0.000435 0.031190 -0.008031 -0.004239 0.012270 1.600544 1.674576 0.015772 0.281942 1.203700 0.063542 1.923355 -0.000001 74 H 6.665006 1.641044 13.294170 0.138706 1.159459 0.88660380E+01 0.88400959E+02 1.757600 1.689740 -1.257759 2.299487 0.995597 3.383215 9.232978 0.508671 1.207652 -0.726638 -0.014920 -0.000900 -0.030993 0.034409 0.002050 0.003006 0.000439 -0.003171 0.036854 -0.009036 -0.003722 0.012758 1.778662 1.909457 0.002339 0.278253 1.354942 0.044180 2.071587 0.000002 75 H 2.289070 6.180326 16.268787 0.131017 1.125675 0.85497119E+01 0.84567317E+02 1.726192 1.660801 -1.192544 2.322934 0.996577 3.405568 9.289514 0.511847 1.209803 -0.725532 0.004549 -0.015277 0.030300 0.034237 0.000020 0.003156 -0.002560 0.001769 0.031804 -0.006702 -0.004889 0.011591 1.749526 1.336690 -0.036518 0.065575 1.875897 -0.291563 2.035991 -0.000002 76 H 2.053449 6.075560 13.515110 0.131342 0.979517 0.70187513E+01 0.66604374E+02 1.617386 1.536579 -1.074340 2.381797 0.997262 3.379187 9.263299 0.511661 1.261483 -0.712361 -0.002965 0.015561 -0.029476 0.033463 -0.003243 0.002067 -0.004829 -0.001403 0.031745 -0.008739 -0.003712 0.012451 1.658409 1.228118 -0.020791 0.034080 1.735757 -0.326839 2.011351 0.000000 77 H 0.744553 3.115694 2.495014 0.126128 1.171943 0.89736646E+01 0.89686919E+02 1.758270 1.689882 -1.227068 2.299261 0.996170 3.459659 9.433064 0.513538 1.193367 -0.729269 0.016223 0.000002 0.025247 0.030011 0.000446 0.001320 0.001034 -0.003023 0.029439 -0.006566 -0.003438 0.010005 1.780313 1.871132 -0.008292 0.278408 1.350390 -0.024947 2.119418 0.000001 78 H 0.765450 3.230145 53.683226 0.126225 1.199920 0.91958395E+01 0.92614128E+02 1.798175 1.719715 -1.287619 2.271520 0.995900 3.502908 9.636159 0.504275 1.206015 -0.726226 -0.015963 0.002512 -0.023975 0.028912 -0.000543 0.002622 -0.001306 -0.001489 0.024993 -0.005454 -0.003531 0.008986 1.827887 1.944216 -0.028150 0.305367 1.375295 -0.066396 2.164151 -0.000002 79 H 5.105762 7.540526 53.688614 0.126445 1.120290 0.83943354E+01 0.82788330E+02 1.726931 1.649002 -1.189728 2.318575 0.996579 3.460399 9.476702 0.511253 1.214751 -0.723586 -0.004751 -0.015996 -0.027397 0.032078 0.001115 0.003258 0.003426 0.002558 0.030848 -0.007176 -0.004530 0.011707 1.764155 1.325650 0.017179 0.021170 1.871468 0.323030 2.095349 -0.000001 80 H 5.102313 7.504430 2.538125 0.129099 1.148839 0.86573997E+01 0.85947978E+02 1.750433 1.670775 -1.291663 2.274165 0.995903 3.457092 9.464349 0.510244 1.209149 -0.725232 -0.003493 0.015799 0.026537 0.031081 -0.000190 -0.000357 0.003458 0.002191 0.029619 -0.006756 -0.003847 0.010603 1.786038 1.339804 -0.005858 -0.030191 1.892939 0.313114 2.125372 0.000001 81 C 6.068539 8.385699 37.381028 0.265752 31.082444 0.34266395E+03 0.75812183E+04 8.794658 6.330127 0.182752 2.097512 0.999475 24.256170 67.373182 0.631317 0.438518 -1.051836 0.004280 0.009789 0.054540 0.055576 -0.016352 -0.019778 0.004138 0.002043 -0.138188 -0.051257 0.008379 0.042879 10.731670 5.807223 2.560965 2.620742 12.678223 -0.351635 13.709564 0.000001 82 C 6.738899 0.743928 37.975951 -0.288753 30.105611 0.44575237E+03 0.10575651E+05 8.497205 7.033958 -0.210305 1.922876 0.997589 30.091754 87.724214 0.620234 0.416234 -1.061265 -0.025761 0.053038 -0.060618 0.084565 0.005647 0.012711 -0.022932 -0.029993 -0.057464 -0.035422 0.001027 0.034395 9.595876 6.461986 1.353700 1.012427 12.127072 -0.622616 10.198571 0.000003 83 C 6.599031 2.084759 37.113743 -0.232979 26.689702 0.41866661E+03 0.97598690E+04 7.797518 6.796559 -0.040728 1.983027 0.998777 29.121904 83.629009 0.635023 0.413753 -1.064889 0.012113 -0.075289 0.009424 0.076837 0.003591 -0.005356 -0.044628 -0.038785 0.078213 -0.032952 -0.029401 0.062353 8.462632 5.653574 0.294931 0.278088 10.183208 -0.534227 9.551113 0.000003 84 C 6.756325 1.741408 35.681400 0.176165 23.068172 0.33312572E+03 0.72892325E+04 7.019452 6.043686 -0.091572 2.006330 0.999412 24.494400 66.784549 0.680778 0.411175 -1.073174 -0.016330 0.113061 0.000529 0.114235 -0.007349 0.000825 -0.041784 -0.044753 -0.002537 -0.033709 -0.021219 0.054928 7.662960 5.938154 1.059609 0.181884 8.865848 -0.866787 8.184878 0.000002 85 C 5.694417 0.740407 35.192636 0.121143 24.541537 0.36452858E+03 0.81859664E+04 7.357603 6.355585 -0.310048 1.925019 0.998589 25.830398 72.147240 0.656382 0.415538 -1.066695 -0.115106 0.011091 0.041634 0.122905 -0.025857 -0.016464 -0.006320 0.042423 -0.017404 -0.036267 -0.003508 0.039774 7.987449 6.405043 0.975958 0.828152 10.098974 -0.325797 7.458331 0.000002 86 C 5.661311 8.290617 36.052150 -0.076098 39.784447 0.46023340E+03 0.10888331E+05 10.043171 7.139181 0.036408 2.017247 0.999315 27.673839 77.762325 0.623409 0.415289 -1.073426 -0.031381 0.035326 -0.034260 0.058365 -0.010688 -0.012075 -0.017746 -0.005877 -0.076489 -0.036983 0.011756 0.025226 12.376197 6.211769 2.500433 3.129564 15.678463 0.347007 15.238360 0.000003 87 C 5.170005 7.082724 35.562847 0.075446 40.118135 0.41170745E+03 0.94967263E+04 10.228745 6.797089 -0.089590 1.982915 0.999351 26.421200 73.917025 0.631005 0.420812 -1.067181 -0.016549 -0.005653 -0.003955 0.017929 -0.035222 -0.000135 -0.000292 0.021353 -0.024331 -0.032753 -0.008107 0.040859 13.538935 6.397670 2.364036 3.949864 13.309207 2.293478 20.909929 0.000003 88 C 5.093785 6.001607 36.448765 -0.196728 36.059605 0.43825666E+03 0.10322112E+05 9.482469 6.976929 0.169110 2.024762 0.999541 29.743579 85.531704 0.624360 0.416516 -1.064345 0.001314 0.002519 0.002947 0.004093 0.005265 -0.007832 -0.001836 -0.007927 -0.035629 -0.015416 0.001734 0.013682 11.369093 5.547335 1.187353 2.417332 11.341825 -0.879537 17.218120 0.000005 89 C 5.487693 6.159197 37.759860 0.126182 27.922325 0.31355388E+03 0.68086458E+04 8.109968 5.962433 0.120034 2.063977 0.999574 25.329231 70.498712 0.663424 0.425173 -1.056297 0.013440 0.046197 0.008569 0.048869 -0.012486 -0.021402 0.003658 0.036065 -0.101347 -0.039904 -0.004831 0.044735 9.654054 5.053045 1.514049 1.991637 9.931175 -0.225539 13.977941 0.000002 90 C 5.027090 5.454006 32.198619 0.093447 28.154509 0.32283122E+03 0.70523161E+04 8.109766 6.023814 0.209229 2.085781 0.999738 25.696963 71.436741 0.665198 0.421501 -1.059952 -0.027369 0.040871 -0.019977 0.053091 -0.000990 -0.014702 -0.001717 0.015536 -0.086489 -0.032857 0.006726 0.026131 9.735672 6.340117 -1.791679 2.504848 7.816266 1.668653 15.050633 0.000003 91 C 5.374160 5.715481 33.501092 -0.195328 36.537422 0.44713230E+03 0.10586662E+05 9.586608 7.064212 0.108645 2.005251 0.999308 29.881688 86.223775 0.618102 0.418526 -1.062805 0.002705 0.009575 -0.002412 0.010238 -0.012675 -0.001692 -0.005748 0.031292 -0.023569 -0.019329 -0.004738 0.024067 11.668292 6.851082 -2.028032 2.351815 10.105832 3.187676 18.047963 0.000004 92 C 4.798290 6.824770 34.162836 0.125741 36.914821 0.39818048E+03 0.91149963E+04 9.754765 6.716762 -0.155296 1.970179 0.999012 25.852444 72.223693 0.629736 0.424885 -1.063834 -0.003397 -0.005040 0.007454 0.009618 0.012072 -0.008224 -0.004406 -0.009017 0.005717 -0.015087 -0.001683 0.016770 12.779443 7.470840 -1.355928 4.288211 9.629178 3.447401 21.238312 0.000003 93 C 3.913336 7.595990 33.447743 -0.194015 34.981212 0.42941410E+03 0.10058794E+05 9.301087 6.928828 0.126567 2.014981 0.999580 29.442858 84.336310 0.623680 0.419251 -1.062990 -0.009528 -0.004904 -0.005535 0.012061 -0.002893 -0.012621 0.000727 -0.006084 -0.020619 -0.016432 0.004998 0.011434 11.182172 7.615311 -1.575148 3.840900 8.459559 2.135396 17.471645 0.000006 94 C 3.642028 7.289615 32.130181 0.110044 26.975219 0.30394212E+03 0.65263183E+04 7.826402 5.806890 0.331340 2.132163 0.999853 25.003386 68.430935 0.685648 0.416033 -1.065704 0.026346 -0.035367 -0.004749 0.044357 0.005098 -0.009530 -0.016444 0.014354 -0.086640 -0.036123 0.008808 0.027314 9.372476 6.106048 -1.628169 2.294849 7.620946 2.073755 14.390435 0.000004 95 C 7.796067 6.462931 46.077473 0.284122 29.676764 0.31887201E+03 0.69516260E+04 8.577922 6.141131 0.092056 2.074939 0.999514 23.922726 66.663607 0.633468 0.443518 -1.045453 0.011372 0.007265 -0.050088 0.051874 -0.026763 -0.010886 0.020708 -0.004684 -0.149589 -0.055308 -0.001322 0.056630 10.436067 12.019784 3.047601 0.870721 6.726183 -3.033553 12.562234 -0.000002 96 C 0.102995 7.245596 45.616192 -0.301284 30.328247 0.45513917E+03 0.10845610E+05 8.526990 7.115357 -0.180682 1.926941 0.998013 30.320393 88.340199 0.616192 0.417139 -1.061584 0.051260 -0.042683 0.036058 0.075827 -0.008317 0.020188 -0.019983 0.031473 -0.105643 -0.046962 0.003491 0.043471 9.550118 11.405544 1.431091 0.661595 7.401477 -1.536234 9.843332 -0.000002 97 C 1.490817 6.710320 46.343680 -0.240335 27.145319 0.44226055E+03 0.10439496E+05 7.871765 6.988662 -0.033743 1.979352 0.998645 29.540141 85.024060 0.626561 0.414134 -1.065936 -0.062159 0.017162 0.000563 0.064487 -0.018418 0.046843 -0.009910 0.050966 0.088260 -0.046768 -0.024468 0.071236 8.478910 10.549121 0.152502 0.131966 5.894246 -0.643314 8.993363 -0.000002 98 C 1.143898 6.825650 47.814822 0.170254 23.253745 0.33983900E+03 0.74604578E+04 7.036380 6.099004 -0.071396 2.013591 0.999255 24.540429 66.643609 0.679732 0.410465 -1.075487 0.101936 -0.017215 -0.003089 0.103426 -0.018337 0.039170 0.000417 0.053553 0.010861 -0.040200 -0.017122 0.057322 7.681259 8.976365 0.482742 1.260136 6.229346 -0.257037 7.838065 -0.000002 99 C 0.139525 5.649452 48.154317 0.110207 24.970718 0.38300763E+03 0.87004457E+04 7.432139 6.507747 -0.286484 1.926061 0.998563 26.212061 73.429134 0.650260 0.414653 -1.068181 0.015185 -0.122522 -0.064815 0.139439 -0.019879 0.001571 0.024700 -0.020509 0.001311 -0.031062 -0.004202 0.035264 8.034262 9.921589 0.976674 0.491134 6.859583 -0.887067 7.321614 -0.000001 100 C 7.676562 5.922372 47.338991 -0.101948 39.345565 0.45801095E+03 0.10852273E+05 10.019008 7.146022 0.000702 2.000505 0.999181 28.130277 79.814702 0.618269 0.418104 -1.068689 0.029729 -0.031118 0.021825 0.048254 -0.002267 0.021259 0.026649 0.003468 -0.046432 -0.040792 0.010299 0.030493 12.314660 15.142002 2.547527 -0.259973 7.348804 -4.342085 14.453175 -0.000001 101 C 6.536513 5.285851 47.736146 0.085646 38.874811 0.40838189E+03 0.94272595E+04 10.100947 6.820956 -0.201288 1.949253 0.999325 26.513727 74.885253 0.621058 0.427224 -1.060186 -0.001019 -0.025838 0.004084 0.026179 -0.042734 -0.010199 0.000910 -0.017460 -0.027200 -0.040804 -0.008235 0.049040 13.154444 13.239587 2.985827 -2.007005 7.393351 -4.950877 18.830394 -0.000001 102 C 5.482480 5.216301 46.855616 -0.198565 35.085701 0.43792920E+03 0.10306576E+05 9.291764 6.962499 0.236388 2.048115 0.999582 29.637789 85.036143 0.626957 0.415105 -1.065858 -0.001431 0.007345 -0.005090 0.009050 0.005868 0.001234 0.005387 0.007930 -0.021491 -0.010339 -0.001076 0.011415 10.980244 11.417440 1.381768 0.495760 5.685873 -2.637542 15.837420 -0.000004 103 C 5.714820 5.652093 45.535360 0.124165 27.495574 0.31702761E+03 0.68922050E+04 7.994690 5.974328 0.107252 2.056523 0.999598 25.327367 70.173349 0.667318 0.422194 -1.059823 0.047858 0.014564 0.000303 0.050026 -0.022106 -0.000266 0.020831 -0.007417 -0.103853 -0.042463 -0.000743 0.043207 9.412368 9.154143 2.090802 0.407536 5.575431 -1.836993 13.507529 -0.000002 104 C 5.102936 4.911686 51.172045 0.097849 27.960672 0.32435240E+03 0.71021379E+04 8.110369 6.060783 0.175270 2.073802 0.999752 25.780895 72.027167 0.658662 0.424690 -1.056727 0.045759 -0.033445 0.003938 0.056816 -0.001898 0.009822 0.023575 0.048796 -0.081739 -0.044986 0.005461 0.039525 9.681149 5.999343 -1.943876 -1.280101 7.965865 -2.064320 15.078240 -0.000002 105 C 5.148819 5.300818 49.824845 -0.199740 37.609057 0.47789211E+03 0.11496485E+05 9.792294 7.322729 0.118078 2.006811 0.999064 30.254679 87.791806 0.605095 0.420772 -1.062145 -0.010927 -0.011947 -0.005263 0.017025 -0.009780 -0.007320 0.009053 -0.035929 -0.012105 -0.020183 -0.006051 0.026235 11.787486 10.283399 -2.363810 -2.034449 7.275732 -2.758786 17.803328 -0.000005 106 C 6.299939 4.764661 49.129690 0.112259 37.222660 0.42230521E+03 0.98130224E+04 9.829951 6.925808 -0.192048 1.951638 0.999074 26.422534 74.434147 0.618848 0.425937 -1.062899 0.003319 0.003631 -0.002826 0.005673 0.014877 -0.001633 0.005680 0.028607 0.040860 -0.028269 0.013356 0.014913 12.668783 9.337202 -0.853245 -4.193862 9.305953 -5.434823 19.363194 -0.000001 107 C 6.885516 3.641286 49.607676 -0.200558 34.479923 0.43945872E+03 0.10348606E+05 9.194066 6.999269 0.150825 2.018425 0.999596 29.708054 85.182316 0.622191 0.418041 -1.064289 -0.001860 -0.005235 0.008630 0.010264 -0.005884 -0.003780 0.016735 -0.007555 0.025778 -0.014411 -0.008378 0.022789 10.837148 7.956019 -1.098880 -3.044121 9.483956 -4.444730 15.071471 -0.000005 108 C 6.454468 3.123618 50.850333 0.107939 26.436528 0.30316833E+03 0.65028544E+04 7.707405 5.791065 0.377434 2.147521 0.999825 24.973999 68.221910 0.688369 0.414824 -1.066923 -0.026006 0.033971 0.008792 0.043677 0.000519 0.023704 0.002312 0.020142 -0.074182 -0.034683 0.002332 0.032351 9.081115 6.224662 -1.215237 -2.867859 8.442368 -2.355606 12.576314 -0.000004 109 C 4.042846 7.059834 41.946419 0.647635 24.108736 0.24089955E+03 0.49390200E+04 7.770745 5.521293 -0.105178 2.032407 0.999562 21.625196 60.124648 0.629542 0.474544 -1.019021 0.045109 0.003527 -0.008625 0.046061 -0.000159 0.001602 -0.006337 -0.154946 -0.129656 -0.056066 -0.043298 0.099364 9.868083 16.751047 -0.078350 0.213118 4.280262 0.035849 8.572940 -0.000001 110 C 2.614751 7.035183 42.129638 -0.184755 39.776667 0.43006789E+03 0.10055347E+05 10.131719 6.870786 0.107684 2.007827 0.999609 29.223742 83.019815 0.636413 0.411630 -1.070276 -0.016810 -0.000209 0.003526 0.017177 -0.002950 -0.002619 0.005084 -0.120074 -0.013465 -0.057982 -0.004766 0.062748 13.611943 26.326823 -0.272564 2.106580 5.236678 -0.357231 9.272330 -0.000001 111 C 1.766336 7.114418 41.096605 -0.177820 39.496075 0.43057286E+03 0.10077610E+05 10.092858 6.873972 0.031576 1.983369 0.999458 29.383317 83.719879 0.635909 0.411529 -1.069545 0.017293 0.000378 -0.001588 0.017370 0.002759 -0.003417 0.004284 -0.122502 -0.023918 -0.057576 -0.007964 0.065540 13.512516 26.299557 -0.471820 2.274689 5.260919 -0.332648 8.977070 0.000002 112 C 0.307370 7.127624 41.256653 0.648276 24.243275 0.24259146E+03 0.49790535E+04 7.810518 5.546402 -0.071217 2.047110 0.999545 21.548786 59.812255 0.627562 0.475531 -1.019181 -0.048692 -0.000161 0.004499 0.048900 0.006712 0.002294 0.029611 -0.151311 -0.104964 -0.058513 -0.041462 0.099975 9.907122 16.835625 -0.341809 0.387169 4.520727 -0.937044 8.365013 0.000000 113 C 6.645562 0.776502 42.246575 0.656613 23.206320 0.23410638E+03 0.47700518E+04 7.609221 5.467031 -0.102630 2.040025 0.999353 21.437609 59.602299 0.627878 0.478764 -1.015808 -0.002853 -0.045980 -0.002211 0.046122 -0.000740 -0.038011 -0.000245 0.156229 -0.108309 -0.060079 -0.046235 0.106314 9.515025 4.405183 -0.271123 0.938929 15.739795 -0.690222 8.400098 -0.000001 114 C 6.584623 2.254674 42.365129 -0.179239 39.683591 0.44356133E+03 0.10458454E+05 10.137312 6.989383 0.015130 1.973841 0.999459 29.649278 84.774553 0.628980 0.413005 -1.068646 -0.004226 0.017363 0.001690 0.017950 0.010958 0.009143 0.005495 0.113075 -0.008142 -0.056630 -0.003788 0.060419 13.398754 5.255654 -0.105720 -0.192109 25.779966 -2.376424 9.160641 -0.000002 115 C 6.653403 3.088402 41.315930 -0.203489 40.613999 0.44709434E+03 0.10552398E+05 10.249074 6.993753 0.133386 2.009591 0.999656 29.677163 84.627323 0.632560 0.410254 -1.071477 0.002847 -0.019491 -0.002194 0.019819 0.005270 0.005693 0.007711 0.102886 0.009808 -0.054307 0.003444 0.050863 13.607829 5.241842 -0.054150 -0.184432 25.999692 -2.015647 9.581952 0.000001 116 C 6.614531 4.530478 41.467355 0.679212 22.179580 0.21516758E+03 0.43027993E+04 7.396276 5.248716 -0.157608 2.026130 0.999383 21.075526 58.497935 0.637927 0.480132 -1.012694 0.001912 0.044572 0.005395 0.044938 -0.000092 -0.000049 -0.002690 0.159307 -0.144937 -0.056393 -0.047417 0.103809 9.291489 4.066048 -0.148507 0.085324 15.346775 -0.378819 8.461644 -0.000000 117 C 1.162893 5.650332 28.450170 0.674715 20.818047 0.21441768E+03 0.42819736E+04 7.117042 5.260372 -0.079009 2.059144 0.999221 20.977451 58.093502 0.633752 0.483953 -1.011182 0.045972 0.000379 -0.008821 0.046812 -0.006791 0.002467 -0.012381 -0.175458 -0.150726 -0.063197 -0.050861 0.114059 8.704525 13.893386 0.139171 0.836492 4.028863 0.387961 8.191325 0.000000 118 C 8.410939 5.660897 28.588123 -0.193251 37.831838 0.43034909E+03 0.10081120E+05 9.846708 6.892659 0.079551 1.993101 0.999588 29.708335 84.959210 0.631588 0.413984 -1.066890 -0.012402 0.003524 0.003296 0.013307 0.003368 -0.011337 -0.002490 -0.124114 -0.041884 -0.058050 -0.011174 0.069224 12.755696 24.027314 0.054938 2.462969 5.091381 0.160441 9.148394 0.000001 119 C 7.639284 5.633605 27.584728 -0.203710 38.088987 0.41916120E+03 0.97791910E+04 9.902291 6.816929 0.002552 1.969790 0.999547 29.797847 85.744690 0.631476 0.415746 -1.063077 0.010689 -0.000809 -0.000581 0.010735 0.006348 -0.014288 -0.002357 -0.117265 -0.042927 -0.056562 -0.009691 0.066253 12.873268 24.388521 -0.188864 2.360886 5.094933 0.234898 9.136351 -0.000004 120 C 6.163512 5.691710 27.694660 0.674568 22.108508 0.22254388E+03 0.44836223E+04 7.407825 5.349609 -0.089486 2.051078 0.999535 21.101354 58.602770 0.630424 0.482236 -1.012567 -0.044097 0.003296 0.005945 0.044617 0.002274 0.003409 -0.011194 -0.164770 -0.145220 -0.059447 -0.047971 0.107418 9.196937 15.289263 -0.053189 0.764265 4.116357 0.297569 8.185191 -0.000001 121 C 3.533807 8.192013 27.712443 0.670678 21.903865 0.22116484E+03 0.44467817E+04 7.350284 5.325822 -0.087250 2.053120 0.999451 21.078107 58.386942 0.633414 0.480937 -1.013737 -0.000022 -0.046586 0.006721 0.047068 -0.000927 -0.016023 0.003030 0.168059 -0.146564 -0.060465 -0.049616 0.110081 9.131138 4.143401 0.261897 0.430988 14.980512 0.634952 8.269501 -0.000001 122 C 3.636836 0.885671 27.595506 -0.183176 39.278995 0.43736183E+03 0.10282377E+05 10.093721 6.949991 0.048636 1.985183 0.999579 29.607643 84.702630 0.629064 0.414151 -1.067250 0.010959 0.014003 -0.001435 0.017839 -0.012371 0.002204 -0.008577 0.128921 -0.035881 -0.061072 -0.010654 0.071726 13.236705 5.216761 0.406378 0.055527 25.113708 2.264917 9.379644 -0.000004 123 C 3.657301 1.677140 28.633928 -0.192734 39.024747 0.43216471E+03 0.10140578E+05 10.034365 6.903848 0.008912 1.970911 0.999480 29.764139 85.362099 0.631144 0.413585 -1.066488 0.009694 -0.013464 0.002532 0.016783 0.003577 -0.000315 -0.007996 0.117205 -0.034772 -0.054405 -0.010106 0.064511 13.086808 5.170799 0.163886 0.169705 24.715342 2.286325 9.374282 -0.000000 124 C 3.646532 3.148269 28.509985 0.646606 24.132466 0.24487954E+03 0.50403132E+04 7.795762 5.575830 -0.067700 2.046426 0.999538 21.659815 60.303100 0.625033 0.476100 -1.018373 0.001118 0.047169 -0.007181 0.047726 -0.006214 -0.016283 0.002496 0.159225 -0.128821 -0.058631 -0.044528 0.103159 9.766352 4.366928 0.302383 0.496145 16.178004 0.649208 8.754124 0.000001 125 C 2.713805 0.418184 10.437028 0.265752 31.082446 0.34266397E+03 0.75812189E+04 8.794658 6.330127 0.182752 2.097512 0.999475 24.256171 67.373183 0.631318 0.438518 -1.051836 -0.004280 -0.009789 0.054540 0.055576 -0.016352 0.019778 -0.004138 0.002043 -0.138188 -0.051257 0.008379 0.042879 10.731670 5.807223 2.560965 -2.620742 12.678222 0.351635 13.709563 0.000001 126 C 2.043445 8.059955 11.031951 -0.288753 30.105612 0.44575240E+03 0.10575652E+05 8.497205 7.033958 -0.210305 1.922876 0.997589 30.091755 87.724217 0.620234 0.416234 -1.061265 0.025761 -0.053038 -0.060618 0.084565 0.005647 -0.012711 0.022932 -0.029993 -0.057464 -0.035422 0.001027 0.034395 9.595876 6.461986 1.353700 -1.012427 12.127072 0.622616 10.198571 0.000003 127 C 2.183313 6.719124 10.169743 -0.232979 26.689702 0.41866661E+03 0.97598693E+04 7.797518 6.796560 -0.040728 1.983027 0.998777 29.121904 83.629012 0.635023 0.413753 -1.064889 -0.012113 0.075289 0.009424 0.076837 0.003591 0.005356 0.044628 -0.038785 0.078213 -0.032952 -0.029401 0.062353 8.462633 5.653575 0.294930 -0.278088 10.183209 0.534227 9.551114 0.000003 128 C 2.026019 7.062475 8.737400 0.176166 23.068171 0.33312570E+03 0.72892319E+04 7.019452 6.043685 -0.091572 2.006330 0.999412 24.494399 66.784546 0.680778 0.411175 -1.073174 0.016330 -0.113061 0.000529 0.114235 -0.007349 -0.000825 0.041784 -0.044753 -0.002537 -0.033709 -0.021219 0.054928 7.662960 5.938154 1.059608 -0.181884 8.865847 0.866787 8.184877 0.000002 129 C 3.087927 8.063476 8.248636 0.121143 24.541539 0.36452860E+03 0.81859670E+04 7.357603 6.355586 -0.310048 1.925019 0.998589 25.830399 72.147244 0.656382 0.415538 -1.066695 0.115106 -0.011091 0.041634 0.122905 -0.025857 0.016464 0.006320 0.042423 -0.017404 -0.036267 -0.003508 0.039774 7.987450 6.405043 0.975958 -0.828152 10.098975 0.325797 7.458331 0.000002 130 C 3.121033 0.513266 9.108150 -0.076098 39.784447 0.46023340E+03 0.10888330E+05 10.043171 7.139181 0.036408 2.017247 0.999315 27.673839 77.762324 0.623409 0.415289 -1.073426 0.031381 -0.035326 -0.034260 0.058365 -0.010688 0.012075 0.017746 -0.005877 -0.076489 -0.036983 0.011756 0.025226 12.376197 6.211769 2.500433 -3.129563 15.678462 -0.347008 15.238360 0.000003 131 C 3.612339 1.721159 8.618847 0.075446 40.118135 0.41170746E+03 0.94967264E+04 10.228746 6.797089 -0.089590 1.982915 0.999351 26.421200 73.917026 0.631004 0.420812 -1.067181 0.016549 0.005653 -0.003955 0.017929 -0.035222 0.000135 0.000292 0.021353 -0.024331 -0.032753 -0.008107 0.040859 13.538935 6.397670 2.364036 -3.949864 13.309207 -2.293478 20.909929 0.000003 132 C 3.688559 2.802276 9.504765 -0.196728 36.059604 0.43825665E+03 0.10322111E+05 9.482469 6.976928 0.169110 2.024762 0.999541 29.743579 85.531702 0.624360 0.416516 -1.064345 -0.001314 -0.002519 0.002947 0.004093 0.005265 0.007832 0.001836 -0.007927 -0.035629 -0.015416 0.001734 0.013682 11.369093 5.547335 1.187353 -2.417332 11.341824 0.879537 17.218119 0.000005 133 C 3.294651 2.644686 10.815860 0.126182 27.922323 0.31355386E+03 0.68086452E+04 8.109968 5.962433 0.120034 2.063977 0.999574 25.329230 70.498708 0.663424 0.425173 -1.056297 -0.013440 -0.046197 0.008569 0.048869 -0.012486 0.021402 -0.003658 0.036065 -0.101347 -0.039904 -0.004831 0.044735 9.654053 5.053045 1.514049 -1.991637 9.931175 0.225539 13.977940 0.000002 134 C 3.755254 3.349877 5.254619 0.093447 28.154510 0.32283122E+03 0.70523162E+04 8.109766 6.023814 0.209229 2.085781 0.999738 25.696963 71.436743 0.665198 0.421501 -1.059952 0.027369 -0.040871 -0.019977 0.053091 -0.000990 0.014702 0.001717 0.015536 -0.086489 -0.032857 0.006726 0.026131 9.735672 6.340117 -1.791679 -2.504848 7.816266 -1.668653 15.050634 0.000003 135 C 3.408184 3.088402 6.557092 -0.195328 36.537422 0.44713230E+03 0.10586662E+05 9.586608 7.064212 0.108645 2.005251 0.999308 29.881688 86.223776 0.618102 0.418526 -1.062805 -0.002705 -0.009575 -0.002412 0.010238 -0.012675 0.001692 0.005748 0.031292 -0.023569 -0.019329 -0.004738 0.024067 11.668292 6.851082 -2.028032 -2.351816 10.105832 -3.187675 18.047963 0.000004 136 C 3.984054 1.979113 7.218836 0.125741 36.914821 0.39818048E+03 0.91149963E+04 9.754765 6.716762 -0.155296 1.970179 0.999012 25.852444 72.223694 0.629736 0.424885 -1.063834 0.003397 0.005040 0.007454 0.009618 0.012072 0.008224 0.004406 -0.009017 0.005717 -0.015087 -0.001683 0.016770 12.779443 7.470840 -1.355928 -4.288211 9.629178 -3.447401 21.238312 0.000003 137 C 4.869008 1.207893 6.503743 -0.194015 34.981214 0.42941412E+03 0.10058795E+05 9.301088 6.928828 0.126567 2.014981 0.999580 29.442859 84.336315 0.623680 0.419251 -1.062990 0.009528 0.004904 -0.005535 0.012061 -0.002893 0.012621 -0.000727 -0.006084 -0.020619 -0.016432 0.004998 0.011434 11.182173 7.615312 -1.575148 -3.840900 8.459560 -2.135396 17.471646 0.000006 138 C 5.140316 1.514268 5.186181 0.110044 26.975221 0.30394215E+03 0.65263191E+04 7.826402 5.806891 0.331340 2.132163 0.999853 25.003387 68.430939 0.685648 0.416033 -1.065704 -0.026346 0.035367 -0.004749 0.044357 0.005098 0.009530 0.016444 0.014354 -0.086640 -0.036123 0.008808 0.027314 9.372477 6.106048 -1.628169 -2.294849 7.620947 -2.073755 14.390436 0.000004 139 C 0.986277 2.340952 19.133473 0.284122 29.676764 0.31887201E+03 0.69516259E+04 8.577922 6.141131 0.092056 2.074939 0.999514 23.922726 66.663607 0.633468 0.443518 -1.045453 -0.011372 -0.007265 -0.050088 0.051874 -0.026763 0.010886 -0.020708 -0.004684 -0.149589 -0.055308 -0.001322 0.056630 10.436067 12.019784 3.047601 -0.870722 6.726183 3.033553 12.562234 -0.000002 140 C 8.679349 1.558287 18.672192 -0.301283 30.328246 0.45513915E+03 0.10845609E+05 8.526990 7.115356 -0.180682 1.926941 0.998013 30.320392 88.340196 0.616192 0.417139 -1.061584 -0.051260 0.042683 0.036058 0.075827 -0.008317 -0.020188 0.019983 0.031473 -0.105643 -0.046962 0.003491 0.043471 9.550117 11.405543 1.431091 -0.661595 7.401477 1.536234 9.843331 -0.000002 141 C 7.291527 2.093563 19.399680 -0.240335 27.145321 0.44226059E+03 0.10439498E+05 7.871766 6.988662 -0.033743 1.979352 0.998645 29.540142 85.024064 0.626561 0.414134 -1.065936 0.062159 -0.017162 0.000563 0.064487 -0.018418 -0.046843 0.009910 0.050966 0.088260 -0.046768 -0.024468 0.071236 8.478911 10.549122 0.152501 -0.131967 5.894247 0.643314 8.993364 -0.000002 142 C 7.638446 1.978233 20.870822 0.170254 23.253744 0.33983898E+03 0.74604573E+04 7.036380 6.099004 -0.071397 2.013591 0.999255 24.540429 66.643610 0.679732 0.410465 -1.075487 -0.101936 0.017215 -0.003089 0.103426 -0.018337 -0.039170 -0.000417 0.053553 0.010861 -0.040200 -0.017122 0.057322 7.681259 8.976365 0.482742 -1.260136 6.229346 0.257037 7.838065 -0.000002 143 C 8.642819 3.154431 21.210317 0.110207 24.970717 0.38300761E+03 0.87004452E+04 7.432139 6.507747 -0.286484 1.926061 0.998563 26.212061 73.429135 0.650260 0.414653 -1.068181 -0.015185 0.122522 -0.064815 0.139439 -0.019879 -0.001571 -0.024700 -0.020509 0.001311 -0.031062 -0.004202 0.035264 8.034262 9.921588 0.976674 -0.491133 6.859583 0.887067 7.321614 -0.000001 144 C 1.105782 2.881511 20.394991 -0.101948 39.345566 0.45801095E+03 0.10852274E+05 10.019009 7.146022 0.000702 2.000505 0.999181 28.130277 79.814703 0.618269 0.418104 -1.068689 -0.029729 0.031118 0.021825 0.048254 -0.002267 -0.021259 -0.026649 0.003468 -0.046432 -0.040792 0.010299 0.030493 12.314661 15.142002 2.547527 0.259973 7.348804 4.342085 14.453176 -0.000001 145 C 2.245831 3.518032 20.792146 0.085646 38.874811 0.40838188E+03 0.94272594E+04 10.100947 6.820956 -0.201288 1.949253 0.999325 26.513727 74.885253 0.621058 0.427224 -1.060186 0.001019 0.025838 0.004084 0.026179 -0.042734 0.010199 -0.000910 -0.017460 -0.027200 -0.040804 -0.008235 0.049040 13.154444 13.239587 2.985827 2.007005 7.393351 4.950877 18.830394 -0.000001 146 C 3.299864 3.587582 19.911616 -0.198566 35.085702 0.43792921E+03 0.10306576E+05 9.291764 6.962499 0.236388 2.048115 0.999582 29.637790 85.036144 0.626957 0.415105 -1.065858 0.001431 -0.007345 -0.005090 0.009050 0.005868 -0.001234 -0.005387 0.007930 -0.021491 -0.010339 -0.001076 0.011415 10.980244 11.417440 1.381768 -0.495760 5.685873 2.637542 15.837420 -0.000004 147 C 3.067524 3.151790 18.591360 0.124165 27.495574 0.31702762E+03 0.68922052E+04 7.994691 5.974328 0.107252 2.056523 0.999598 25.327367 70.173352 0.667318 0.422194 -1.059823 -0.047858 -0.014564 0.000303 0.050026 -0.022106 0.000266 -0.020831 -0.007417 -0.103853 -0.042463 -0.000743 0.043207 9.412368 9.154144 2.090803 -0.407536 5.575432 1.836993 13.507530 -0.000002 148 C 3.679408 3.892197 24.228045 0.097849 27.960674 0.32435243E+03 0.71021386E+04 8.110370 6.060783 0.175270 2.073802 0.999752 25.780896 72.027173 0.658662 0.424690 -1.056727 -0.045759 0.033445 0.003938 0.056816 -0.001898 -0.009822 -0.023575 0.048796 -0.081739 -0.044986 0.005461 0.039525 9.681150 5.999344 -1.943876 1.280101 7.965866 2.064321 15.078242 -0.000002 149 C 3.633525 3.503065 22.880845 -0.199740 37.609058 0.47789213E+03 0.11496486E+05 9.792295 7.322729 0.118078 2.006811 0.999064 30.254679 87.791808 0.605095 0.420772 -1.062145 0.010927 0.011947 -0.005263 0.017024 -0.009781 0.007320 -0.009053 -0.035929 -0.012105 -0.020184 -0.006051 0.026235 11.787487 10.283400 -2.363810 2.034449 7.275733 2.758786 17.803329 -0.000005 150 C 2.482405 4.039222 22.185690 0.112259 37.222660 0.42230521E+03 0.98130224E+04 9.829951 6.925807 -0.192048 1.951638 0.999074 26.422534 74.434147 0.618848 0.425937 -1.062899 -0.003319 -0.003631 -0.002826 0.005673 0.014877 0.001633 -0.005680 0.028607 0.040860 -0.028269 0.013356 0.014913 12.668783 9.337202 -0.853245 4.193862 9.305953 5.434823 19.363194 -0.000001 151 C 1.896828 5.162597 22.663676 -0.200558 34.479923 0.43945872E+03 0.10348606E+05 9.194066 6.999269 0.150825 2.018425 0.999596 29.708054 85.182316 0.622191 0.418041 -1.064289 0.001860 0.005235 0.008630 0.010264 -0.005884 0.003780 -0.016735 -0.007555 0.025778 -0.014411 -0.008378 0.022789 10.837148 7.956019 -1.098880 3.044121 9.483956 4.444730 15.071470 -0.000005 152 C 2.327876 5.680265 23.906333 0.107939 26.436526 0.30316831E+03 0.65028539E+04 7.707405 5.791065 0.377434 2.147521 0.999825 24.973998 68.221907 0.688369 0.414824 -1.066923 0.026006 -0.033971 0.008792 0.043677 0.000519 -0.023704 -0.002312 0.020142 -0.074182 -0.034683 0.002332 0.032351 9.081115 6.224662 -1.215237 2.867859 8.442368 2.355606 12.576313 -0.000004 153 C 4.739498 1.744049 15.002419 0.647635 24.108735 0.24089953E+03 0.49390196E+04 7.770745 5.521293 -0.105178 2.032407 0.999562 21.625195 60.124646 0.629541 0.474544 -1.019021 -0.045109 -0.003527 -0.008625 0.046061 -0.000159 -0.001602 0.006337 -0.154946 -0.129656 -0.056066 -0.043298 0.099364 9.868083 16.751047 -0.078350 -0.213118 4.280262 -0.035849 8.572940 -0.000001 154 C 6.167593 1.768700 15.185638 -0.184755 39.776668 0.43006791E+03 0.10055348E+05 10.131719 6.870786 0.107683 2.007827 0.999609 29.223744 83.019820 0.636413 0.411630 -1.070276 0.016810 0.000209 0.003526 0.017177 -0.002950 0.002619 -0.005084 -0.120074 -0.013465 -0.057982 -0.004766 0.062748 13.611944 26.326823 -0.272564 -2.106580 5.236678 0.357231 9.272330 -0.000001 155 C 7.016008 1.689465 14.152605 -0.177820 39.496073 0.43057284E+03 0.10077609E+05 10.092857 6.873971 0.031576 1.983369 0.999458 29.383317 83.719875 0.635909 0.411529 -1.069545 -0.017293 -0.000378 -0.001588 0.017370 0.002759 0.003417 -0.004284 -0.122502 -0.023918 -0.057576 -0.007964 0.065540 13.512514 26.299554 -0.471820 -2.274688 5.260919 0.332648 8.977070 0.000002 156 C 8.474974 1.676259 14.312653 0.648276 24.243276 0.24259148E+03 0.49790540E+04 7.810518 5.546402 -0.071217 2.047110 0.999545 21.548787 59.812256 0.627562 0.475531 -1.019181 0.048693 0.000161 0.004499 0.048900 0.006712 -0.002294 -0.029611 -0.151311 -0.104964 -0.058513 -0.041462 0.099975 9.907121 16.835624 -0.341809 -0.387169 4.520727 0.937044 8.365013 0.000000 157 C 2.136782 8.027381 15.302575 0.656613 23.206320 0.23410638E+03 0.47700518E+04 7.609221 5.467031 -0.102630 2.040025 0.999353 21.437609 59.602296 0.627878 0.478764 -1.015808 0.002853 0.045980 -0.002211 0.046122 -0.000740 0.038011 0.000245 0.156229 -0.108309 -0.060079 -0.046235 0.106314 9.515025 4.405183 -0.271123 -0.938929 15.739794 0.690222 8.400098 -0.000001 158 C 2.197721 6.549209 15.421129 -0.179239 39.683588 0.44356130E+03 0.10458453E+05 10.137311 6.989383 0.015130 1.973841 0.999459 29.649277 84.774547 0.628980 0.413005 -1.068647 0.004226 -0.017363 0.001690 0.017950 0.010958 -0.009143 -0.005495 0.113075 -0.008142 -0.056630 -0.003788 0.060419 13.398752 5.255653 -0.105720 0.192109 25.779962 2.376423 9.160641 -0.000002 159 C 2.128941 5.715481 14.371930 -0.203489 40.614002 0.44709438E+03 0.10552400E+05 10.249075 6.993753 0.133385 2.009591 0.999656 29.677164 84.627328 0.632560 0.410254 -1.071477 -0.002847 0.019491 -0.002194 0.019819 0.005270 -0.005693 -0.007711 0.102886 0.009808 -0.054307 0.003444 0.050863 13.607829 5.241843 -0.054150 0.184432 25.999693 2.015647 9.581952 0.000001 160 C 2.167813 4.273405 14.523355 0.679212 22.179580 0.21516758E+03 0.43027993E+04 7.396276 5.248716 -0.157608 2.026130 0.999383 21.075526 58.497935 0.637927 0.480132 -1.012694 -0.001912 -0.044572 0.005395 0.044938 -0.000092 0.000049 0.002690 0.159307 -0.144937 -0.056393 -0.047417 0.103809 9.291489 4.066048 -0.148507 -0.085324 15.346774 0.378819 8.461644 0.000000 161 C 7.619451 3.153551 1.506170 0.674715 20.818048 0.21441770E+03 0.42819740E+04 7.117042 5.260372 -0.079009 2.059144 0.999221 20.977452 58.093504 0.633752 0.483953 -1.011182 -0.045972 -0.000379 -0.008821 0.046812 -0.006791 -0.002467 0.012381 -0.175458 -0.150726 -0.063197 -0.050861 0.114059 8.704525 13.893387 0.139171 -0.836492 4.028863 -0.387961 8.191325 0.000001 162 C 0.371405 3.142986 1.644123 -0.193251 37.831839 0.43034911E+03 0.10081121E+05 9.846708 6.892660 0.079551 1.993101 0.999588 29.708335 84.959212 0.631588 0.413984 -1.066890 0.012402 -0.003524 0.003296 0.013307 0.003368 0.011337 0.002490 -0.124114 -0.041884 -0.058050 -0.011174 0.069224 12.755697 24.027315 0.054938 -2.462969 5.091381 -0.160441 9.148394 0.000001 163 C 1.143060 3.170278 0.640728 -0.203710 38.088989 0.41916122E+03 0.97791915E+04 9.902292 6.816929 0.002552 1.969790 0.999547 29.797848 85.744692 0.631476 0.415746 -1.063077 -0.010689 0.000809 -0.000581 0.010735 0.006348 0.014288 0.002357 -0.117265 -0.042927 -0.056562 -0.009691 0.066253 12.873269 24.388522 -0.188864 -2.360886 5.094933 -0.234898 9.136351 -0.000004 164 C 2.618832 3.112173 0.750660 0.674568 22.108508 0.22254388E+03 0.44836223E+04 7.407825 5.349609 -0.089486 2.051078 0.999535 21.101354 58.602771 0.630424 0.482236 -1.012567 0.044097 -0.003296 0.005945 0.044617 0.002274 -0.003409 0.011194 -0.164770 -0.145220 -0.059447 -0.047971 0.107418 9.196937 15.289263 -0.053189 -0.764265 4.116357 -0.297569 8.185191 -0.000001 165 C 5.248537 0.611870 0.768443 0.670678 21.903865 0.22116484E+03 0.44467817E+04 7.350284 5.325822 -0.087250 2.053120 0.999451 21.078107 58.386940 0.633414 0.480937 -1.013737 0.000022 0.046586 0.006721 0.047068 -0.000927 0.016023 -0.003030 0.168059 -0.146564 -0.060465 -0.049616 0.110081 9.131138 4.143401 0.261897 -0.430988 14.980512 -0.634952 8.269500 -0.000001 166 C 5.145508 7.918212 0.651506 -0.183176 39.278994 0.43736181E+03 0.10282376E+05 10.093721 6.949991 0.048636 1.985183 0.999579 29.607643 84.702626 0.629064 0.414151 -1.067250 -0.010959 -0.014003 -0.001435 0.017839 -0.012371 -0.002204 0.008577 0.128921 -0.035881 -0.061072 -0.010654 0.071726 13.236704 5.216761 0.406378 -0.055527 25.113707 -2.264917 9.379643 -0.000004 167 C 5.125043 7.126743 1.689928 -0.192734 39.024753 0.43216477E+03 0.10140580E+05 10.034367 6.903849 0.008912 1.970911 0.999480 29.764141 85.362110 0.631144 0.413585 -1.066488 -0.009694 0.013464 0.002532 0.016783 0.003577 0.000315 0.007996 0.117205 -0.034772 -0.054405 -0.010106 0.064511 13.086810 5.170800 0.163886 -0.169705 24.715347 -2.286326 9.374283 -0.000000 168 C 5.135812 5.655614 1.565985 0.646606 24.132467 0.24487955E+03 0.50403136E+04 7.795763 5.575830 -0.067700 2.046426 0.999538 21.659816 60.303104 0.625033 0.476100 -1.018373 -0.001118 -0.047169 -0.007181 0.047726 -0.006214 0.016283 -0.002496 0.159225 -0.128821 -0.058631 -0.044528 0.103159 9.766353 4.366929 0.302383 -0.496145 16.178005 -0.649208 8.754125 0.000001 169 N 6.020484 7.301060 38.213059 -0.255510 40.088733 0.49622847E+03 0.11809364E+05 9.733734 7.156464 0.069023 2.065318 0.996747 27.194335 73.471758 0.664989 0.387032 -1.106719 -0.039598 -0.027676 -0.110028 0.120167 0.006897 -0.035185 -0.007426 -0.032364 -0.242980 -0.091843 0.031919 0.059925 11.889350 6.190455 2.262949 1.821565 14.279912 -2.215398 15.197682 0.000001 170 N 4.157965 6.230508 31.500769 -0.184637 36.109788 0.45793179E+03 0.10679300E+05 9.139210 6.900429 0.086650 2.087208 0.997065 26.148063 69.889232 0.673568 0.389926 -1.104869 0.036894 0.025838 0.129315 0.136935 -0.028113 -0.016826 -0.019380 -0.013860 -0.195497 -0.073567 0.011824 0.061743 11.214283 7.455982 -2.307358 2.560034 9.391167 2.216099 16.795699 0.000001 171 N 6.787850 6.362566 45.220654 -0.253758 38.365146 0.47114674E+03 0.11085050E+05 9.464183 6.985407 0.136227 2.090194 0.997404 26.955156 72.775334 0.670295 0.388382 -1.104056 -0.030136 -0.049420 0.109429 0.123795 0.004517 0.008808 0.046437 0.010889 -0.239648 -0.096687 0.040682 0.056005 11.474900 13.264294 2.740662 2.844807 6.773810 -1.914426 14.386597 -0.000001 172 N 5.662072 3.810321 51.643565 -0.177747 34.797108 0.43995917E+03 0.10179380E+05 8.938986 6.785476 0.057512 2.079201 0.997238 26.031951 69.782513 0.674555 0.392446 -1.100772 0.025537 0.047098 -0.121732 0.133000 -0.016092 0.013007 0.034298 -0.035959 -0.181572 -0.073820 0.012660 0.061160 10.822260 7.562785 -2.365047 -2.517987 9.239663 -2.220521 15.664331 -0.000002 173 N 2.761860 1.502823 11.269059 -0.255510 40.088732 0.49622846E+03 0.11809363E+05 9.733733 7.156464 0.069024 2.065318 0.996747 27.194335 73.471756 0.664989 0.387032 -1.106719 0.039598 0.027676 -0.110028 0.120167 0.006897 0.035185 0.007426 -0.032364 -0.242980 -0.091843 0.031919 0.059925 11.889349 6.190455 2.262949 -1.821565 14.279911 2.215398 15.197681 0.000001 174 N 4.624379 2.573375 4.556769 -0.184637 36.109789 0.45793179E+03 0.10679300E+05 9.139210 6.900430 0.086650 2.087208 0.997065 26.148063 69.889234 0.673568 0.389926 -1.104869 -0.036894 -0.025838 0.129315 0.136935 -0.028113 0.016826 0.019380 -0.013860 -0.195498 -0.073567 0.011824 0.061743 11.214283 7.455983 -2.307358 -2.560034 9.391167 -2.216099 16.795700 0.000001 175 N 1.994494 2.441317 18.276654 -0.253758 38.365146 0.47114674E+03 0.11085050E+05 9.464183 6.985407 0.136227 2.090194 0.997404 26.955156 72.775335 0.670295 0.388382 -1.104056 0.030136 0.049420 0.109429 0.123795 0.004517 -0.008808 -0.046437 0.010889 -0.239648 -0.096687 0.040682 0.056005 11.474901 13.264295 2.740662 -2.844807 6.773810 1.914426 14.386598 -0.000001 176 N 3.120272 4.993562 24.699565 -0.177747 34.797108 0.43995917E+03 0.10179380E+05 8.938987 6.785476 0.057512 2.079201 0.997238 26.031951 69.782514 0.674555 0.392446 -1.100772 -0.025537 -0.047098 -0.121732 0.133000 -0.016092 -0.013007 -0.034298 -0.035959 -0.181572 -0.073820 0.012660 0.061160 10.822260 7.562786 -2.365047 2.517987 9.239663 2.220521 15.664331 -0.000002 177 O 6.686223 2.952822 34.946907 -0.571157 23.343926 0.33893072E+03 0.72711710E+04 6.379021 5.537323 0.639377 2.280082 0.998801 25.593607 63.869962 0.841575 0.339250 -1.153460 0.013327 -0.109971 0.090559 0.143081 -0.020423 -0.016383 -0.094209 -0.195809 0.409234 -0.170759 -0.020608 0.191367 7.033775 4.003444 -0.029314 -0.127542 9.524612 -3.112734 7.573268 0.000007 178 O 4.385740 1.301214 35.273468 -0.549970 20.533719 0.33407246E+03 0.71582964E+04 5.796064 5.526724 0.383769 2.197960 0.998192 25.621677 64.404754 0.833702 0.342867 -1.147646 0.123120 -0.056921 0.001661 0.135651 -0.123108 0.029157 -0.071890 0.040834 -0.297645 -0.135800 -0.055155 0.190954 5.840674 6.311396 -1.424186 0.561952 6.809918 -0.695395 4.400709 0.000007 179 O 2.338727 6.438280 48.461478 -0.575633 24.757449 0.35878170E+03 0.78059983E+04 6.660240 5.712826 0.521811 2.237428 0.998611 25.819496 64.851504 0.825287 0.341117 -1.152078 -0.116038 0.032195 -0.081744 0.145545 -0.074271 0.084926 -0.027972 0.154446 0.367388 -0.168506 -0.012837 0.181343 7.442384 10.413376 -0.858159 3.344905 4.208511 -0.531040 7.705266 -0.000004 180 O 0.521411 4.291013 47.841766 -0.535241 20.109819 0.32966175E+03 0.70337764E+04 5.700164 5.490229 0.368531 2.199048 0.998229 25.345720 63.381778 0.837226 0.342881 -1.148708 -0.049534 0.118367 0.025188 0.130762 -0.112243 0.051080 -0.003713 -0.127600 -0.354824 -0.144705 -0.046301 0.191007 5.703924 6.248958 -1.317136 0.349099 6.643768 -0.207475 4.219046 -0.000006 181 O 4.541044 6.981479 40.758728 -0.583588 36.914750 0.56092915E+03 0.13605957E+05 8.764261 7.272420 0.280992 2.129418 0.998196 27.992275 73.516850 0.714174 0.353575 -1.145207 0.004013 -0.002734 0.030568 0.030951 -0.007935 -0.071682 -0.000363 -0.066243 0.010746 -0.090236 0.030936 0.059301 10.108558 13.329161 0.028525 -4.847065 5.593346 0.091365 11.403168 0.000002 182 O 4.729992 7.104734 43.005857 -0.568787 35.933372 0.52396617E+03 0.12509789E+05 8.650302 7.042179 0.357161 2.157648 0.998281 27.716281 72.504906 0.722799 0.354930 -1.142725 0.007506 0.003924 -0.033662 0.034711 0.005634 0.084310 -0.010159 -0.088654 -0.096541 -0.115256 0.052974 0.062282 10.166152 14.289615 -0.338466 4.925052 5.692553 -0.443210 10.516288 -0.000001 183 O 8.415447 7.421673 40.190748 -0.583220 35.103683 0.51875925E+03 0.12340818E+05 8.454288 6.943444 0.419602 2.168617 0.998942 27.932785 72.674228 0.738776 0.348510 -1.149232 -0.010441 -0.004475 0.035456 0.037232 -0.014914 0.085695 0.003789 -0.044025 -0.077024 -0.104699 0.033969 0.070730 9.873139 13.816294 -1.185519 4.684846 5.880914 -1.361964 9.922208 0.000004 184 O 8.586231 6.928656 42.371596 -0.558712 36.005047 0.53880930E+03 0.12962224E+05 8.660958 7.177992 0.214425 2.124152 0.996588 27.418832 72.143125 0.710002 0.358593 -1.139101 0.000507 0.002489 -0.024641 0.024772 0.021679 -0.053239 0.012679 -0.099558 0.009341 -0.088518 0.035671 0.052847 9.878355 12.749845 0.857990 -4.372247 5.674211 -0.962831 11.211007 -0.000000 185 O 6.371112 0.275562 41.137560 -0.575828 36.463275 0.55552332E+03 0.13474586E+05 8.759602 7.310128 0.208717 2.116289 0.996129 27.835730 73.681062 0.700026 0.360727 -1.136753 -0.003457 0.005109 0.021964 0.022814 0.020488 -0.009358 0.053292 0.106209 0.030599 -0.090958 0.039119 0.051839 9.950426 5.787665 0.911714 1.035132 12.677336 4.196171 11.386277 0.000001 186 O 6.856228 0.136460 43.311941 -0.567600 33.269464 0.48203100E+03 0.11271349E+05 8.162765 6.704972 0.435092 2.184378 0.998696 27.401736 70.945415 0.748954 0.349744 -1.146908 -0.017059 -0.008710 -0.032199 0.037465 -0.016241 -0.011522 -0.076057 0.052492 -0.073729 -0.098291 0.040361 0.057929 9.457151 5.547432 -1.054718 1.171291 13.079193 -4.370445 9.744828 -0.000003 187 O 6.653682 5.215420 40.430550 -0.589412 37.279002 0.53335950E+03 0.12799870E+05 8.879214 7.117872 0.320521 2.145113 0.998109 27.870521 73.266955 0.716488 0.356214 -1.140880 0.003185 0.012753 0.036963 0.039230 0.002592 0.013515 -0.081669 0.079273 -0.084721 -0.109365 0.047072 0.062293 10.488323 5.721053 -0.498975 0.514171 14.433943 -5.257869 11.309973 0.000003 188 O 6.615365 5.008529 42.600081 -0.584384 36.781701 0.54450310E+03 0.13137896E+05 8.786843 7.208854 0.216116 2.114509 0.997748 27.810657 73.359121 0.709279 0.357901 -1.139284 0.005985 0.001209 -0.033704 0.034253 0.000333 -0.000785 0.057827 0.086806 -0.030715 -0.083768 0.035229 0.048539 10.138153 5.496643 0.193667 0.083315 12.956721 4.778883 11.961095 -0.000001 189 O 1.776907 5.745414 29.477814 -0.560931 32.825857 0.46787630E+03 0.10895831E+05 8.145621 6.668537 0.356056 2.162484 0.998600 27.310623 71.346944 0.737930 0.356419 -1.137657 0.007948 -0.002173 -0.030791 0.031874 0.001531 0.065441 -0.003551 -0.076046 -0.126325 -0.096265 0.037046 0.059219 9.406459 12.969224 0.629771 4.470564 5.341112 0.569991 9.909041 0.000003 190 O 1.577446 5.598389 27.307205 -0.578282 35.083409 0.53620301E+03 0.12906999E+05 8.529014 7.179982 0.200670 2.110081 0.997639 27.804733 73.609192 0.705767 0.360536 -1.135527 -0.003892 0.004512 0.021602 0.022409 -0.005221 -0.052609 -0.004894 -0.084160 -0.027598 -0.078222 0.031105 0.047117 9.643028 12.540070 -0.379250 -4.065392 5.496550 0.599971 10.892463 -0.000002 191 O 5.691752 5.749816 28.844091 -0.584437 35.870640 0.54959144E+03 0.13292404E+05 8.647751 7.247247 0.253006 2.125513 0.997442 27.908452 73.720776 0.706651 0.358375 -1.138834 0.001993 -0.004624 -0.028821 0.029257 -0.002139 -0.064729 -0.006622 -0.085156 -0.019209 -0.089929 0.040912 0.049018 9.841986 12.923854 -0.340758 -4.485145 5.544969 0.469151 11.057133 -0.000000 192 O 5.499258 5.639767 26.648694 -0.581337 34.182930 0.49920896E+03 0.11802163E+05 8.363400 6.873739 0.305833 2.136114 0.998424 27.871005 73.093320 0.729948 0.354924 -1.140134 -0.013342 0.007352 0.040304 0.043087 0.005107 0.081850 -0.006419 -0.066368 -0.145690 -0.113344 0.055484 0.057861 9.666819 13.460149 0.549510 4.534693 5.485457 0.499326 10.054852 -0.000005 193 O 3.664949 7.721886 28.841935 -0.575447 36.110983 0.54158310E+03 0.13057907E+05 8.702802 7.208260 0.230137 2.122733 0.996970 27.718026 73.234925 0.706107 0.359772 -1.137102 0.007656 -0.001303 -0.027225 0.028311 -0.002831 -0.004535 -0.060847 0.092440 -0.014380 -0.088388 0.039178 0.049210 9.989822 5.590278 -0.501582 0.703021 13.088297 -4.483997 11.290891 -0.000000 194 O 3.478721 7.557253 26.654083 -0.568808 33.512322 0.48286418E+03 0.11311160E+05 8.240662 6.744889 0.428068 2.183793 0.998516 27.425911 71.389993 0.740062 0.353310 -1.142440 0.016340 -0.016876 0.034603 0.041823 0.007559 -0.008258 0.082020 0.069002 -0.109442 -0.109782 0.053499 0.056283 9.560644 5.406518 0.518692 0.502042 13.356448 4.435610 9.918966 -0.000004 195 O 3.822109 3.814723 29.578045 -0.567695 34.984918 0.50881209E+03 0.12067878E+05 8.492086 6.924864 0.313198 2.140757 0.998312 27.756619 72.541316 0.730695 0.353424 -1.143115 0.006985 0.015850 -0.038820 0.042509 0.006035 0.001274 0.089049 0.061109 -0.113834 -0.114837 0.047901 0.066936 9.927426 5.627442 0.861418 0.909692 13.551515 4.706810 10.603322 0.000001 196 O 3.609462 3.660655 27.337382 -0.581901 38.104418 0.58187831E+03 0.14263577E+05 9.016081 7.463770 0.201505 2.108659 0.996896 28.109714 74.547577 0.695976 0.359017 -1.139282 0.012333 -0.001110 0.022413 0.025606 -0.010917 -0.010007 -0.067541 0.080144 0.036974 -0.092263 0.035342 0.056921 10.359425 5.761409 -0.357069 0.502323 13.165817 -4.661748 12.151050 -0.000002 197 O 2.096121 5.851061 8.002907 -0.571157 23.343924 0.33893070E+03 0.72711702E+04 6.379020 5.537322 0.639377 2.280082 0.998801 25.593607 63.869960 0.841575 0.339250 -1.153460 -0.013327 0.109971 0.090559 0.143081 -0.020423 0.016383 0.094209 -0.195809 0.409234 -0.170759 -0.020608 0.191367 7.033774 4.003444 -0.029314 0.127542 9.524612 3.112734 7.573268 0.000007 198 O 4.396604 7.502669 8.329468 -0.549970 20.533718 0.33407243E+03 0.71582957E+04 5.796063 5.526723 0.383769 2.197960 0.998192 25.621677 64.404752 0.833702 0.342867 -1.147646 -0.123120 0.056921 0.001661 0.135651 -0.123108 -0.029157 0.071890 0.040834 -0.297645 -0.135800 -0.055155 0.190954 5.840674 6.311395 -1.424186 -0.561952 6.809918 0.695395 4.400708 0.000007 199 O 6.443617 2.365603 21.517478 -0.575633 24.757453 0.35878176E+03 0.78060001E+04 6.660241 5.712827 0.521811 2.237428 0.998611 25.819496 64.851509 0.825287 0.341117 -1.152078 0.116038 -0.032195 -0.081744 0.145545 -0.074271 -0.084926 0.027972 0.154446 0.367388 -0.168506 -0.012837 0.181343 7.442386 10.413379 -0.858159 -3.344905 4.208511 0.531040 7.705267 -0.000004 200 O 8.260933 4.512870 20.897766 -0.535241 20.109819 0.32966175E+03 0.70337764E+04 5.700164 5.490229 0.368531 2.199048 0.998229 25.345720 63.381778 0.837226 0.342881 -1.148708 0.049534 -0.118367 0.025188 0.130762 -0.112243 -0.051080 0.003713 -0.127600 -0.354824 -0.144705 -0.046301 0.191007 5.703924 6.248958 -1.317136 -0.349099 6.643768 0.207474 4.219046 -0.000006 201 O 4.241300 1.822404 13.814728 -0.583588 36.914748 0.56092912E+03 0.13605956E+05 8.764260 7.272419 0.280992 2.129418 0.998196 27.992275 73.516847 0.714174 0.353575 -1.145207 -0.004013 0.002734 0.030568 0.030951 -0.007935 0.071682 0.000363 -0.066243 0.010746 -0.090236 0.030936 0.059301 10.108557 13.329159 0.028525 4.847065 5.593346 -0.091365 11.403167 0.000002 202 O 4.052352 1.699149 16.061857 -0.568787 35.933372 0.52396616E+03 0.12509789E+05 8.650302 7.042179 0.357161 2.157648 0.998281 27.716281 72.504906 0.722799 0.354930 -1.142725 -0.007506 -0.003924 -0.033662 0.034711 0.005634 -0.084310 0.010159 -0.088654 -0.096541 -0.115256 0.052974 0.062282 10.166152 14.289615 -0.338466 -4.925051 5.692553 0.443210 10.516288 -0.000001 203 O 0.366897 1.382210 13.246748 -0.583220 35.103681 0.51875921E+03 0.12340817E+05 8.454288 6.943443 0.419602 2.168617 0.998942 27.932784 72.674225 0.738776 0.348510 -1.149232 0.010441 0.004475 0.035456 0.037232 -0.014914 -0.085695 -0.003789 -0.044025 -0.077024 -0.104699 0.033969 0.070730 9.873138 13.816293 -1.185519 -4.684845 5.880914 1.361964 9.922208 0.000004 204 O 0.196113 1.875227 15.427596 -0.558712 36.005048 0.53880931E+03 0.12962224E+05 8.660958 7.177992 0.214425 2.124152 0.996588 27.418832 72.143126 0.710002 0.358593 -1.139101 -0.000507 -0.002489 -0.024641 0.024772 0.021679 0.053239 -0.012679 -0.099558 0.009341 -0.088518 0.035671 0.052847 9.878355 12.749845 0.857990 4.372247 5.674212 0.962831 11.211007 -0.000000 205 O 2.411232 8.528321 14.193560 -0.575828 36.463274 0.55552332E+03 0.13474586E+05 8.759602 7.310129 0.208717 2.116289 0.996129 27.835730 73.681062 0.700026 0.360727 -1.136753 0.003457 -0.005109 0.021964 0.022814 0.020488 0.009358 -0.053292 0.106209 0.030599 -0.090958 0.039119 0.051839 9.950426 5.787665 0.911714 -1.035132 12.677336 -4.196171 11.386277 0.000001 206 O 1.926116 8.667423 16.367941 -0.567600 33.269462 0.48203096E+03 0.11271347E+05 8.162765 6.704971 0.435093 2.184378 0.998696 27.401735 70.945412 0.748954 0.349744 -1.146908 0.017059 0.008710 -0.032199 0.037465 -0.016241 0.011522 0.076057 0.052492 -0.073729 -0.098291 0.040361 0.057929 9.457151 5.547432 -1.054718 -1.171291 13.079192 4.370445 9.744828 -0.000003 207 O 2.128662 3.588463 13.486550 -0.589412 37.279002 0.53335950E+03 0.12799870E+05 8.879214 7.117872 0.320520 2.145113 0.998109 27.870521 73.266955 0.716488 0.356214 -1.140880 -0.003185 -0.012753 0.036963 0.039230 0.002592 -0.013515 0.081669 0.079273 -0.084721 -0.109365 0.047072 0.062293 10.488323 5.721053 -0.498975 -0.514171 14.433943 5.257869 11.309973 0.000003 208 O 2.166979 3.795354 15.656081 -0.584384 36.781700 0.54450308E+03 0.13137895E+05 8.786843 7.208854 0.216115 2.114509 0.997748 27.810656 73.359119 0.709279 0.357901 -1.139284 -0.005985 -0.001209 -0.033704 0.034253 0.000333 0.000785 -0.057827 0.086806 -0.030715 -0.083768 0.035229 0.048539 10.138153 5.496643 0.193667 -0.083315 12.956721 -4.778883 11.961095 -0.000001 209 O 7.005437 3.058469 2.533814 -0.560931 32.825858 0.46787630E+03 0.10895831E+05 8.145621 6.668537 0.356057 2.162484 0.998600 27.310623 71.346944 0.737930 0.356419 -1.137657 -0.007948 0.002173 -0.030791 0.031874 0.001531 -0.065441 0.003551 -0.076046 -0.126325 -0.096265 0.037046 0.059219 9.406459 12.969224 0.629771 -4.470564 5.341112 -0.569991 9.909041 0.000003 210 O 7.204898 3.205494 0.363205 -0.578282 35.083412 0.53620305E+03 0.12907000E+05 8.529014 7.179982 0.200670 2.110081 0.997639 27.804734 73.609196 0.705767 0.360536 -1.135527 0.003892 -0.004513 0.021602 0.022409 -0.005221 0.052609 0.004894 -0.084160 -0.027598 -0.078222 0.031105 0.047117 9.643028 12.540071 -0.379250 4.065393 5.496550 -0.599971 10.892464 -0.000002 211 O 3.090592 3.054067 1.900091 -0.584437 35.870643 0.54959150E+03 0.13292406E+05 8.647752 7.247248 0.253006 2.125513 0.997442 27.908452 73.720780 0.706651 0.358375 -1.138834 -0.001993 0.004625 -0.028821 0.029257 -0.002139 0.064729 0.006622 -0.085156 -0.019209 -0.089929 0.040912 0.049018 9.841987 12.923856 -0.340758 4.485145 5.544970 -0.469151 11.057134 -0.000000 212 O 3.283086 3.164116 53.592694 -0.581337 34.182924 0.49920886E+03 0.11802160E+05 8.363399 6.873738 0.305833 2.136114 0.998424 27.871004 73.093313 0.729948 0.354924 -1.140134 0.013342 -0.007352 0.040304 0.043087 0.005107 -0.081850 0.006419 -0.066368 -0.145690 -0.113344 0.055484 0.057860 9.666817 13.460146 0.549509 -4.534693 5.485456 -0.499325 10.054851 -0.000005 213 O 5.117395 1.081997 1.897935 -0.575447 36.110983 0.54158310E+03 0.13057907E+05 8.702803 7.208260 0.230137 2.122733 0.996970 27.718026 73.234925 0.706107 0.359772 -1.137102 -0.007656 0.001303 -0.027225 0.028311 -0.002831 0.004535 0.060847 0.092440 -0.014380 -0.088388 0.039178 0.049210 9.989822 5.590278 -0.501582 -0.703021 13.088297 4.483997 11.290890 -0.000000 214 O 5.303623 1.246630 53.598083 -0.568808 33.512321 0.48286417E+03 0.11311160E+05 8.240662 6.744889 0.428068 2.183792 0.998516 27.425911 71.389993 0.740062 0.353310 -1.142440 -0.016340 0.016876 0.034603 0.041823 0.007559 0.008258 -0.082020 0.069002 -0.109442 -0.109782 0.053499 0.056283 9.560644 5.406518 0.518692 -0.502042 13.356447 -4.435610 9.918966 -0.000004 215 O 4.960235 4.989160 2.634045 -0.567695 34.984925 0.50881220E+03 0.12067881E+05 8.492088 6.924865 0.313197 2.140757 0.998312 27.756621 72.541325 0.730695 0.353424 -1.143115 -0.006985 -0.015850 -0.038820 0.042509 0.006035 -0.001274 -0.089049 0.061109 -0.113834 -0.114837 0.047901 0.066936 9.927428 5.627442 0.861418 -0.909692 13.551518 -4.706811 10.603323 0.000001 216 O 5.172882 5.143228 0.393382 -0.581901 38.104417 0.58187828E+03 0.14263576E+05 9.016080 7.463770 0.201505 2.108659 0.996896 28.109714 74.547576 0.695976 0.359017 -1.139282 -0.012333 0.001110 0.022413 0.025606 -0.010917 0.010007 0.067541 0.080144 0.036974 -0.092263 0.035342 0.056921 10.359425 5.761409 -0.357069 -0.502323 13.165817 4.661748 12.151050 -0.000002 ****************************************************** Auxiliary information for the entire system The total spin magnetic moment of the unit cell is 0.000004 The total net atomic charge of the unit cell is -0.000004 Accuracy of reproducing the electrostatic potential in the unit cell: The inner radius (bohr) = 5.0000 The outer radius (bohr) = 12.0000 Valid grid points have density less than (e/(bohr^3)) = 0.0001 The number of valid grid points were= 253708 The rms potential error without charges in kcal/mol is= 8.59270 The rms potential error with partial charges in kcal/mol is= 1.25344 The RRMSE value at monopole order= 0.14587 The rms potential error with partial charges and cloud penetration in kcal/mol is= 1.24789 The RRMSE value at monopole order with cloud penetration is= 0.14523 The rms potential error with partial charges and atomic dipoles in kcal/mol is= 0.99585 The RRMSE value at dipole order= 0.11589 The rms potential error with partial charges, atomic dipoles and cloud penetration in kcal/mol is= 0.98361 The RRMSE value at dipole order with cloud penetration= 0.11447 ****************************************************** 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.