208 jmolscript: load "" {1 1 1} spacegroup "x,y,z" unitcell [{ 14.207000 0.000000 0.000000 }, { -4.277544 13.921663 0.000000 }, { 0.000000 0.000000 26.220000 }] Cu 6.146511 6.062745 20.904157 0.733532 Cu 1.677897 13.542019 12.579045 0.852069 Cu 10.886445 7.858918 7.794157 0.733902 Cu 1.148059 0.379644 25.689045 0.849890 Cu 3.782945 7.858918 5.315843 0.733582 Cu 8.251559 0.379644 13.640955 0.852058 Cu -0.956989 6.062745 18.425843 0.733933 Cu 8.781397 13.542019 0.530955 0.848384 H 8.232363 7.450874 19.366092 0.104462 H 8.414699 8.933531 17.493984 0.132896 H 6.472961 9.505711 16.342926 0.121892 H 4.293767 7.697287 19.166820 0.102683 H 4.718610 10.850544 16.104324 0.125729 H 0.815525 10.334050 15.270528 0.133159 H 2.691386 7.673621 17.677524 0.116481 H 4.917702 3.632162 22.352550 0.107296 H 5.726150 1.648325 23.259762 0.123133 H 7.986411 1.329519 23.495742 0.116243 H 8.570122 4.964465 21.799308 0.101035 H 10.334640 1.755522 24.235146 0.120621 H -0.345081 2.810784 22.512492 0.141031 H 10.356381 4.056773 20.913072 0.124741 H 8.800593 6.470789 6.256092 0.104893 H 8.618257 4.988132 4.383984 0.132968 H 10.559995 4.415952 3.232926 0.121497 H -1.467811 6.224376 6.056820 0.102886 H 12.314346 3.071119 2.994324 0.126121 H 2.010431 3.587613 2.160528 0.133437 H 0.134570 6.248042 4.567524 0.117032 H -2.091746 10.289501 9.242550 0.107279 H -2.900194 12.273338 10.149762 0.123337 H 9.046545 12.592144 10.385742 0.116496 H 8.462834 8.957198 8.689308 0.101103 H 6.698316 12.166141 11.125146 0.120203 H 3.171037 11.110879 9.402492 0.140621 H 6.676575 9.864890 7.803072 0.123915 H 1.697093 6.470789 6.853908 0.104472 H 1.514757 4.988132 8.726016 0.132908 H 3.456495 4.415952 9.877074 0.121894 H 5.635689 6.224376 7.053180 0.102695 H 5.210846 3.071119 10.115676 0.125728 H 9.113931 3.587613 10.949472 0.133157 H 7.238070 6.248042 8.542476 0.116487 H 5.011754 10.289501 3.867450 0.107312 H 4.203306 12.273338 2.960238 0.123147 H 1.943045 12.592144 2.724258 0.116247 H 1.359334 8.957198 4.420692 0.101042 H -0.405184 12.166141 1.984854 0.120584 H 10.274537 11.110879 3.707508 0.141021 H -0.426925 9.864890 5.306928 0.124718 H 1.128863 7.450874 19.963908 0.104908 H 1.311199 8.933531 21.836016 0.132982 H -0.630539 9.505711 22.987074 0.121513 H 11.397267 7.697287 20.163180 0.102900 H -2.384890 10.850544 23.225676 0.126106 H 7.919025 10.334050 24.059472 0.133447 H 9.794886 7.673621 21.652476 0.117012 H 12.021202 3.632162 16.977450 0.107288 H 12.829650 1.648325 16.070238 0.123355 H 0.882911 1.329519 15.834258 0.116511 H 1.466622 4.964465 17.530692 0.101119 H 3.231140 1.755522 15.094854 0.120207 H 6.758419 2.810784 16.817508 0.140622 H 3.252881 4.056773 18.416928 0.123907 C 7.453739 7.779425 18.933462 0.082768 C 7.565735 8.635608 17.798136 -0.118949 C 6.414260 9.017061 17.155746 -0.086643 C 5.167378 8.701039 17.669658 0.048505 C 5.138271 7.917250 18.789252 0.019269 C 3.899941 9.113121 17.016780 0.060641 C 3.925010 10.335443 16.188228 -0.164084 C 2.764309 10.709935 15.535350 0.003787 C 1.608325 10.033343 15.697914 -0.115411 C 1.582660 8.836080 16.531710 0.018797 C 2.714673 8.453234 17.134770 -0.162152 C 0.272860 8.119114 16.728360 0.541195 C 2.757282 11.921120 14.628138 0.597744 C 5.851409 3.483200 22.431210 0.076455 C 6.331192 2.319349 22.966098 -0.116637 C 7.671128 2.124446 23.081466 -0.094994 C 8.626056 3.080864 22.593774 0.039236 C 8.008878 4.257245 22.092972 0.054959 C 10.048744 2.954177 22.606884 0.075408 C 10.798836 2.219113 23.545560 -0.151125 C 12.138359 2.141152 23.514096 -0.007682 C 12.912021 2.827490 22.525602 -0.130097 C 12.141214 3.537495 21.563328 0.004346 C 10.811957 3.582044 21.597414 -0.151351 C 12.981164 1.330911 24.515700 0.601228 C -1.208426 4.335206 20.501418 0.550999 C 9.579217 6.142238 5.823462 0.084052 C 9.467221 5.286055 4.688136 -0.118779 C 10.618696 4.904602 4.045746 -0.087168 C 11.865578 5.220624 4.559658 0.047761 C 11.894685 6.004413 5.679252 0.019762 C -1.073985 4.808542 3.906780 0.062148 C -1.099054 3.586220 3.078228 -0.165213 C 0.061647 3.211728 2.425350 0.006378 C 1.217631 3.888320 2.587914 -0.116422 C 1.243296 5.085583 3.421710 0.020305 C 0.111283 5.468429 4.024770 -0.161420 C 2.553096 5.802549 3.618360 0.541274 C 0.068674 2.000543 1.518138 0.597309 C -3.025453 10.438463 9.321210 0.075343 C -3.505236 11.602314 9.856098 -0.116550 C 9.361828 11.797217 9.971466 -0.095165 C 8.406900 10.840799 9.483774 0.039988 C 9.024078 9.664418 8.982972 0.054383 C 6.984212 10.967486 9.496884 0.074084 C 6.234120 11.702550 10.435560 -0.149983 C 4.894597 11.780511 10.404096 -0.010965 C 4.120935 11.094173 9.415602 -0.129486 C 4.891742 10.384168 8.453328 0.002955 C 6.220999 10.339619 8.487414 -0.152837 C 4.051792 12.590752 11.405700 0.601832 C 4.034382 9.586457 7.391418 0.551382 C 2.475717 6.142238 7.286538 0.082764 C 2.363721 5.286055 8.421864 -0.118932 C 3.515196 4.904602 9.064254 -0.086635 C 4.762078 5.220624 8.550342 0.048515 C 4.791185 6.004413 7.430748 0.019272 C 6.029515 4.808542 9.203220 0.060637 C 6.004446 3.586220 10.031772 -0.164087 C 7.165147 3.211728 10.684650 0.003785 C 8.321131 3.888320 10.522086 -0.115410 C 8.346796 5.085583 9.688290 0.018804 C 7.214783 5.468429 9.085230 -0.162143 C 9.656596 5.802549 9.491640 0.541181 C 7.172174 2.000543 11.591862 0.597746 C 4.078047 10.438463 3.788790 0.076421 C 3.598264 11.602314 3.253902 -0.116619 C 2.258328 11.797217 3.138534 -0.095012 C 1.303400 10.840799 3.626226 0.039284 C 1.920578 9.664418 4.127028 0.054928 C -0.119288 10.967486 3.613116 0.075335 C -0.869380 11.702550 2.674440 -0.151168 C -2.208903 11.780511 2.705904 -0.007760 C -2.982565 11.094173 3.694398 -0.130081 C -2.211758 10.384168 4.656672 0.004263 C -0.882501 10.339619 4.622586 -0.151322 C -3.051708 12.590752 1.704300 0.601241 C 11.137882 9.586457 5.718582 0.551012 C 0.350239 7.779425 20.396538 0.084032 C 0.462235 8.635608 21.531864 -0.118756 C -0.689240 9.017061 22.174254 -0.087155 C -1.936122 8.701039 21.660342 0.047796 C -1.965229 7.917250 20.540748 0.019735 C 11.003441 9.113121 22.313220 0.062098 C -3.178490 10.335443 23.141772 -0.165223 C 9.867809 10.709935 23.794650 0.006380 C 8.711825 10.033343 23.632086 -0.116428 C 8.686160 8.836080 22.798290 0.020280 C 9.818173 8.453234 22.195230 -0.161412 C 7.376360 8.119114 22.601640 0.541290 C 9.860782 11.921120 24.701862 0.597318 C 12.954909 3.483200 16.898790 0.075312 C 13.434692 2.319349 16.363902 -0.116524 C 0.567628 2.124446 16.248534 -0.095143 C 1.522556 3.080864 16.736226 0.040012 C 0.905378 4.257245 17.237028 0.054381 C 2.945244 2.954177 16.723116 0.074063 C 3.695336 2.219113 15.784440 -0.149973 C 5.034859 2.141152 15.815904 -0.010955 C 5.808521 2.827490 16.804398 -0.129467 C 5.037714 3.537495 17.766672 0.002958 C 3.708457 3.582044 17.732586 -0.152839 C 5.877664 1.330911 14.814300 0.601831 C 5.895074 4.335206 18.828582 0.551388 N 6.244238 7.448090 19.376580 -0.189257 N 6.736035 4.418736 22.014312 -0.181426 N 10.788718 6.473573 6.266580 -0.189192 N 10.296921 9.502927 8.904312 -0.181534 N 3.685218 6.473573 6.843420 -0.189242 N 3.193421 9.502927 4.205688 -0.181368 N -0.859262 7.448090 19.953420 -0.189142 N -0.367465 4.418736 17.315688 -0.181493 O -0.722822 8.169232 15.902430 -0.568268 O 0.377286 7.090303 17.487429 -0.568847 O 1.791052 12.060337 13.837081 -0.520953 O 3.756606 12.686811 14.729347 -0.542319 O 12.228461 0.705828 25.357624 -0.547287 O -0.016270 1.347617 24.465358 -0.501932 O 0.024680 4.390893 20.519510 -0.546118 O 12.230900 4.910171 19.623310 -0.562751 O 3.548778 5.752431 2.792430 -0.569952 O 2.448670 6.831360 4.377429 -0.569234 O 1.034904 1.861326 0.727081 -0.517542 O 13.276350 1.234852 1.619347 -0.538611 O 4.804495 13.215835 12.247624 -0.551203 O 2.842226 12.574046 11.355358 -0.506203 O 2.801276 9.530770 7.409510 -0.546853 O 4.802056 9.011492 6.513310 -0.563168 O 10.652278 5.752431 10.317570 -0.568237 O 9.552170 6.831360 8.732571 -0.568771 O 8.138404 1.861326 12.382919 -0.520956 O 6.172850 1.234852 11.490653 -0.542311 O -2.299005 13.215835 0.862376 -0.547445 O 9.945726 12.574046 1.754642 -0.501904 O 9.904776 9.530770 5.700490 -0.546266 O -2.301444 9.011492 6.596690 -0.563063 O 6.380678 8.169232 23.427570 -0.569948 O 7.480786 7.090303 21.842571 -0.569410 O 8.894552 12.060337 25.492919 -0.517565 O -3.346894 12.686811 24.600653 -0.538767 O 5.124961 0.705828 13.972376 -0.551208 O 7.087230 1.347617 14.864642 -0.506212 O 7.128180 4.390893 18.810490 -0.546870 O 5.127400 4.910171 19.706690 -0.563200 The following XYZ coordinates are in angstroms. Other properties are in atomic units. The sperically averaged electron density of each atom fit to a function of the form exp(a - br) eigen_1, eigen_2 and eigen_3 are the three eigenvalues of traceless quadrupole moment tensor atom number atomic symbol X Y Z net charge C6 coefficient C8 coefficient C10 coefficient fluctuating dipole atomic polarizability isotropic forcefield polarizability a b squared Pearson coefficient wp_QDO m_QDO q_QDO dipole_x dipole_y dipole_z dipole Qxy Qxz Qyz Q(x^2-y^2) Q(3z^2 - R^2) eigen_1 eigen_2 eigen_3 static polarizability alpha(xx) alpha(xy) alpha(xz) alpha(yy) alpha(yz) alpha(zz) atomic spin moment 1 Cu 6.146511 6.062745 20.904157 0.733532 68.694804 0.10125824E+04 0.27661338E+05 14.788699 11.155806 0.878066 2.175068 0.995032 43.534885 110.442735 0.486475 0.460896 -1.103094 0.006414 0.001274 0.001640 0.006742 0.038092 0.025294 0.059908 0.136802 -0.118836 -0.104830 -0.004972 0.109802 19.265824 13.076517 2.264471 8.128011 22.540867 0.340996 22.180090 0.685390 2 Cu 1.677897 13.542019 12.579045 0.852069 51.174970 0.76742485E+03 0.19483725E+05 12.024294 9.568243 1.008184 2.253795 0.995850 40.004220 96.587934 0.539275 0.447363 -1.115722 -0.121253 -0.044672 -0.062265 0.143439 -0.041538 -0.062005 -0.020155 -0.124695 0.092634 -0.118755 0.058152 0.060603 15.593855 10.367828 -3.121516 -3.982029 18.891486 -1.343034 17.522252 0.697691 3 Cu 10.886445 7.858918 7.794157 0.733902 68.619478 0.10114669E+04 0.27622638E+05 14.777027 11.148896 0.879393 2.175676 0.995022 43.519389 110.378988 0.486686 0.460833 -1.103156 -0.005941 -0.001109 0.001661 0.006268 0.038140 -0.025145 -0.059921 0.137212 -0.119484 -0.105007 -0.004978 0.109985 19.247508 13.068002 2.261708 -8.118853 22.520956 -0.337705 22.153566 0.685410 4 Cu 1.148059 0.379644 25.689045 0.849890 51.114782 0.76727127E+03 0.19478879E+05 12.015133 9.568644 1.000578 2.251786 0.995836 40.002516 96.581922 0.539148 0.447490 -1.115642 0.122314 0.044774 -0.062508 0.144474 -0.040982 0.061051 0.019951 -0.122008 0.090698 -0.116678 0.057156 0.059522 15.569926 10.356453 -3.111023 3.970202 18.858331 1.341860 17.494994 0.632133 5 Cu 3.782945 7.858918 5.315843 0.733582 68.685254 0.10124427E+04 0.27656497E+05 14.787270 11.154977 0.878045 2.175088 0.995032 43.532710 110.434239 0.486498 0.460891 -1.103099 -0.006371 -0.001286 -0.001653 0.006706 0.038058 0.025247 0.059907 0.136843 -0.118863 -0.104843 -0.004934 0.109777 19.263620 13.075218 2.263989 8.126909 22.538234 0.340680 22.177408 0.684458 6 Cu 8.251559 0.379644 13.640955 0.852058 51.176565 0.76744981E+03 0.19484532E+05 12.024576 9.568426 1.008127 2.253772 0.995850 40.004629 96.589609 0.539267 0.447365 -1.115720 0.121245 0.044670 0.062263 0.143431 -0.041541 -0.062009 -0.020158 -0.124701 0.092634 -0.118762 0.058155 0.060607 15.594279 10.368073 -3.121622 -3.982176 18.892032 -1.343087 17.522732 0.697714 7 Cu -0.956989 6.062745 18.425843 0.733933 68.611673 0.10113578E+04 0.27618871E+05 14.775905 11.148292 0.879288 2.175668 0.995022 43.517564 110.372223 0.486701 0.460833 -1.103158 0.005897 0.001131 -0.001696 0.006240 0.038119 -0.025110 -0.059880 0.137287 -0.119565 -0.104993 -0.004991 0.109984 19.245722 13.067035 2.261369 -8.117944 22.518794 -0.337344 22.151336 0.684207 8 Cu 8.781397 13.542019 0.530955 0.848384 51.229882 0.76927645E+03 0.19543637E+05 12.035474 9.583404 0.996910 2.250300 0.995822 40.033825 96.709646 0.538511 0.447701 -1.115447 -0.122435 -0.044836 0.062541 0.144610 -0.040970 0.061066 0.019976 -0.122061 0.090692 -0.116707 0.057143 0.059564 15.598333 10.373997 -3.117586 3.978294 18.893646 1.344728 17.527357 -0.711445 9 H 8.232363 7.450874 19.366092 0.104462 1.250369 0.87655899E+01 0.87930924E+02 1.914787 1.726893 -1.038151 2.384233 0.997451 3.562231 10.039053 0.478591 1.275795 -0.710375 0.044212 -0.018063 0.018151 0.051092 -0.004965 0.002401 -0.009137 0.027471 -0.033463 -0.018967 -0.001744 0.020711 2.063335 2.547633 -0.329373 0.664129 1.642995 -0.258476 1.999377 0.000672 10 H 8.414699 8.933531 17.493984 0.132896 1.104056 0.76976592E+01 0.73037522E+02 1.623957 1.517694 -0.772396 2.524356 0.999767 3.010890 7.650569 0.575278 1.122124 -0.750741 0.034037 0.014917 -0.014661 0.039950 0.004166 0.000270 -0.015348 0.021836 -0.003310 -0.022134 0.008684 0.013449 1.666102 2.192873 0.241370 -0.197297 1.386401 -0.118734 1.419033 0.000551 11 H 6.472961 9.505711 16.342926 0.121892 1.113764 0.79188003E+01 0.75770630E+02 1.631899 1.537067 -0.796436 2.503250 0.999513 3.125713 8.010622 0.572147 1.118812 -0.750295 0.005619 0.017044 -0.035066 0.039391 0.003257 -0.003843 -0.011611 0.010401 0.021383 -0.014963 -0.000096 0.015059 1.667787 1.483887 -0.057693 0.034744 1.558439 -0.446631 1.961035 0.000015 12 H 4.293767 7.697287 19.166820 0.102683 1.213819 0.90368022E+01 0.91216845E+02 1.863928 1.745160 -1.082695 2.360803 0.996695 3.584836 10.087924 0.480130 1.263825 -0.713050 -0.041107 -0.009378 0.017464 0.045637 0.001743 -0.009087 -0.005585 0.022338 -0.007214 -0.013299 -0.003991 0.017290 1.918556 2.508248 0.114181 -0.182831 1.564888 -0.168505 1.682531 0.000768 13 H 4.718610 10.850544 16.104324 0.125729 1.209694 0.91914321E+01 0.92316793E+02 1.789682 1.706669 -1.189472 2.315753 0.996008 3.463802 9.434578 0.513171 1.188357 -0.730819 0.031174 0.026779 -0.004465 0.041339 0.010600 0.002140 -0.002431 0.011614 -0.019168 -0.011064 -0.004234 0.015298 1.812305 2.065305 0.226927 0.044016 1.847873 -0.223513 1.523736 0.000225 14 H 0.815525 10.334050 15.270528 0.133159 1.330822 0.10320148E+02 0.10719846E+03 1.951095 1.843453 -1.346196 2.251321 0.994181 3.572773 10.048621 0.477523 1.234837 -0.720468 -0.035640 0.014098 -0.021801 0.044094 -0.009725 0.007632 -0.002027 0.008890 -0.012981 -0.010226 -0.005484 0.015710 1.988940 2.245261 -0.172744 0.312029 1.897134 -0.344025 1.824425 0.000236 15 H 2.691386 7.673621 17.677524 0.116481 1.071030 0.77810602E+01 0.76149261E+02 1.745580 1.640335 -1.144077 2.329959 0.996653 3.633193 10.282180 0.482638 1.296754 -0.703909 -0.002561 -0.031126 0.015819 0.035009 -0.002205 0.004269 -0.008643 -0.014241 -0.002376 -0.009380 -0.004418 0.013798 1.811302 1.711765 0.090888 0.019287 2.042601 -0.450155 1.679541 0.000194 16 H 4.917702 3.632162 22.352550 0.107296 1.316388 0.93650598E+01 0.93819294E+02 1.868541 1.705295 -0.871820 2.467179 0.998775 3.272503 8.693796 0.525055 1.164447 -0.739885 -0.052864 0.003661 -0.002754 0.053063 0.001398 -0.000883 -0.008297 0.022975 -0.058898 -0.022881 0.001442 0.021439 1.964243 2.809739 -0.159534 0.098307 1.539648 -0.095375 1.543340 0.000654 17 H 5.726150 1.648325 23.259762 0.123133 1.129758 0.76991651E+01 0.72840400E+02 1.625114 1.496333 -0.759685 2.521291 0.999713 3.049693 7.663813 0.593654 1.090546 -0.758350 -0.023403 -0.028256 0.010428 0.038142 0.001420 0.000830 -0.012857 0.005187 -0.050025 -0.022577 0.010293 0.012284 1.706234 1.859662 0.491636 -0.231509 1.842266 -0.276219 1.416775 0.000607 18 H 7.986411 1.329519 23.495742 0.116243 1.158939 0.83545268E+01 0.80948515E+02 1.673373 1.577925 -0.798034 2.501006 0.999435 3.156166 8.116912 0.565636 1.117588 -0.751141 0.010709 -0.033662 0.018560 0.039903 -0.000945 0.000451 -0.012686 -0.001725 -0.033367 -0.017773 0.004570 0.013203 1.707325 1.633637 -0.219504 0.146607 1.985415 -0.365678 1.502924 0.000045 19 H 8.570122 4.964465 21.799308 0.101035 1.138863 0.82923943E+01 0.82518653E+02 1.821113 1.695261 -1.278242 2.265986 0.994797 3.746918 10.719826 0.473598 1.299644 -0.702975 0.027422 0.035732 -0.012539 0.046754 0.010110 -0.003063 -0.003670 0.004914 -0.012477 -0.008613 -0.005097 0.013710 1.889912 1.980112 0.287787 -0.108519 2.230973 -0.244843 1.458651 0.001112 20 H 10.334640 1.755522 24.235146 0.120621 1.235951 0.93950428E+01 0.94755520E+02 1.809775 1.720471 -1.130781 2.340637 0.996402 3.464495 9.415631 0.514012 1.181483 -0.732842 -0.015840 -0.019283 0.028792 0.038102 0.003927 -0.008557 -0.007834 0.009229 0.008019 -0.010686 -0.004198 0.014884 1.839681 1.871994 0.088520 -0.138768 1.680083 -0.405757 1.966966 -0.000357 21 H -0.345081 2.810784 22.512492 0.141031 1.223655 0.92804943E+01 0.93650098E+02 1.820886 1.729761 -1.348525 2.253997 0.994722 3.455071 9.503609 0.502038 1.209017 -0.726015 0.044762 -0.000454 0.000390 0.044766 -0.002763 0.001967 0.002600 0.024257 -0.023280 -0.011036 -0.005399 0.016435 1.849570 2.347235 -0.057713 0.000389 1.550167 -0.193162 1.651310 0.000176 22 H 10.356381 4.056773 20.913072 0.124741 1.135473 0.83999156E+01 0.83432442E+02 1.792159 1.689001 -1.151863 2.334879 0.996522 3.548290 9.974813 0.484206 1.273550 -0.710155 -0.015976 0.017176 -0.032039 0.039708 -0.004849 0.009373 -0.006265 0.005782 0.010869 -0.008076 -0.006912 0.014988 1.852653 1.992641 -0.228491 0.200873 1.672945 -0.368193 1.892373 0.000510 23 H 8.800593 6.470789 6.256092 0.104893 1.248303 0.87478006E+01 0.87713246E+02 1.913331 1.725645 -1.037158 2.385151 0.997462 3.558624 10.028636 0.478525 1.276542 -0.710228 -0.044281 0.018031 0.018278 0.051186 -0.005012 -0.002423 0.009116 0.027324 -0.033678 -0.018942 -0.001762 0.020703 2.061696 2.545477 -0.329083 -0.663500 1.641805 0.258211 1.997805 0.000662 24 H 8.618257 4.988132 4.383984 0.132968 1.103501 0.76930020E+01 0.72983088E+02 1.623514 1.517321 -0.771959 2.524623 0.999769 3.010046 7.648161 0.575294 1.122251 -0.750712 -0.034083 -0.014956 -0.014508 0.039948 0.004166 -0.000305 0.015306 0.021890 -0.003403 -0.022116 0.008684 0.013432 1.665633 2.192183 0.241240 0.197174 1.386040 0.118664 1.418678 0.000556 25 H 10.559995 4.415952 3.232926 0.121497 1.116241 0.79407756E+01 0.76033124E+02 1.634193 1.539088 -0.797545 2.502369 0.999500 3.129612 8.023221 0.571835 1.118653 -0.750326 -0.005678 -0.017049 -0.034948 0.039297 0.003247 0.003854 0.011613 0.010473 0.021218 -0.014981 -0.000051 0.015032 1.670205 1.485919 -0.057771 -0.034791 1.560566 0.447611 1.964130 0.000044 26 H -1.467811 6.224376 6.056820 0.102886 1.211798 0.90174838E+01 0.90971580E+02 1.861914 1.743351 -1.080101 2.362299 0.996723 3.580690 10.072902 0.480364 1.263908 -0.713051 0.041122 0.009341 0.017650 0.045715 0.001746 0.009084 0.005587 0.022356 -0.007236 -0.013306 -0.003992 0.017298 1.916439 2.505350 0.114136 0.182761 1.563246 0.168181 1.680722 0.000759 27 H 12.314346 3.071119 2.994324 0.126121 1.207155 0.91660710E+01 0.91989039E+02 1.786515 1.703794 -1.189518 2.316037 0.996022 3.458610 9.413536 0.513891 1.187633 -0.731005 -0.031284 -0.026776 -0.004228 0.041395 0.010673 -0.002159 0.002415 0.011480 -0.019252 -0.011084 -0.004260 0.015345 1.809035 2.061593 0.226428 -0.043848 1.844344 0.222716 1.521168 -0.000252 28 H 2.010431 3.587613 2.160528 0.133437 1.330837 0.10320450E+02 0.10720333E+03 1.951215 1.843563 -1.348486 2.250427 0.994164 3.572150 10.047237 0.477472 1.234948 -0.720446 0.035720 -0.014037 -0.021734 0.044106 -0.009828 -0.007615 0.002086 0.008771 -0.012480 -0.010256 -0.005468 0.015723 1.989053 2.245501 -0.172765 -0.312094 1.897141 0.343976 1.824517 0.000187 29 H 0.134570 6.248042 4.567524 0.117032 1.069088 0.77635480E+01 0.75937312E+02 1.743827 1.638791 -1.143643 2.330659 0.996664 3.628579 10.267360 0.482717 1.297234 -0.703824 0.002590 0.031092 0.015968 0.035049 -0.002241 -0.004237 0.008607 -0.014411 -0.002144 -0.009381 -0.004440 0.013821 1.809379 1.709905 0.090763 -0.019188 2.040324 0.449500 1.677908 0.000190 30 H -2.091746 10.289501 9.242550 0.107279 1.315265 0.93554734E+01 0.93696077E+02 1.867148 1.704157 -0.871065 2.467461 0.998781 3.271709 8.689461 0.525371 1.164085 -0.739968 0.052881 -0.003649 -0.002582 0.053069 0.001409 0.000893 0.008390 0.022995 -0.058915 -0.022950 0.001496 0.021454 1.962742 2.807216 -0.159316 -0.098162 1.538693 0.095259 1.542318 0.000652 31 H -2.900194 12.273338 10.149762 0.123337 1.129801 0.76995762E+01 0.72852047E+02 1.625953 1.496996 -0.759109 2.521798 0.999717 3.049065 7.664974 0.593097 1.091455 -0.758121 0.023438 0.028264 0.010607 0.038219 0.001415 -0.000808 0.012893 0.005140 -0.049993 -0.022590 0.010284 0.012307 1.707200 1.860899 0.492166 0.231750 1.843303 0.276448 1.417398 0.000599 32 H 9.046545 12.592144 10.385742 0.116496 1.158267 0.83491838E+01 0.80888079E+02 1.673149 1.577772 -0.798153 2.501179 0.999437 3.155056 8.115022 0.565444 1.118088 -0.751017 -0.010770 0.033637 0.018672 0.039951 -0.000955 -0.000429 0.012708 -0.001775 -0.033338 -0.017779 0.004542 0.013238 1.707046 1.633475 -0.219377 -0.146535 1.984995 0.365497 1.502667 0.000024 33 H 8.462834 8.957198 8.689308 0.101103 1.138233 0.82868727E+01 0.82450238E+02 1.820471 1.694718 -1.277957 2.266134 0.994808 3.746155 10.716879 0.473663 1.299678 -0.702968 -0.027514 -0.035710 -0.012381 0.046749 0.010121 0.003024 0.003653 0.004889 -0.012449 -0.008626 -0.005068 0.013694 1.889248 1.979478 0.287483 0.108447 2.230091 0.244643 1.458176 0.001128 34 H 6.698316 12.166141 11.125146 0.120203 1.237947 0.94144024E+01 0.95004345E+02 1.811967 1.722422 -1.130149 2.340590 0.996396 3.468724 9.431305 0.513615 1.181728 -0.732768 0.015621 0.019276 0.028796 0.038011 0.003897 0.008505 0.007818 0.009367 0.007758 -0.010713 -0.004105 0.014818 1.841946 1.874341 0.088593 0.138913 1.682065 0.406583 1.969433 0.000398 35 H 3.171037 11.110879 9.402492 0.140621 1.225317 0.92970135E+01 0.93864705E+02 1.822918 1.731593 -1.347262 2.254255 0.994719 3.459115 9.519212 0.501612 1.209427 -0.725906 -0.044688 0.000461 0.000560 0.044694 -0.002654 -0.001872 -0.002552 0.024231 -0.023309 -0.010948 -0.005445 0.016393 1.851678 2.350022 -0.057879 -0.000478 1.551835 0.193619 1.653177 0.000110 36 H 6.676575 9.864890 7.803072 0.123915 1.140172 0.84438369E+01 0.83979506E+02 1.796882 1.693194 -1.155259 2.332449 0.996481 3.558375 10.010313 0.483691 1.273224 -0.710188 0.015878 -0.017240 -0.031896 0.039582 -0.004826 -0.009294 0.006379 0.005964 0.010815 -0.008236 -0.006751 0.014987 1.857748 1.998492 -0.229281 -0.201454 1.677277 0.369638 1.897475 0.000499 37 H 1.697093 6.470789 6.853908 0.104472 1.250292 0.87649343E+01 0.87922875E+02 1.914729 1.726845 -1.038075 2.384282 0.997452 3.562115 10.038706 0.478590 1.275819 -0.710371 -0.044217 0.018065 -0.018148 0.051096 -0.004966 0.002402 -0.009137 0.027471 -0.033463 -0.018968 -0.001745 0.020712 2.063269 2.547550 -0.329359 0.664096 1.642950 -0.258463 1.999308 0.000674 38 H 1.514757 4.988132 8.726016 0.132908 1.103971 0.76969139E+01 0.73028506E+02 1.623859 1.517607 -0.772359 2.524381 0.999767 3.010763 7.650084 0.575303 1.122105 -0.750746 -0.034040 -0.014917 0.014662 0.039952 0.004166 0.000269 -0.015347 0.021836 -0.003314 -0.022133 0.008683 0.013450 1.665998 2.192720 0.241348 -0.197278 1.386324 -0.118722 1.418952 0.000551 39 H 3.456495 4.415952 9.877074 0.121894 1.113750 0.79186661E+01 0.75768936E+02 1.631878 1.537048 -0.796433 2.503253 0.999513 3.125682 8.010490 0.572154 1.118804 -0.750298 -0.005619 -0.017044 0.035065 0.039391 0.003257 -0.003843 -0.011611 0.010399 0.021382 -0.014962 -0.000097 0.015059 1.667764 1.483866 -0.057691 0.034742 1.558420 -0.446623 1.961007 0.000016 40 H 5.635689 6.224376 7.053180 0.102695 1.213726 0.90359246E+01 0.91205614E+02 1.863826 1.745070 -1.082629 2.360845 0.996696 3.584651 10.087215 0.480145 1.263818 -0.713052 0.041111 0.009379 -0.017465 0.045641 0.001743 -0.009088 -0.005585 0.022339 -0.007209 -0.013300 -0.003991 0.017292 1.918447 2.508091 0.114175 -0.182821 1.564809 -0.168489 1.682442 0.000767 41 H 5.210846 3.071119 10.115676 0.125728 1.209689 0.91913759E+01 0.92315993E+02 1.789670 1.706658 -1.189463 2.315756 0.996008 3.463786 9.434491 0.513175 1.188349 -0.730821 -0.031174 -0.026780 0.004463 0.041339 0.010600 0.002141 -0.002431 0.011614 -0.019171 -0.011065 -0.004234 0.015299 1.812293 2.065292 0.226927 0.044015 1.847861 -0.223509 1.523726 0.000226 42 H 9.113931 3.587613 10.949472 0.133157 1.330819 0.10320114E+02 0.10719790E+03 1.951082 1.843442 -1.346192 2.251321 0.994181 3.572770 10.048567 0.477528 1.234826 -0.720470 0.035640 -0.014099 0.021798 0.044093 -0.009726 0.007631 -0.002027 0.008890 -0.012981 -0.010226 -0.005484 0.015710 1.988927 2.245244 -0.172742 0.312025 1.897123 -0.344022 1.824414 0.000235 43 H 7.238070 6.248042 8.542476 0.116487 1.070996 0.77807499E+01 0.76145568E+02 1.745556 1.640313 -1.144038 2.329986 0.996654 3.633126 10.281991 0.482636 1.296771 -0.703906 0.002563 0.031127 -0.015821 0.035011 -0.002204 0.004269 -0.008643 -0.014242 -0.002375 -0.009381 -0.004419 0.013799 1.811277 1.711738 0.090889 0.019283 2.042574 -0.450147 1.679518 0.000193 44 H 5.011754 10.289501 3.867450 0.107312 1.316246 0.93638283E+01 0.93803763E+02 1.868402 1.705178 -0.871756 2.467221 0.998776 3.272319 8.693126 0.525076 1.164440 -0.739887 0.052870 -0.003657 0.002754 0.053068 0.001398 -0.000883 -0.008298 0.022977 -0.058907 -0.022884 0.001443 0.021441 1.964093 2.809493 -0.159517 0.098296 1.539545 -0.095363 1.543239 0.000654 45 H 4.203306 12.273338 2.960238 0.123147 1.129666 0.76983876E+01 0.72831221E+02 1.625029 1.496260 -0.759648 2.521322 0.999714 3.049562 7.663393 0.593667 1.090550 -0.758349 0.023407 0.028258 -0.010430 0.038147 0.001421 0.000829 -0.012857 0.005187 -0.050023 -0.022576 0.010292 0.012285 1.706142 1.859566 0.491598 -0.231491 1.842156 -0.276193 1.416704 0.000639 46 H 1.943045 12.592144 2.724258 0.116247 1.158959 0.83547380E+01 0.80951170E+02 1.673398 1.577949 -0.798083 2.500983 0.999434 3.156208 8.117082 0.565629 1.117595 -0.751139 -0.010710 0.033661 -0.018556 0.039901 -0.000944 0.000450 -0.012685 -0.001727 -0.033369 -0.017773 0.004570 0.013203 1.707349 1.633664 -0.219502 0.146607 1.985440 -0.365681 1.502943 0.000030 47 H 1.359334 8.957198 4.420692 0.101042 1.138849 0.82922957E+01 0.82517575E+02 1.821112 1.695262 -1.278273 2.265977 0.994797 3.746910 10.719860 0.473592 1.299661 -0.702972 -0.027428 -0.035729 0.012541 0.046756 0.010112 -0.003062 -0.003671 0.004908 -0.012478 -0.008614 -0.005098 0.013712 1.889910 1.980116 0.287777 -0.108516 2.230962 -0.244839 1.458651 0.001113 48 H -0.405184 12.166141 1.984854 0.120584 1.236177 0.93972518E+01 0.94783743E+02 1.810015 1.720688 -1.130840 2.340580 0.996400 3.464917 9.417194 0.513971 1.181503 -0.732836 0.015831 0.019285 -0.028788 0.038096 0.003919 -0.008549 -0.007844 0.009235 0.008002 -0.010697 -0.004181 0.014878 1.839931 1.872260 0.088531 -0.138788 1.680297 -0.405837 1.967236 0.000300 49 H 10.274537 11.110879 3.707508 0.141021 1.223785 0.92817794E+01 0.93666672E+02 1.821035 1.729897 -1.348565 2.253963 0.994720 3.455327 9.504617 0.502009 1.209039 -0.726009 -0.044751 0.000452 -0.000387 0.044755 -0.002764 0.001965 0.002604 0.024256 -0.023284 -0.011040 -0.005396 0.016435 1.849725 2.347440 -0.057722 0.000392 1.550288 -0.193193 1.651448 -0.000224 50 H -0.426925 9.864890 5.306928 0.124718 1.135611 0.84011896E+01 0.83448321E+02 1.792297 1.689122 -1.152018 2.334783 0.996520 3.548598 9.975895 0.484191 1.273539 -0.710156 0.015965 -0.017173 0.032040 0.039703 -0.004850 0.009369 -0.006262 0.005794 0.010859 -0.008076 -0.006908 0.014984 1.852802 1.992811 -0.228512 0.200889 1.673069 -0.368238 1.892527 0.000508 51 H 1.128863 7.450874 19.963908 0.104908 1.248220 0.87470977E+01 0.87704449E+02 1.913251 1.725580 -1.037103 2.385187 0.997463 3.558483 10.028144 0.478532 1.276549 -0.710227 0.044287 -0.018029 -0.018278 0.051190 -0.005015 -0.002423 0.009115 0.027321 -0.033690 -0.018942 -0.001762 0.020705 2.061606 2.545359 -0.329061 -0.663455 1.641742 0.258192 1.997717 0.000658 52 H 1.311199 8.933531 21.836016 0.132982 1.103443 0.76924950E+01 0.72977187E+02 1.623476 1.517286 -0.771923 2.524656 0.999769 3.009923 7.647829 0.575291 1.122273 -0.750707 0.034086 0.014960 0.014510 0.039952 0.004167 -0.000304 0.015306 0.021888 -0.003401 -0.022115 0.008682 0.013433 1.665595 2.192132 0.241234 0.197170 1.386008 0.118659 1.418645 0.000559 53 H -0.630539 9.505711 22.987074 0.121513 1.116157 0.79400322E+01 0.76024213E+02 1.634112 1.539018 -0.797514 2.502397 0.999500 3.129474 8.022768 0.571847 1.118655 -0.750326 0.005677 0.017049 0.034951 0.039299 0.003247 0.003854 0.011612 0.010472 0.021225 -0.014979 -0.000053 0.015033 1.670120 1.485849 -0.057766 -0.034787 1.560488 0.447574 1.964023 0.000025 54 H 11.397267 7.697287 20.163180 0.102900 1.211684 0.90164135E+01 0.90957952E+02 1.861792 1.743245 -1.080008 2.362353 0.996725 3.580475 10.072093 0.480380 1.263905 -0.713052 -0.041127 -0.009334 -0.017653 0.045718 0.001747 0.009086 0.005589 0.022353 -0.007228 -0.013306 -0.003991 0.017298 1.916311 2.505162 0.114125 0.182741 1.563151 0.168162 1.680619 0.000759 55 H -2.384890 10.850544 23.225676 0.126106 1.207236 0.91668868E+01 0.91999576E+02 1.786619 1.703889 -1.189495 2.316039 0.996022 3.458769 9.414190 0.513867 1.187659 -0.730999 0.031280 0.026776 0.004238 0.041393 0.010671 -0.002159 0.002425 0.011479 -0.019244 -0.011091 -0.004250 0.015342 1.809142 2.061723 0.226447 -0.043854 1.844452 0.222737 1.521252 0.000214 56 H 7.919025 10.334050 24.059472 0.133447 1.330837 0.10320478E+02 0.10720382E+03 1.951219 1.843568 -1.348547 2.250396 0.994163 3.572186 10.047388 0.477470 1.234951 -0.720444 -0.035717 0.014030 0.021734 0.044101 -0.009827 -0.007617 0.002079 0.008782 -0.012480 -0.010261 -0.005463 0.015723 1.989058 2.245495 -0.172761 -0.312089 1.897152 0.343982 1.824526 -0.000257 57 H 9.794886 7.673621 21.652476 0.117012 1.069199 0.77645289E+01 0.75949059E+02 1.743915 1.638868 -1.143748 2.330586 0.996663 3.628790 10.267994 0.482719 1.297192 -0.703832 -0.002597 -0.031087 -0.015966 0.035043 -0.002244 -0.004238 0.008608 -0.014403 -0.002141 -0.009379 -0.004441 0.013820 1.809474 1.709997 0.090776 -0.019185 2.040434 0.449534 1.677991 0.000195 58 H 12.021202 3.632162 16.977450 0.107288 1.315105 0.93540753E+01 0.93678182E+02 1.866967 1.704006 -0.870968 2.467514 0.998782 3.271501 8.688609 0.525407 1.164053 -0.739976 -0.052884 0.003650 0.002574 0.053072 0.001407 0.000892 0.008392 0.022994 -0.058919 -0.022952 0.001498 0.021454 1.962543 2.806886 -0.159289 -0.098147 1.538560 0.095243 1.542184 0.000650 59 H 12.829650 1.648325 16.070238 0.123355 1.129680 0.76985396E+01 0.72839594E+02 1.625822 1.496884 -0.759052 2.521840 0.999717 3.048873 7.664286 0.593127 1.091438 -0.758126 -0.023439 -0.028267 -0.010612 0.038224 0.001416 -0.000806 0.012893 0.005135 -0.049990 -0.022589 0.010281 0.012308 1.707057 1.860735 0.492107 0.231721 1.843145 0.276412 1.417291 0.000596 60 H 0.882911 1.329519 15.834258 0.116511 1.158162 0.83482109E+01 0.80876168E+02 1.673041 1.577676 -0.798092 2.501222 0.999437 3.154874 8.114387 0.565465 1.118081 -0.751019 0.010771 -0.033638 -0.018676 0.039954 -0.000955 -0.000428 0.012707 -0.001778 -0.033332 -0.017777 0.004539 0.013238 1.706933 1.633363 -0.219355 -0.146520 1.984860 0.365463 1.502576 0.000025 61 H 1.466622 4.964465 17.530692 0.101119 1.138151 0.82861333E+01 0.82440992E+02 1.820385 1.694644 -1.277910 2.266168 0.994809 3.745976 10.716223 0.473673 1.299679 -0.702969 0.027520 0.035712 0.012377 0.046753 0.010122 0.003024 0.003653 0.004892 -0.012439 -0.008629 -0.005065 0.013694 1.889155 1.979379 0.287464 0.108442 2.229971 0.244624 1.458116 0.001126 62 H 3.231140 1.755522 15.094854 0.120207 1.237912 0.94140426E+01 0.94999687E+02 1.811925 1.722383 -1.130117 2.340607 0.996396 3.468651 9.431017 0.513624 1.181721 -0.732770 -0.015621 -0.019276 -0.028799 0.038012 0.003897 0.008506 0.007818 0.009368 0.007757 -0.010713 -0.004106 0.014819 1.841903 1.874292 0.088594 0.138913 1.682030 0.406571 1.969388 0.000399 63 H 6.758419 2.810784 16.817508 0.140622 1.225341 0.92972484E+01 0.93867734E+02 1.822946 1.731618 -1.347289 2.254241 0.994719 3.459151 9.519366 0.501606 1.209431 -0.725905 0.044687 -0.000461 -0.000561 0.044693 -0.002654 -0.001873 -0.002554 0.024228 -0.023309 -0.010950 -0.005442 0.016392 1.851706 2.350060 -0.057882 -0.000480 1.551857 0.193625 1.653201 0.000110 64 H 3.252881 4.056773 18.416928 0.123907 1.140216 0.84442286E+01 0.83984153E+02 1.796905 1.693215 -1.155298 2.332420 0.996481 3.558439 10.010451 0.483697 1.273196 -0.710194 -0.015875 0.017243 0.031895 0.039580 -0.004828 -0.009295 0.006378 0.005964 0.010812 -0.008236 -0.006752 0.014988 1.857772 1.998516 -0.229283 -0.201456 1.677300 0.369646 1.897501 0.000500 65 C 7.453739 7.779425 18.933462 0.082768 26.963924 0.35385461E+03 0.79196871E+04 7.932794 6.356365 0.162984 2.063993 0.999726 26.413495 74.640295 0.639144 0.428178 -1.054424 -0.045188 -0.012356 -0.002704 0.046924 -0.011523 0.013192 0.038154 0.007131 -0.037953 -0.049068 0.015074 0.033994 8.942481 11.032290 -0.556166 2.111817 6.660169 -3.169947 9.134984 -0.000089 66 C 7.565735 8.635608 17.798136 -0.118949 30.591188 0.39716547E+03 0.90660678E+04 8.324011 6.529670 0.370871 2.098690 0.999783 28.026690 77.629340 0.666525 0.402571 -1.080645 -0.022463 -0.005515 -0.007025 0.024173 0.007871 -0.010939 -0.016635 0.032513 -0.001966 -0.026610 -0.000547 0.027157 9.390088 12.333046 -0.554878 1.868666 6.787706 -3.248923 9.049514 0.004712 67 C 6.414260 9.017061 17.155746 -0.086643 31.039023 0.39541713E+03 0.90586415E+04 8.561752 6.631684 0.147831 2.031405 0.999752 28.123425 79.243400 0.641025 0.417084 -1.066102 0.007010 -0.017423 0.009319 0.020966 0.001302 -0.009305 -0.001974 -0.048195 0.029384 -0.031125 0.011293 0.019832 9.789943 14.151483 -1.271625 2.231271 6.369739 -2.898532 8.848608 -0.002569 68 C 5.167378 8.701039 17.669658 0.048505 37.496477 0.40020724E+03 0.91506213E+04 9.751730 6.659804 -0.016277 2.007513 0.999269 26.216559 72.615427 0.644572 0.415594 -1.072350 0.002494 0.008740 -0.018300 0.020433 0.003822 0.006671 -0.000472 -0.015221 -0.044090 -0.017413 0.001507 0.015906 12.742134 18.141683 -3.556591 5.109979 8.638560 -4.934016 11.446160 0.003660 69 C 5.138271 7.917250 18.789252 0.019269 30.445324 0.35446461E+03 0.79526600E+04 8.596188 6.349144 0.171566 2.057597 0.999756 27.122886 77.241607 0.640144 0.426470 -1.053367 0.050018 -0.027244 0.015593 0.059053 0.011481 -0.009058 0.061808 0.002709 -0.082626 -0.074729 0.016954 0.057775 10.535194 13.113972 -2.769294 3.767180 8.114774 -4.491640 10.376837 -0.000219 70 C 3.899941 9.113121 17.016780 0.060641 42.010006 0.42609243E+03 0.98862609E+04 10.451366 6.843497 -0.040295 1.989348 0.999164 26.729995 74.334294 0.640463 0.412177 -1.075660 -0.004688 -0.008180 -0.001529 0.009551 -0.009260 0.014273 -0.022002 0.020967 -0.005043 -0.028148 -0.002996 0.031144 14.032415 19.685261 -2.168362 5.449603 11.906036 -5.398240 10.505948 0.001176 71 C 3.925010 10.335443 16.188228 -0.164084 39.020342 0.48670231E+03 0.11771334E+05 10.088601 7.409904 -0.022848 1.950470 0.999487 30.675360 89.482289 0.598619 0.423051 -1.059872 -0.021599 0.004250 -0.004233 0.022416 0.023808 -0.018831 0.021274 0.001964 -0.019132 -0.042785 0.015690 0.027095 12.583033 12.004047 -2.479657 3.849679 14.302307 -7.201416 11.442744 0.000656 72 C 2.764309 10.709935 15.535350 0.003787 38.561690 0.40209541E+03 0.91918514E+04 9.874119 6.599718 0.021138 2.017615 0.999230 26.469957 72.977926 0.659598 0.406212 -1.079987 0.010590 -0.030972 0.022510 0.039725 0.006737 0.005082 0.013753 -0.005439 0.007227 -0.012099 -0.006691 0.018790 13.545710 10.938807 0.567181 1.262260 17.396041 -9.117411 12.302282 0.013285 73 C 1.608325 10.033343 15.697914 -0.115411 36.845081 0.44526778E+03 0.10570803E+05 9.796008 7.138622 -0.119769 1.934009 0.999423 29.798976 87.154181 0.601147 0.429179 -1.052222 0.011487 -0.019467 -0.002437 0.022734 -0.032006 0.010739 0.039207 -0.017625 0.070656 -0.058908 0.005623 0.053285 12.199182 11.115454 3.275365 -0.849291 15.599974 -6.893492 9.882118 0.002125 74 C 1.582660 8.836080 16.531710 0.018797 40.478269 0.42578543E+03 0.98833369E+04 10.233576 6.845695 -0.004453 2.007319 0.999159 26.791370 74.668259 0.639319 0.412739 -1.074643 0.040700 -0.003629 -0.023107 0.046942 0.000659 0.006521 0.006263 -0.061440 0.036225 -0.037614 0.010195 0.027419 13.532413 16.612875 4.959068 -0.662403 14.674086 -5.807120 9.310278 0.006070 75 C 2.714673 8.453234 17.134770 -0.162152 36.460637 0.43833591E+03 0.10383069E+05 9.657451 7.072019 -0.078124 1.940528 0.999628 30.268367 88.919007 0.604333 0.427869 -1.051244 -0.006497 0.001653 -0.024224 0.025134 -0.005823 -0.011401 0.015600 -0.083283 0.088142 -0.057994 0.012682 0.045312 11.490890 17.488974 1.757712 1.930903 9.529295 -2.917891 7.454400 -0.000311 76 C 0.272860 8.119114 16.728360 0.541195 27.364362 0.28965610E+03 0.62191362E+04 8.384358 6.032372 -0.111288 2.001782 0.999431 23.632747 67.255686 0.605528 0.471113 -1.020799 -0.028731 -0.053149 0.011580 0.061517 -0.049611 -0.043532 0.064924 -0.074121 0.093157 -0.079007 -0.037870 0.116876 10.313886 12.011125 4.096324 -0.366226 10.501764 -3.772488 8.428769 0.001971 77 C 2.757282 11.921120 14.628138 0.597744 23.491648 0.25503225E+03 0.52937673E+04 7.684262 5.678250 0.003049 2.065227 0.999564 22.012313 61.199282 0.622402 0.474095 -1.021200 -0.001468 0.042433 -0.033598 0.054144 -0.040623 -0.054160 0.087295 0.040029 0.045080 -0.096129 -0.028378 0.124506 9.967683 6.518863 0.569213 0.951181 13.437906 -6.324988 9.946281 0.001468 78 C 5.851409 3.483200 22.431210 0.076455 26.536903 0.32724427E+03 0.71654435E+04 7.741019 6.048314 0.305836 2.112290 0.999830 25.856385 71.715748 0.667279 0.419206 -1.062523 0.041057 0.025148 -0.014712 0.050344 0.013174 -0.005034 0.027946 0.062598 0.036774 -0.052529 0.024606 0.027922 8.729814 11.128203 0.202160 0.152443 9.183950 -2.825435 5.877291 -0.000088 79 C 6.331192 2.319349 22.966098 -0.116637 30.415637 0.38282688E+03 0.86779795E+04 8.324579 6.440838 0.268354 2.066868 0.999780 27.989713 77.817262 0.664931 0.406363 -1.075732 0.025013 -0.000189 -0.002673 0.025157 0.013961 -0.004250 -0.015727 -0.003994 -0.045981 -0.023132 -0.003900 0.027032 9.482094 12.711959 0.189974 0.119461 9.796412 -2.826003 5.937911 0.003760 80 C 7.671128 2.124446 23.081466 -0.094994 31.914183 0.40861764E+03 0.94296728E+04 8.687033 6.722859 0.208275 2.045039 0.999796 28.452672 80.226631 0.639889 0.414784 -1.068544 -0.018144 0.012757 -0.005789 0.022923 -0.012057 0.006872 -0.010638 -0.034264 0.008431 -0.022858 -0.003176 0.026034 9.930686 15.151098 0.634107 -0.019113 8.851973 -2.316762 5.788988 -0.002586 81 C 8.626056 3.080864 22.593774 0.039236 40.961847 0.41822029E+03 0.96468578E+04 10.265474 6.783093 0.070995 2.033168 0.999348 26.365105 72.817953 0.643641 0.412555 -1.076709 0.009527 -0.014098 -0.004429 0.017582 -0.002388 0.002684 -0.011487 0.010853 0.040550 -0.016678 -0.001795 0.018473 13.679061 24.415761 -2.193907 1.112376 10.138485 -2.563430 6.482936 0.005510 82 C 8.008878 4.257245 22.092972 0.054959 29.556882 0.34754239E+03 0.77682229E+04 8.487364 6.340912 -0.000183 2.013575 0.999305 26.686692 76.152054 0.631634 0.433837 -1.047622 -0.048520 0.003628 0.004925 0.048904 0.033257 -0.021150 0.052653 -0.020689 0.154884 -0.079817 -0.000757 0.080574 10.269229 14.655718 -2.545651 1.904945 10.438676 -2.605002 5.713295 -0.000012 83 C 10.048744 2.954177 22.606884 0.075408 41.721080 0.40183904E+03 0.91994115E+04 10.400888 6.655484 -0.057260 1.990431 0.999184 26.262741 72.843801 0.647232 0.413370 -1.073541 -0.000095 -0.001722 0.001481 0.002274 0.002924 -0.002770 -0.012116 0.014903 -0.045563 -0.021888 0.005267 0.016621 14.166143 24.209900 -3.193139 1.959302 8.406987 -3.780701 9.881542 0.000839 84 C 10.798836 2.219113 23.545560 -0.151125 38.124771 0.43808595E+03 0.10348568E+05 9.925048 7.037792 -0.051250 1.949667 0.999538 30.030075 87.348000 0.611562 0.423979 -1.056406 0.021651 0.006594 -0.009289 0.024465 0.021745 -0.020930 0.007261 -0.056928 0.052901 -0.051714 0.024699 0.027014 12.562719 17.899719 -4.291343 4.329302 8.951667 -4.676908 10.836770 0.000871 85 C 12.138359 2.141152 23.514096 -0.007682 40.219899 0.42613359E+03 0.98661749E+04 10.110875 6.777287 0.058220 2.022329 0.999196 26.891996 74.181290 0.654494 0.404201 -1.083259 -0.034499 0.018314 -0.021921 0.044790 0.009941 -0.006074 -0.009825 -0.016529 0.027808 -0.017643 -0.002647 0.020290 13.739103 15.824097 -4.244003 4.418019 11.085963 -7.317462 14.307249 -0.001227 86 C 12.912021 2.827490 22.525602 -0.130097 36.441419 0.47473989E+03 0.11424222E+05 9.659927 7.348326 -0.098594 1.931676 0.999375 30.276441 88.435037 0.596737 0.426533 -1.056460 -0.006489 0.004158 0.000337 0.007714 -0.000806 0.002350 0.044537 -0.005151 -0.047576 -0.049227 0.005442 0.043785 11.474392 10.895538 -0.957792 0.691354 10.015328 -6.574582 13.512310 -0.000248 87 C 12.141214 3.537495 21.563328 0.004346 39.096992 0.43248866E+03 0.10073944E+05 9.960507 6.886106 0.008498 2.005891 0.999229 27.095397 75.542563 0.639554 0.411153 -1.076133 -0.030415 -0.019987 0.022019 0.042537 -0.005952 0.016620 -0.001027 -0.017223 0.037341 -0.023643 0.002667 0.020976 12.750476 15.205737 1.162879 -2.464986 9.779161 -6.274115 13.266531 0.006990 88 C 10.811957 3.582044 21.597414 -0.151351 36.383946 0.44237785E+03 0.10494903E+05 9.661850 7.113107 -0.084300 1.942016 0.999483 30.085371 88.229846 0.601956 0.428900 -1.051411 0.013604 -0.012082 0.001685 0.018272 -0.010383 0.026721 0.018359 -0.077728 0.053479 -0.060171 0.016223 0.043948 11.554422 17.632030 0.787856 -2.431185 7.383129 -3.383616 9.648107 0.000471 89 C 12.981164 1.330911 24.515700 0.601228 23.046188 0.25401480E+03 0.52694812E+04 7.577336 5.672812 -0.002098 2.061550 0.999505 22.080449 61.450242 0.621482 0.475082 -1.020263 0.032534 -0.030850 0.034810 0.056763 0.024079 -0.024814 0.095279 -0.101710 0.005333 -0.097989 -0.026245 0.124234 9.598335 10.097793 -2.948994 3.442817 8.352334 -4.773319 10.344878 -0.000229 90 C -1.208426 4.335206 20.501418 0.550999 24.336248 0.28866223E+03 0.61776960E+04 7.773643 6.025733 -0.098446 2.010954 0.999076 23.276591 65.620465 0.606748 0.471695 -1.022925 0.015466 0.033667 -0.049929 0.062174 -0.022575 0.011499 0.076427 -0.103638 0.014599 -0.076484 -0.031030 0.107514 9.285989 10.106654 1.819291 -2.761625 7.669606 -4.198149 10.081708 -0.000604 91 C 9.579217 6.142238 5.823462 0.084052 26.922348 0.35320991E+03 0.79015313E+04 7.925497 6.351136 0.163873 2.064838 0.999724 26.382515 74.531371 0.639332 0.428254 -1.054394 0.045031 0.011804 -0.002180 0.046604 -0.011358 -0.013100 -0.038502 0.006129 -0.038213 -0.049169 0.014544 0.034626 8.933725 11.020574 -0.555445 -2.109280 6.653918 3.166534 9.126684 -0.000161 92 C 9.467221 5.286055 4.688136 -0.118779 30.581431 0.39702244E+03 0.90620066E+04 8.322856 6.528976 0.371683 2.099114 0.999783 28.019180 77.605681 0.666485 0.402630 -1.080603 0.022391 0.004944 -0.006469 0.023825 0.007855 0.010640 0.016391 0.032545 -0.002149 -0.026403 -0.000434 0.026836 9.388731 12.330634 -0.555041 -1.869142 6.786449 3.248318 9.049111 0.004686 93 C 10.618696 4.904602 4.045746 -0.087168 31.060451 0.39574107E+03 0.90679789E+04 8.564880 6.633790 0.147853 2.031094 0.999753 28.140448 79.301455 0.641007 0.417007 -1.066144 -0.007082 0.017091 0.009730 0.020903 0.001435 0.009376 0.002222 -0.047948 0.029715 -0.031088 0.011257 0.019832 9.793520 14.155465 -1.270859 -2.231100 6.371794 2.900049 8.853301 -0.002553 94 C 11.865578 5.220624 4.559658 0.047761 37.488623 0.40021385E+03 0.91503360E+04 9.748386 6.658638 -0.014478 2.008056 0.999270 26.217268 72.603366 0.644839 0.415442 -1.072504 -0.002456 -0.009111 -0.017990 0.020315 0.003652 -0.006863 0.000613 -0.014470 -0.044240 -0.017542 0.002028 0.015514 12.735365 18.133912 -3.550989 -5.103712 8.632481 4.929243 11.439701 0.003621 95 C 11.894685 6.004413 5.679252 0.019762 30.415461 0.35411980E+03 0.79425566E+04 8.589427 6.345347 0.173915 2.058541 0.999758 27.105845 77.167792 0.640478 0.426375 -1.053484 -0.050094 0.026701 0.016155 0.059019 0.011506 0.009231 -0.061830 0.002267 -0.082083 -0.074645 0.016722 0.057923 10.524941 13.101056 -2.764231 -3.760932 8.106451 4.486049 10.367314 -0.000286 96 C -1.073985 4.808542 3.906780 0.062148 41.941564 0.42541789E+03 0.98665754E+04 10.441263 6.838971 -0.060917 1.983069 0.999131 26.703829 74.243259 0.640558 0.412285 -1.075604 0.004579 0.007661 -0.001033 0.008984 -0.009056 -0.013836 0.021740 0.020230 -0.004425 -0.027636 -0.002832 0.030468 14.015279 19.667174 -2.161500 -5.440697 11.887468 5.386734 10.491194 0.001092 97 C -1.099054 3.586220 3.078228 -0.165213 39.006420 0.48669507E+03 0.11769979E+05 10.082727 7.407802 -0.020718 1.951084 0.999490 30.674355 89.446679 0.599010 0.422818 -1.060121 0.021432 -0.003906 -0.003272 0.022029 0.024177 0.018507 -0.021840 0.002910 -0.019224 -0.043230 0.015675 0.027555 12.571425 11.999156 -2.476412 -3.846690 14.283522 7.189544 11.431596 0.000879 98 C 0.061647 3.211728 2.425350 0.006378 38.506679 0.40168284E+03 0.91793731E+04 9.861667 6.594566 0.028103 2.019697 0.999254 26.456357 72.910408 0.660170 0.405995 -1.080213 -0.010518 0.029350 0.021868 0.038082 0.006691 -0.004939 -0.011503 -0.007572 0.006755 -0.009740 -0.007315 0.017055 13.521355 10.928484 0.568041 -1.260006 17.357090 9.093260 12.278490 0.000122 99 C 1.217631 3.888320 2.587914 -0.116422 36.843011 0.44536688E+03 0.10573289E+05 9.793724 7.138279 -0.118448 1.934380 0.999425 29.802797 87.153660 0.601331 0.429043 -1.052351 -0.011018 0.019802 -0.001559 0.022714 -0.032140 -0.010874 -0.039726 -0.016893 0.071402 -0.059424 0.005688 0.053736 12.193493 11.115140 3.274418 0.848602 15.588429 6.886621 9.876909 0.000508 100 C 1.243296 5.085583 3.421710 0.020305 40.424021 0.42520558E+03 0.98666219E+04 10.226452 6.842422 -0.005155 2.007472 0.999157 26.767714 74.592659 0.639270 0.412907 -1.074522 -0.040430 0.003278 -0.022824 0.046543 0.000283 -0.006434 -0.006464 -0.062154 0.038031 -0.038233 0.010559 0.027674 13.520548 16.601657 4.953543 0.660694 14.657359 5.799480 9.302629 0.004390 101 C 0.111283 5.468429 4.024770 -0.161420 36.403864 0.43757800E+03 0.10360192E+05 9.647727 7.066050 -0.077163 1.941396 0.999626 30.231981 88.778668 0.604595 0.427887 -1.051278 0.006712 -0.001791 -0.023317 0.024330 -0.005955 0.011560 -0.016350 -0.083088 0.089345 -0.058132 0.011948 0.046184 11.478217 17.472085 1.756266 -1.928428 9.516272 2.912620 7.446292 0.000066 102 C 2.553096 5.802549 3.618360 0.541274 27.350438 0.28949809E+03 0.62149910E+04 8.381790 6.030857 -0.110697 2.002134 0.999425 23.628387 67.242574 0.605575 0.471133 -1.020773 0.028942 0.052830 0.011980 0.061417 -0.049162 0.043637 -0.065282 -0.073700 0.092345 -0.078427 -0.038493 0.116920 10.310099 12.005576 4.093215 0.365480 10.496758 3.771344 8.427964 0.001673 103 C 0.068674 2.000543 1.518138 0.597309 23.519458 0.25541020E+03 0.53028858E+04 7.688320 5.681599 0.005373 2.065653 0.999580 22.014047 61.185448 0.622441 0.473952 -1.021410 0.001520 -0.042613 -0.033554 0.054259 -0.040790 0.054392 -0.086900 0.039149 0.045884 -0.095454 -0.029078 0.124532 9.971017 6.523154 0.571222 -0.951709 13.440582 6.325413 9.949315 -0.000348 104 C -3.025453 10.438463 9.321210 0.075343 26.566332 0.32769398E+03 0.71776821E+04 7.746081 6.052118 0.306167 2.112029 0.999830 25.876051 71.779895 0.667133 0.419158 -1.062564 -0.041181 -0.025376 -0.013894 0.050327 0.013257 0.005176 -0.027427 0.063285 0.035575 -0.052365 0.023966 0.028399 8.736001 11.137008 0.203232 -0.152027 9.190518 2.827315 5.880479 0.000002 105 C -3.505236 11.602314 9.856098 -0.116550 30.416463 0.38280536E+03 0.86774051E+04 8.324524 6.440259 0.267995 2.066719 0.999780 27.990457 77.819976 0.665019 0.406312 -1.075761 -0.024937 -0.000189 -0.001824 0.025004 0.013932 0.004444 0.015976 -0.003983 -0.046170 -0.023345 -0.003883 0.027228 9.482806 12.715681 0.191868 -0.118456 9.795875 2.825343 5.936861 0.003788 106 C 9.361828 11.797217 9.971466 -0.095165 31.924875 0.40873711E+03 0.94333191E+04 8.689932 6.724425 0.206706 2.044589 0.999794 28.455156 80.242973 0.639717 0.414856 -1.068475 0.018007 -0.013001 -0.004973 0.022760 -0.012085 -0.006804 0.010668 -0.033945 0.008220 -0.022683 -0.003286 0.025969 9.935159 15.162372 0.635663 0.019727 8.853427 2.316542 5.789678 -0.002585 107 C 8.406900 10.840799 9.483774 0.039988 40.980742 0.41828264E+03 0.96491758E+04 10.270602 6.784726 0.068722 2.032402 0.999346 26.367187 72.839850 0.643368 0.412692 -1.076562 -0.009511 0.013785 -0.003842 0.017183 -0.002341 -0.002629 0.011531 0.010244 0.041386 -0.016528 -0.002197 0.018725 13.689445 24.440614 -2.196117 -1.113387 10.142306 2.563994 6.485414 0.005557 108 C 9.024078 9.664418 8.982972 0.054383 29.573978 0.34773759E+03 0.77737327E+04 8.490992 6.342889 0.000769 2.013789 0.999307 26.694406 76.181468 0.631501 0.433864 -1.047598 0.048365 -0.003789 0.005506 0.048824 0.033401 0.021123 -0.052639 -0.020064 0.154687 -0.079893 -0.000552 0.080445 10.275402 14.668279 -2.549207 -1.906514 10.442930 2.605670 5.714998 0.000056 109 C 6.984212 10.967486 9.496884 0.074084 41.796917 0.40248324E+03 0.92181867E+04 10.413184 6.660427 -0.057585 1.989972 0.999188 26.289058 72.941432 0.647025 0.413321 -1.073534 -0.000142 0.001291 0.001608 0.002067 0.002955 0.003053 0.012181 0.016006 -0.046893 -0.022373 0.004997 0.017376 14.188020 24.250109 -3.201642 -1.966219 8.419181 3.787855 9.894770 0.001005 110 C 6.234120 11.702550 10.435560 -0.149983 38.120756 0.43785090E+03 0.10342469E+05 9.926658 7.036986 -0.052810 1.949277 0.999535 30.026085 87.357293 0.611406 0.424110 -1.056239 -0.022332 -0.006522 -0.008669 0.024828 0.021171 0.020301 -0.006808 -0.056952 0.052627 -0.050949 0.024234 0.026715 12.568373 17.905744 -4.296409 -4.334784 8.956845 4.682003 10.842528 0.000392 111 C 4.894597 11.780511 10.404096 -0.010965 40.375159 0.42759364E+03 0.99106180E+04 10.144319 6.793956 0.045496 2.018105 0.999167 26.937890 74.400998 0.652816 0.404805 -1.082618 0.035277 -0.019606 -0.023186 0.046545 0.011232 0.007549 0.007863 -0.016937 0.025686 -0.018795 -0.000932 0.019728 13.795549 15.882703 -4.271188 -4.448404 11.134207 7.356821 14.369736 0.015397 112 C 4.120935 11.094173 9.415602 -0.129486 36.461573 0.47485200E+03 0.11428685E+05 9.666349 7.350826 -0.101468 1.930761 0.999371 30.283114 88.488945 0.596380 0.426722 -1.056242 0.006452 -0.004063 0.001380 0.007749 -0.000988 -0.002751 -0.044027 -0.005543 -0.047131 -0.048642 0.005211 0.043431 11.485501 10.903353 -0.962364 -0.696723 10.026574 6.584791 13.526575 0.002081 113 C 4.891742 10.384168 8.453328 0.002955 39.169917 0.43324062E+03 0.10096095E+05 9.971879 6.891139 0.008823 2.005559 0.999233 27.125342 75.649567 0.639437 0.411040 -1.076181 0.030624 0.019592 0.022455 0.042731 -0.005665 -0.016200 0.001638 -0.016826 0.037198 -0.022990 0.002173 0.020817 12.768941 15.222593 1.163273 2.466532 9.795399 6.288261 13.288832 0.009065 114 C 6.220999 10.339619 8.487414 -0.152837 36.491528 0.44378910E+03 0.10537912E+05 9.681802 7.125077 -0.087738 1.940079 0.999484 30.149130 88.488139 0.601304 0.428977 -1.051250 -0.013943 0.011829 0.002398 0.018441 -0.010668 -0.026832 -0.017199 -0.077058 0.053668 -0.059938 0.017334 0.042604 11.581042 17.672467 0.788057 2.434792 7.400280 3.394157 9.670379 -0.000510 115 C 4.051792 12.590752 11.405700 0.601832 23.012734 0.25352860E+03 0.52575629E+04 7.571794 5.667885 -0.003511 2.061480 0.999485 22.075749 61.452655 0.621587 0.475167 -1.020084 -0.032637 0.030702 0.034832 0.056754 0.024585 0.025459 -0.095431 -0.101439 0.004783 -0.098871 -0.025413 0.124284 9.593843 10.091745 -2.950033 -3.443816 8.349477 4.772137 10.340306 0.001306 116 C 4.034382 9.586457 7.391418 0.551382 24.338281 0.28863975E+03 0.61773614E+04 7.775306 6.026188 -0.100055 2.010385 0.999082 23.278200 65.635041 0.606595 0.471803 -1.022823 -0.015566 -0.034268 -0.049671 0.062320 -0.022932 -0.012007 -0.076606 -0.103406 0.014483 -0.077144 -0.030462 0.107607 9.289482 10.108014 1.821234 2.763992 7.673538 4.201853 10.086893 0.000124 117 C 2.475717 6.142238 7.286538 0.082764 26.963730 0.35385320E+03 0.79196370E+04 7.932739 6.356343 0.163025 2.064009 0.999726 26.413299 74.639330 0.639148 0.428176 -1.054426 0.045184 0.012361 0.002719 0.046923 -0.011526 0.013190 0.038155 0.007145 -0.037981 -0.049075 0.015084 0.033991 8.942405 11.032260 -0.556162 2.111798 6.660125 -3.169875 9.134829 -0.000086 118 C 2.363721 5.286055 8.421864 -0.118932 30.590010 0.39714911E+03 0.90655826E+04 8.323767 6.529517 0.370934 2.098719 0.999783 28.025999 77.626436 0.666537 0.402569 -1.080649 0.022459 0.005519 0.007024 0.024170 0.007867 -0.010938 -0.016635 0.032502 -0.001979 -0.026605 -0.000546 0.027151 9.389793 12.332646 -0.554887 1.868637 6.787524 -3.248794 9.049209 0.004707 119 C 3.515196 4.904602 9.064254 -0.086635 31.038285 0.39540735E+03 0.90583497E+04 8.561588 6.631584 0.147859 2.031419 0.999752 28.123024 79.241633 0.641033 0.417082 -1.066105 -0.007011 0.017419 -0.009317 0.020961 0.001302 -0.009304 -0.001968 -0.048203 0.029364 -0.031126 0.011290 0.019835 9.789734 14.151163 -1.271579 2.231193 6.369628 -2.898454 8.848410 -0.002566 120 C 4.762078 5.220624 8.550342 0.048515 37.495862 0.40020213E+03 0.91504708E+04 9.751618 6.659764 -0.016273 2.007517 0.999269 26.216341 72.614570 0.644574 0.415594 -1.072350 -0.002492 -0.008740 0.018299 0.020431 0.003824 0.006667 -0.000471 -0.015229 -0.044092 -0.017411 0.001500 0.015911 12.741925 18.141415 -3.556502 5.109844 8.638433 -4.933892 11.445928 0.003656 121 C 4.791185 6.004413 7.430748 0.019272 30.444796 0.35445934E+03 0.79524992E+04 8.596070 6.349091 0.171596 2.057611 0.999756 27.122517 77.239935 0.640149 0.426469 -1.053369 -0.050018 0.027245 -0.015588 0.059052 0.011478 -0.009061 0.061809 0.002715 -0.082632 -0.074732 0.016959 0.057773 10.535006 13.113745 -2.769238 3.767086 8.114656 -4.491526 10.376616 -0.000219 122 C 6.029515 4.808542 9.203220 0.060637 42.009712 0.42609123E+03 0.98862190E+04 10.451291 6.843473 -0.040265 1.989358 0.999164 26.729952 74.333952 0.640467 0.412175 -1.075662 0.004689 0.008177 0.001526 0.009549 -0.009261 0.014275 -0.022004 0.020969 -0.005055 -0.028150 -0.002996 0.031147 14.032263 19.685049 -2.168262 5.449462 11.905943 -5.398155 10.505796 0.001175 123 C 6.004446 3.586220 10.031772 -0.164087 39.020215 0.48670193E+03 0.11771315E+05 10.088552 7.409886 -0.022841 1.950471 0.999487 30.675374 89.482127 0.598622 0.423050 -1.059874 0.021603 -0.004255 0.004224 0.022420 0.023810 -0.018829 0.021274 0.001962 -0.019145 -0.042786 0.015686 0.027100 12.582935 12.003973 -2.479592 3.849614 14.302206 -7.201327 11.442626 0.000657 124 C 7.165147 3.211728 10.684650 0.003785 38.561632 0.40209549E+03 0.91918507E+04 9.874098 6.599712 0.021141 2.017615 0.999230 26.469962 72.977853 0.659599 0.406211 -1.079988 -0.010588 0.030967 -0.022518 0.039726 0.006737 0.005082 0.013751 -0.005441 0.007224 -0.012096 -0.006692 0.018788 13.545670 10.938775 0.567205 1.262233 17.396002 -9.117375 12.302232 0.013284 125 C 8.321131 3.888320 10.522086 -0.115410 36.844861 0.44526466E+03 0.10570705E+05 9.795961 7.138591 -0.119751 1.934015 0.999423 29.798863 87.153626 0.601149 0.429179 -1.052223 -0.011484 0.019460 0.002428 0.022726 -0.032008 0.010735 0.039209 -0.017625 0.070653 -0.058908 0.005621 0.053288 12.199144 11.115390 3.275389 -0.849323 15.599959 -6.893483 9.882084 0.002124 126 C 8.346796 5.085583 9.688290 0.018804 40.477914 0.42578180E+03 0.98832303E+04 10.233527 6.845671 -0.004442 2.007325 0.999159 26.791217 74.667720 0.639320 0.412740 -1.074643 -0.040699 0.003626 0.023099 0.046937 0.000655 0.006519 0.006267 -0.061444 0.036231 -0.037616 0.010194 0.027422 13.532367 16.612736 4.959106 -0.662476 14.674108 -5.807140 9.310258 0.006070 127 C 7.214783 5.468429 9.085230 -0.162143 36.460051 0.43832883E+03 0.10382856E+05 9.657349 7.071964 -0.078104 1.940539 0.999628 30.268013 88.917651 0.604335 0.427869 -1.051244 0.006500 -0.001656 0.024219 0.025131 -0.005823 -0.011406 0.015604 -0.083286 0.088143 -0.057997 0.012679 0.045318 11.490750 17.488719 1.757756 1.930798 9.529229 -2.917861 7.454304 -0.000312 128 C 9.656596 5.802549 9.491640 0.541181 27.364453 0.28965655E+03 0.62191466E+04 8.384382 6.032378 -0.111261 2.001794 0.999431 23.632694 67.255477 0.605527 0.471113 -1.020799 0.028738 0.053138 -0.011582 0.061512 -0.049606 -0.043532 0.064927 -0.074116 0.093135 -0.078998 -0.037877 0.116875 10.313953 12.011102 4.096380 -0.366295 10.501907 -3.772591 8.428850 0.001975 129 C 7.172174 2.000543 11.591862 0.597746 23.491627 0.25503215E+03 0.52937634E+04 7.684253 5.678247 0.003052 2.065228 0.999564 22.012286 61.199146 0.622403 0.474094 -1.021201 0.001472 -0.042437 0.033593 0.054144 -0.040623 -0.054160 0.087296 0.040033 0.045085 -0.096130 -0.028376 0.124507 9.967667 6.518858 0.569218 0.951177 13.437886 -6.324971 9.946258 0.001468 130 C 4.078047 10.438463 3.788790 0.076421 26.537369 0.32725393E+03 0.71656951E+04 7.741083 6.048395 0.305831 2.112284 0.999830 25.856633 71.716223 0.667277 0.419205 -1.062526 -0.041064 -0.025135 0.014715 0.050344 0.013182 -0.005040 0.027929 0.062624 0.036711 -0.052525 0.024580 0.027944 8.729878 11.128377 0.202175 0.152434 9.183922 -2.825408 5.877334 -0.000121 131 C 3.598264 11.602314 3.253902 -0.116619 30.414822 0.38281585E+03 0.86776590E+04 8.324423 6.440741 0.268398 2.066889 0.999780 27.989193 77.815258 0.664937 0.406362 -1.075734 -0.025004 0.000188 0.002678 0.025148 0.013958 -0.004256 -0.015728 -0.003988 -0.045988 -0.023133 -0.003899 0.027032 9.481914 12.711916 0.189977 0.119448 9.796056 -2.825854 5.937769 0.003772 132 C 2.258328 11.797217 3.138534 -0.095012 31.914869 0.40862692E+03 0.94299502E+04 8.687191 6.722958 0.208226 2.045022 0.999796 28.452984 80.228051 0.639880 0.414787 -1.068541 0.018137 -0.012746 0.005795 0.022913 -0.012058 0.006870 -0.010631 -0.034251 0.008415 -0.022851 -0.003175 0.026026 9.930914 15.151629 0.634200 -0.019157 8.852053 -2.316762 5.789060 -0.002624 133 C 1.303400 10.840799 3.626226 0.039284 40.962352 0.41821991E+03 0.96468750E+04 10.265665 6.783154 0.070901 2.033139 0.999348 26.365094 72.818715 0.643627 0.412563 -1.076701 -0.009520 0.014101 0.004440 0.017583 -0.002391 0.002688 -0.011486 0.010814 0.040597 -0.016666 -0.001822 0.018488 13.679448 24.416721 -2.193925 1.112398 10.138578 -2.563444 6.483045 0.005334 134 C 1.920578 9.664418 4.127028 0.054928 29.558144 0.34755836E+03 0.77686749E+04 8.487636 6.341080 -0.000238 2.013550 0.999305 26.687292 76.154417 0.631622 0.433840 -1.047619 0.048505 -0.003609 -0.004915 0.048887 0.033267 -0.021155 0.052657 -0.020668 0.154869 -0.079828 -0.000744 0.080572 10.269626 14.656514 -2.545831 1.905064 10.438897 -2.605061 5.713466 -0.000086 135 C -0.119288 10.967486 3.613116 0.075335 41.725026 0.40187471E+03 0.92004483E+04 10.401512 6.655755 -0.057317 1.990394 0.999185 26.264182 72.849086 0.647221 0.413366 -1.073541 0.000080 0.001733 -0.001480 0.002280 0.002916 -0.002765 -0.012128 0.014980 -0.045626 -0.021921 0.005266 0.016655 14.167183 24.211852 -3.193372 1.959478 8.407498 -3.781001 9.882199 -0.000109 136 C -0.869380 11.702550 2.674440 -0.151168 38.128443 0.43812828E+03 0.10349873E+05 9.925752 7.038170 -0.051354 1.949612 0.999538 30.032114 87.356749 0.611537 0.423984 -1.056398 -0.021665 -0.006605 0.009298 0.024483 0.021742 -0.020922 0.007187 -0.056888 0.052915 -0.051681 0.024694 0.026987 12.563725 17.901253 -4.291674 4.329668 8.952293 -4.677326 10.837628 -0.000393 137 C -2.208903 11.780511 2.705904 -0.007760 40.224055 0.42617270E+03 0.98673688E+04 10.111747 6.777715 0.057846 2.022203 0.999195 26.893312 74.187529 0.654453 0.404215 -1.083243 0.034470 -0.018319 0.021921 0.044769 0.009934 -0.006064 -0.009821 -0.016491 0.027747 -0.017614 -0.002654 0.020269 13.740512 15.825827 -4.244558 4.418662 11.086988 -7.318292 14.308721 0.002285 138 C -2.982565 11.094173 3.694398 -0.130081 36.442940 0.47475544E+03 0.11424771E+05 9.660449 7.348621 -0.099108 1.931517 0.999374 30.276929 88.439186 0.596699 0.426553 -1.056440 0.006508 -0.004177 -0.000332 0.007740 -0.000803 0.002335 0.044582 -0.005157 -0.047566 -0.049265 0.005435 0.043830 11.475119 10.896207 -0.957864 0.691418 10.015914 -6.575101 13.513235 0.002569 139 C -2.211758 10.384168 4.656672 0.004263 39.099306 0.43250782E+03 0.10074540E+05 9.961030 6.886331 0.008141 2.005783 0.999228 27.096018 75.545781 0.639531 0.411162 -1.076124 0.030390 0.020004 -0.022034 0.042535 -0.005974 0.016659 -0.000945 -0.017203 0.037180 -0.023670 0.002721 0.020949 12.751343 15.206549 1.163077 -2.465279 9.779846 -6.274771 13.267635 0.008697 140 C -0.882501 10.339619 4.622586 -0.151322 36.385194 0.44238869E+03 0.10495270E+05 9.662191 7.113264 -0.084521 1.941941 0.999482 30.086011 88.233427 0.601938 0.428909 -1.051401 -0.013631 0.012085 -0.001668 0.018293 -0.010372 0.026700 0.018330 -0.077709 0.053517 -0.060147 0.016231 0.043915 11.554948 17.632766 0.787970 -2.431365 7.383449 -3.383889 9.648630 0.000219 141 C -3.051708 12.590752 1.704300 0.601241 23.045783 0.25400551E+03 0.52692581E+04 7.577358 5.672769 -0.002248 2.061509 0.999505 22.080192 61.450030 0.621472 0.475093 -1.020254 -0.032418 0.030892 -0.034881 0.056762 0.024093 -0.024821 0.095286 -0.101612 0.005250 -0.098004 -0.026203 0.124207 9.598441 10.098405 -2.949263 3.443177 8.352188 -4.773164 10.344729 -0.000096 142 C 11.137882 9.586457 5.718582 0.551012 24.335253 0.28864626E+03 0.61773084E+04 7.773551 6.025630 -0.098632 2.010903 0.999075 23.276656 65.621786 0.606740 0.471705 -1.022913 -0.015469 -0.033687 0.049975 0.062222 -0.022578 0.011522 0.076432 -0.103600 0.014552 -0.076497 -0.031007 0.107504 9.285936 10.106518 1.819324 -2.761667 7.669579 -4.198174 10.081711 0.000007 143 C 0.350239 7.779425 20.396538 0.084032 26.922609 0.35321567E+03 0.79016793E+04 7.925530 6.351181 0.163912 2.064848 0.999724 26.382569 74.531216 0.639332 0.428253 -1.054396 -0.045033 -0.011779 0.002173 0.046599 -0.011365 -0.013096 -0.038496 0.006158 -0.038240 -0.049172 0.014562 0.034611 8.933761 11.020682 -0.555457 -2.109295 6.653879 3.166493 9.126723 -0.000330 144 C 0.462235 8.635608 21.531864 -0.118756 30.579946 0.39700019E+03 0.90613519E+04 8.322544 6.528754 0.371766 2.099152 0.999783 28.018328 77.602141 0.666504 0.402625 -1.080608 -0.022384 -0.004934 0.006461 0.023815 0.007855 0.010638 0.016393 0.032541 -0.002109 -0.026404 -0.000428 0.026833 9.388375 12.330252 -0.555018 -1.869075 6.786135 3.248117 9.048740 0.004716 145 C -0.689240 9.017061 22.174254 -0.087155 31.059473 0.39572704E+03 0.90675614E+04 8.564686 6.633661 0.147871 2.031110 0.999753 28.139765 79.298663 0.641017 0.417006 -1.066147 0.007081 -0.017080 -0.009723 0.020890 0.001436 0.009372 0.002204 -0.047942 0.029726 -0.031086 0.011268 0.019818 9.793302 14.155272 -1.270821 -2.231066 6.371586 2.899897 8.853047 -0.002678 146 C -1.936122 8.701039 21.660342 0.047796 37.488430 0.40021032E+03 0.91502429E+04 9.748399 6.658639 -0.014545 2.008036 0.999269 26.217114 72.603095 0.644834 0.415445 -1.072501 0.002456 0.009115 0.017985 0.020313 0.003663 -0.006854 0.000608 -0.014486 -0.044185 -0.017523 0.002006 0.015517 12.735410 18.134115 -3.551007 -5.103821 8.632402 4.929177 11.439715 0.003401 147 C -1.965229 7.917250 20.540748 0.019735 30.415812 0.35412492E+03 0.79426827E+04 8.589457 6.345371 0.174033 2.058577 0.999758 27.105888 77.167410 0.640481 0.426372 -1.053488 0.050087 -0.026668 -0.016164 0.059001 0.011507 0.009226 -0.061835 0.002302 -0.082066 -0.074651 0.016734 0.057917 10.525002 13.101189 -2.764287 -3.761089 8.106400 4.486029 10.367418 -0.000457 148 C 11.003441 9.113121 22.313220 0.062098 41.943624 0.42543930E+03 0.98671972E+04 10.441552 6.839107 -0.060908 1.983060 0.999131 26.704664 74.246077 0.640556 0.412280 -1.075606 -0.004585 -0.007660 0.001046 0.008988 -0.009067 -0.013857 0.021761 0.020261 -0.004433 -0.027666 -0.002840 0.030506 14.015727 19.667863 -2.161480 -5.440863 11.887783 5.386912 10.491536 -0.000243 149 C -3.178490 10.335443 23.141772 -0.165223 39.007675 0.48671067E+03 0.11770481E+05 10.083004 7.407958 -0.020683 1.951091 0.999490 30.674961 89.449665 0.598998 0.422822 -1.060116 -0.021434 0.003898 0.003283 0.022031 0.024190 0.018519 -0.021803 0.002904 -0.019227 -0.043220 0.015657 0.027563 12.571799 11.999526 -2.476419 -3.846808 14.283870 7.189792 11.432002 -0.000563 150 C 9.867809 10.709935 23.794650 0.006380 38.507278 0.40168473E+03 0.91794518E+04 9.861873 6.594644 0.027938 2.019649 0.999254 26.456392 72.911287 0.660155 0.406002 -1.080205 0.010495 -0.029355 -0.021853 0.038072 0.006679 -0.004945 -0.011515 -0.007551 0.006752 -0.009740 -0.007319 0.017059 13.521756 10.928709 0.568009 -1.260075 17.357539 9.093670 12.279019 0.000511 151 C 8.711825 10.033343 23.632086 -0.116428 36.844090 0.44537726E+03 0.10573622E+05 9.794018 7.138430 -0.118709 1.934297 0.999424 29.803080 87.155522 0.601315 0.429051 -1.052343 0.011032 -0.019814 0.001588 0.022734 -0.032137 -0.010876 -0.039760 -0.016893 0.071367 -0.059437 0.005674 0.053764 12.193990 11.115451 3.274618 0.848729 15.589111 6.887068 9.877407 0.002227 152 C 8.686160 8.836080 22.798290 0.020280 40.424932 0.42520901E+03 0.98667421E+04 10.226693 6.842495 -0.005309 2.007427 0.999156 26.767817 74.593607 0.639259 0.412912 -1.074517 0.040420 -0.003292 0.022848 0.046547 0.000248 -0.006450 -0.006489 -0.062142 0.038121 -0.038246 0.010568 0.027678 13.521035 16.602191 4.953920 0.660886 14.657938 5.799802 9.302975 0.005751 153 C 9.818173 8.453234 22.195230 -0.161412 36.404887 0.43758868E+03 0.10360529E+05 9.647946 7.066158 -0.077273 1.941351 0.999626 30.232618 88.781475 0.604586 0.427890 -1.051274 -0.006727 0.001790 0.023333 0.024350 -0.005938 0.011565 -0.016337 -0.083065 0.089342 -0.058120 0.011955 0.046165 11.478543 17.472592 1.756469 -1.928377 9.516555 2.912739 7.446482 0.000074 154 C 7.376360 8.119114 22.601640 0.541290 27.350191 0.28949194E+03 0.62148545E+04 8.381855 6.030858 -0.110817 2.002098 0.999425 23.628452 67.243734 0.605562 0.471143 -1.020762 -0.028938 -0.052847 -0.011973 0.061429 -0.049183 0.043636 -0.065270 -0.073681 0.092365 -0.078438 -0.038480 0.116917 10.310255 12.005758 4.093365 0.365572 10.496910 3.771438 8.428098 0.001963 155 C 9.860782 11.921120 24.701862 0.597318 23.519195 0.25540554E+03 0.53027773E+04 7.688313 5.681571 0.005321 2.065638 0.999580 22.014068 61.185918 0.622437 0.473956 -1.021406 -0.001395 0.042638 0.033528 0.054259 -0.040798 0.054379 -0.086890 0.039177 0.045907 -0.095451 -0.029070 0.124521 9.971060 6.523140 0.570850 -0.951978 13.440318 6.325586 9.949722 -0.000028 156 C 12.954909 3.483200 16.898790 0.075312 26.566465 0.32769923E+03 0.71777994E+04 7.746028 6.052124 0.306307 2.112068 0.999830 25.876127 71.779259 0.667143 0.419152 -1.062572 0.041183 0.025381 0.013855 0.050321 0.013260 0.005181 -0.027424 0.063301 0.035514 -0.052366 0.023949 0.028417 8.735911 11.136844 0.203314 -0.151984 9.190472 2.827248 5.880417 0.000001 157 C 13.434692 2.319349 16.363902 -0.116524 30.414687 0.38278226E+03 0.86767215E+04 8.324136 6.440027 0.268057 2.066751 0.999780 27.989443 77.815588 0.665040 0.406307 -1.075768 0.024933 0.000196 0.001802 0.024998 0.013925 0.004446 0.015974 -0.003995 -0.046171 -0.023340 -0.003883 0.027223 9.482317 12.715003 0.191873 -0.118440 9.795369 2.825135 5.936578 0.003782 158 C 0.567628 2.124446 16.248534 -0.095143 31.923014 0.40871161E+03 0.94325557E+04 8.689547 6.724185 0.206773 2.044625 0.999794 28.454068 80.238391 0.639735 0.414852 -1.068481 -0.018004 0.013001 0.004952 0.022753 -0.012082 -0.006799 0.010654 -0.033940 0.008242 -0.022683 -0.003270 0.025952 9.934676 15.161564 0.635685 0.019769 8.853029 2.316402 5.789434 -0.002582 159 C 1.522556 3.080864 16.736226 0.040012 40.979566 0.41827244E+03 0.96488728E+04 10.270397 6.784642 0.068724 2.032406 0.999346 26.366798 72.838301 0.643373 0.412692 -1.076563 0.009515 -0.013777 0.003829 0.017175 -0.002341 -0.002625 0.011532 0.010218 0.041402 -0.016519 -0.002210 0.018730 13.689082 24.439903 -2.195995 -1.113253 10.142081 2.563894 6.485262 0.005551 160 C 0.905378 4.257245 17.237028 0.054381 29.573610 0.34773395E+03 0.77736158E+04 8.490900 6.342849 0.000820 2.013809 0.999307 26.694046 76.179777 0.631506 0.433863 -1.047601 -0.048362 0.003796 -0.005536 0.048826 0.033402 0.021133 -0.052643 -0.020049 0.154684 -0.079901 -0.000545 0.080446 10.275251 14.668092 -2.549179 -1.906418 10.442775 2.605577 5.714886 0.000052 161 C 2.945244 2.954177 16.723116 0.074063 41.796902 0.40248602E+03 0.92182552E+04 10.413125 6.660418 -0.057547 1.989981 0.999188 26.289174 72.941490 0.647030 0.413317 -1.073537 0.000145 -0.001287 -0.001616 0.002071 0.002954 0.003057 0.012184 0.016022 -0.046911 -0.022381 0.004995 0.017387 14.187866 24.249719 -3.201541 -1.966090 8.419147 3.787846 9.894733 0.001006 162 C 3.695336 2.219113 15.784440 -0.149973 38.120044 0.43784343E+03 0.10342239E+05 9.926513 7.036916 -0.052778 1.949290 0.999535 30.025755 87.355833 0.611411 0.424109 -1.056241 0.022335 0.006529 0.008665 0.024830 0.021169 0.020300 -0.006807 -0.056962 0.052632 -0.050951 0.024234 0.026717 12.568124 17.905274 -4.296277 -4.334632 8.956728 4.681935 10.842369 0.000394 163 C 5.034859 2.141152 15.815904 -0.010955 40.374431 0.42758588E+03 0.99103882E+04 10.144198 6.793895 0.045513 2.018115 0.999167 26.937588 74.399853 0.652820 0.404805 -1.082618 -0.035277 0.019609 0.023181 0.046543 0.011234 0.007552 0.007855 -0.016943 0.025680 -0.018800 -0.000924 0.019723 13.795356 15.882384 -4.271094 -4.448297 11.134103 7.356752 14.369582 0.015395 164 C 5.808521 2.827490 16.804398 -0.129467 36.460881 0.47484026E+03 0.11428334E+05 9.666244 7.350744 -0.101454 1.930771 0.999371 30.282698 88.487499 0.596382 0.426723 -1.056241 -0.006448 0.004068 -0.001385 0.007749 -0.000988 -0.002753 -0.044037 -0.005569 -0.047122 -0.048645 0.005196 0.043449 11.485396 10.903191 -0.962366 -0.696737 10.026518 6.584766 13.526478 0.002082 165 C 5.037714 3.537495 17.766672 0.002958 39.169974 0.43324028E+03 0.10096088E+05 9.971910 6.891149 0.008803 2.005555 0.999233 27.125305 75.649560 0.639434 0.411042 -1.076180 -0.030626 -0.019585 -0.022459 0.042731 -0.005668 -0.016203 0.001628 -0.016837 0.037188 -0.022998 0.002185 0.020813 12.769012 15.222529 1.163296 2.466555 9.795515 6.288382 13.288991 0.009067 166 C 3.708457 3.582044 17.732586 -0.152839 36.491799 0.44379297E+03 0.10538026E+05 9.681833 7.125099 -0.087749 1.940070 0.999484 30.149367 88.488912 0.601305 0.428976 -1.051251 0.013950 -0.011820 -0.002404 0.018441 -0.010669 -0.026829 -0.017194 -0.077071 0.053669 -0.059941 0.017338 0.042603 11.581074 17.672401 0.788105 2.434858 7.400346 3.394218 9.670474 -0.000507 167 C 5.877664 1.330911 14.814300 0.601831 23.012667 0.25352819E+03 0.52575530E+04 7.571779 5.667881 -0.003514 2.061480 0.999485 22.075754 61.452690 0.621587 0.475167 -1.020084 0.032636 -0.030699 -0.034833 0.056753 0.024581 0.025455 -0.095429 -0.101444 0.004784 -0.098866 -0.025419 0.124285 9.593809 10.091678 -2.950006 -3.443779 8.349470 4.772129 10.340281 0.001306 168 C 5.895074 4.335206 18.828582 0.551388 24.338117 0.28863746E+03 0.61773090E+04 7.775300 6.026180 -0.100081 2.010378 0.999081 23.278240 65.635444 0.606592 0.471805 -1.022820 0.015570 0.034276 0.049668 0.062324 -0.022927 -0.011998 -0.076604 -0.103415 0.014498 -0.077135 -0.030473 0.107608 9.289495 10.107920 1.821252 2.763999 7.673598 4.201919 10.086967 0.000122 169 N 6.244238 7.448090 19.376580 -0.189257 38.351026 0.51493145E+03 0.12429854E+05 9.618878 7.409213 -0.090180 1.991345 0.999371 27.826461 76.952837 0.634693 0.399785 -1.092352 0.012682 0.075144 -0.124722 0.146161 -0.005790 0.021444 0.046490 0.035307 -0.127697 -0.075354 0.029519 0.045834 11.621790 15.023992 -1.890565 4.177398 9.047665 -4.080397 10.793714 0.060299 170 N 6.736035 4.418736 22.014312 -0.181426 37.722743 0.49066045E+03 0.11708755E+05 9.500421 7.239516 -0.078828 1.998640 0.999296 27.539697 75.869242 0.640777 0.400562 -1.091180 0.058265 -0.122070 0.049296 0.143965 0.058450 -0.003463 0.029125 0.053727 0.083687 -0.084537 0.027367 0.057170 11.328745 14.871921 0.580218 1.083237 11.605160 -3.452527 7.509155 0.065292 171 N 10.788718 6.473573 6.266580 -0.189192 38.336602 0.51478630E+03 0.12425304E+05 9.616650 7.408507 -0.090338 1.991432 0.999370 27.819373 76.926542 0.634688 0.399821 -1.092342 -0.012674 -0.075649 -0.124368 0.146119 -0.005883 -0.021425 -0.046763 0.035365 -0.128783 -0.075809 0.029847 0.045962 11.617736 15.018036 -1.888770 -4.174713 9.044666 4.078509 10.790506 0.059692 172 N 10.296921 9.502927 8.904312 -0.181534 37.721707 0.49059243E+03 0.11706399E+05 9.498881 7.237879 -0.076001 1.999442 0.999302 27.540631 75.862521 0.641018 0.400436 -1.091296 -0.058230 0.121784 0.049841 0.143896 0.058230 0.003382 -0.028768 0.053584 0.083568 -0.084149 0.027283 0.056866 11.327760 14.873693 0.579762 -1.082793 11.603203 3.451104 7.506385 0.065973 173 N 3.685218 6.473573 6.843420 -0.189242 38.349881 0.51491626E+03 0.12429359E+05 9.618586 7.409034 -0.090068 1.991381 0.999371 27.826045 76.950537 0.634711 0.399777 -1.092360 -0.012678 -0.075132 0.124722 0.146155 -0.005788 0.021436 0.046470 0.035316 -0.127686 -0.075333 0.029505 0.045828 11.621371 15.023536 -1.890473 4.177163 9.047370 -4.080169 10.793207 0.060231 174 N 3.193421 9.502927 4.205688 -0.181368 37.720272 0.49062290E+03 0.11707582E+05 9.499852 7.239115 -0.078610 1.998713 0.999297 27.538751 75.864624 0.640814 0.400548 -1.091195 -0.058245 0.122057 -0.049277 0.143939 0.058419 -0.003460 0.029092 0.053711 0.083605 -0.084483 0.027348 0.057135 11.328038 14.871311 0.580141 1.083159 11.604151 -3.452159 7.508651 0.065156 175 N -0.859262 7.448090 19.953420 -0.189142 38.334246 0.51474798E+03 0.12424085E+05 9.616095 7.408104 -0.090077 1.991521 0.999371 27.818337 76.921493 0.634725 0.399807 -1.092357 0.012682 0.075669 0.124321 0.146090 -0.005882 -0.021424 -0.046721 0.035381 -0.128713 -0.075762 0.029809 0.045952 11.617044 15.017318 -1.888666 -4.174494 9.043940 4.078132 10.789874 0.059546 176 N -0.367465 4.418736 17.315688 -0.181493 37.719269 0.49055709E+03 0.11705288E+05 9.498311 7.237502 -0.075781 1.999519 0.999303 27.539678 75.857820 0.641054 0.400423 -1.091311 0.058230 -0.121746 -0.049875 0.143876 0.058217 0.003383 -0.028744 0.053562 0.083484 -0.084112 0.027267 0.056845 11.327005 14.872796 0.579806 -1.082593 11.602421 3.450737 7.505797 0.065840 177 O -0.722822 8.169232 15.902430 -0.568268 32.017447 0.51460503E+03 0.12259216E+05 7.908891 6.963548 0.403603 2.130156 0.999265 29.186955 76.843333 0.727611 0.353361 -1.141362 0.029473 -0.045901 -0.031728 0.063105 -0.068377 0.065949 0.091578 0.078946 0.147273 -0.163085 0.052743 0.110341 8.332246 10.430206 0.065517 3.282142 6.065735 -0.934562 8.500798 0.005398 178 O 0.377286 7.090303 17.487429 -0.568847 50.748438 0.67072724E+03 0.17069806E+05 11.089555 8.078182 -0.090959 1.993987 0.997318 29.141344 79.256014 0.659646 0.364849 -1.132463 -0.016201 0.009155 -0.069278 0.071734 -0.006455 -0.049686 -0.020604 -0.069352 0.066272 -0.074412 0.018486 0.055926 14.342723 10.294121 4.951623 -4.541097 18.602179 -8.110887 14.131869 0.062957 179 O 1.791052 12.060337 13.837081 -0.520953 30.925831 0.46771969E+03 0.10861072E+05 7.844532 6.647996 0.419486 2.181782 0.999166 27.010238 69.825156 0.744375 0.354346 -1.142486 0.010443 -0.006821 0.016158 0.020412 -0.048371 0.006831 0.016740 0.028182 0.105510 -0.070858 0.030201 0.040657 9.182670 6.817770 -1.372514 1.992598 10.110902 -4.541868 10.619337 0.057945 180 O 3.756606 12.686811 14.729347 -0.542319 31.944141 0.49185209E+03 0.11568617E+05 8.016730 6.821319 0.394835 2.164073 0.999110 27.557909 71.751140 0.734050 0.354759 -1.141896 -0.014904 -0.018204 -0.001720 0.023590 0.021538 -0.044719 0.034332 -0.021484 -0.062951 -0.073653 0.032420 0.041233 9.321945 6.954297 2.273216 -0.744622 13.104851 -3.769214 7.906688 0.060207 181 O 12.228461 0.705828 25.357624 -0.547287 32.143302 0.50156496E+03 0.11839607E+05 8.021223 6.865966 0.403685 2.165454 0.999074 27.652074 71.822854 0.736188 0.352458 -1.145231 0.001914 0.011910 -0.014729 0.019038 0.021385 -0.023981 -0.004574 -0.075797 0.076873 -0.061948 0.020778 0.041170 9.310682 7.031699 -1.170791 1.364266 9.462092 -4.554640 11.438254 -0.072878 182 O -0.016270 1.347617 24.465358 -0.501932 30.268213 0.44702853E+03 0.10277334E+05 7.735380 6.519936 0.352721 2.167689 0.999082 26.611621 68.746152 0.747099 0.356601 -1.139177 -0.013495 0.007776 -0.005274 0.016444 -0.008379 0.014686 0.060032 -0.006897 -0.062022 -0.069580 0.010477 0.059104 8.911558 11.149066 -2.695852 3.168390 7.330534 -2.304044 8.255075 0.040837 183 O 0.024680 4.390893 20.519510 -0.546118 27.492033 0.43813449E+03 0.99988088E+04 7.043262 6.371687 0.806728 2.293234 0.999536 27.340282 69.829368 0.772383 0.347482 -1.149281 -0.009375 -0.009067 -0.000463 0.013051 -0.000217 -0.009004 0.080532 0.038384 -0.138670 -0.105839 0.041264 0.064575 7.519418 10.707649 0.628029 -1.612537 5.664109 -0.838033 6.186494 0.000067 184 O 12.230900 4.910171 19.623310 -0.562751 35.285415 0.56432544E+03 0.13738414E+05 8.565724 7.330571 0.287766 2.117256 0.998925 28.427908 75.322703 0.704566 0.357090 -1.139933 0.032381 -0.019314 0.019551 0.042471 -0.005291 0.014069 -0.030218 -0.024160 0.048551 -0.026917 -0.017170 0.044086 9.705637 7.953749 0.588210 -1.254691 9.457333 -4.026849 11.705829 0.073856 185 O 3.548778 5.752431 2.792430 -0.569952 32.100812 0.51629522E+03 0.12309931E+05 7.923442 6.975781 0.402960 2.129473 0.999264 29.222012 76.975730 0.726825 0.353443 -1.141263 -0.028702 0.046634 -0.030803 0.062828 -0.068579 -0.065830 -0.092713 0.080506 0.146976 -0.164236 0.053433 0.110803 8.348082 10.448265 0.065266 -3.289163 6.076688 0.937953 8.519291 0.004709 186 O 2.448670 6.831360 4.377429 -0.569234 50.764729 0.67097377E+03 0.17077774E+05 11.091940 8.079709 -0.090750 1.994002 0.997320 29.146482 79.275818 0.659573 0.364852 -1.132452 0.016852 -0.009157 -0.068724 0.071350 -0.006610 0.049586 0.020597 -0.070289 0.066874 -0.074741 0.018802 0.055940 14.345643 10.294728 4.950667 4.542107 18.602703 8.113826 14.139497 0.061367 187 O 1.034904 1.861326 0.727081 -0.517542 30.743410 0.46441168E+03 0.10763754E+05 7.809623 6.621373 0.426729 2.185244 0.999166 26.940410 69.549243 0.746485 0.354017 -1.142898 -0.009230 0.006951 0.015563 0.019383 -0.049110 -0.007546 -0.015629 0.027441 0.107012 -0.071528 0.031484 0.040044 9.136367 6.790897 -1.365307 -1.984683 10.052314 4.510008 10.565890 0.051653 188 O 13.276350 1.234852 1.619347 -0.538611 31.728113 0.48782772E+03 0.11448652E+05 7.975348 6.789239 0.402767 2.167850 0.999110 27.477511 71.426847 0.736565 0.354329 -1.142419 0.013704 0.017330 -0.001215 0.022127 0.022736 0.045379 -0.033695 -0.022929 -0.064576 -0.074639 0.033822 0.040816 9.267601 6.923496 2.263777 0.740127 13.020782 3.736245 7.858524 -0.059943 189 O 4.804495 13.215835 12.247624 -0.551203 32.355951 0.50554092E+03 0.11958668E+05 8.061296 6.896656 0.360264 2.150111 0.998975 27.731400 72.137001 0.733884 0.352819 -1.144782 -0.002896 -0.012872 -0.015860 0.020631 0.021128 0.023622 0.002899 -0.073164 0.072342 -0.060142 0.021448 0.038694 9.363815 7.069058 -1.185662 -1.381977 9.516907 4.587982 11.505481 0.074500 190 O 2.842226 12.574046 11.355358 -0.506203 30.483061 0.45080392E+03 0.10387514E+05 7.776880 6.551010 0.345518 2.164004 0.999082 26.695558 69.074832 0.744598 0.356993 -1.138692 0.014801 -0.007635 -0.004756 0.017320 -0.007911 -0.014212 -0.060606 -0.008140 -0.061676 -0.069600 0.009540 0.060060 8.966288 11.212281 -2.720438 -3.197027 7.377116 2.327106 8.309468 0.044682 191 O 2.801276 9.530770 7.409510 -0.546853 27.500745 0.43830548E+03 0.10003517E+05 7.043731 6.372047 0.807864 2.293365 0.999540 27.349311 69.851362 0.772535 0.347386 -1.149380 0.009688 0.009197 0.000997 0.013395 -0.000530 0.008440 -0.080607 0.038150 -0.137996 -0.105705 0.041037 0.064668 7.519945 10.707751 0.628794 1.613084 5.664932 0.838834 6.187151 0.000307 192 O 4.802056 9.011492 6.513310 -0.563168 35.331750 0.56514683E+03 0.13763798E+05 8.574295 7.336502 0.286176 2.116530 0.998921 28.442632 75.383345 0.704176 0.357148 -1.139855 -0.032267 0.019215 0.020700 0.042882 -0.004987 -0.013436 0.030230 -0.023815 0.048086 -0.026503 -0.017193 0.043697 9.717725 7.960318 0.591051 1.259003 9.470004 4.035455 11.722854 0.075734 193 O 10.652278 5.752431 10.317570 -0.568237 32.016911 0.51459505E+03 0.12258926E+05 7.908841 6.963513 0.403586 2.130159 0.999265 29.186514 76.842145 0.727607 0.353364 -1.141359 -0.029470 0.045906 0.031705 0.063096 -0.068354 0.065942 0.091553 0.078931 0.147247 -0.163044 0.052721 0.110323 8.332186 10.430064 0.065509 3.282092 6.065728 -0.934588 8.500766 0.005400 194 O 9.552170 6.831360 8.732571 -0.568771 50.746637 0.67069087E+03 0.17068672E+05 11.089406 8.078028 -0.091054 1.993973 0.997318 29.140414 79.253343 0.659643 0.364854 -1.132457 0.016208 -0.009140 0.069260 0.071716 -0.006455 -0.049661 -0.020605 -0.069346 0.066260 -0.074389 0.018479 0.055910 14.342632 10.293962 4.951623 -4.541104 18.602116 -8.110927 14.131818 0.062918 195 O 8.138404 1.861326 12.382919 -0.520956 30.926063 0.46772356E+03 0.10861185E+05 7.844574 6.648024 0.419468 2.181775 0.999166 27.010335 69.825513 0.744374 0.354346 -1.142486 -0.010441 0.006817 -0.016165 0.020416 -0.048372 0.006827 0.016738 0.028183 0.105517 -0.070858 0.030199 0.040659 9.182729 6.817788 -1.372521 1.992594 10.110993 -4.541920 10.619405 0.057949 196 O 6.172850 1.234852 11.490653 -0.542311 31.943405 0.49183908E+03 0.11568228E+05 8.016589 6.821216 0.394864 2.164087 0.999110 27.557660 71.750111 0.734058 0.354758 -1.141898 0.014905 0.018201 0.001711 0.023587 0.021541 -0.044716 0.034330 -0.021482 -0.062939 -0.073649 0.032420 0.041229 9.321756 6.954203 2.273187 -0.744600 13.104549 -3.769084 7.906514 0.060206 197 O -2.299005 13.215835 0.862376 -0.547445 32.149651 0.50171326E+03 0.11844062E+05 8.022522 6.867251 0.403339 2.165281 0.999075 27.655515 71.836249 0.736071 0.352486 -1.145201 -0.001980 -0.012057 0.014917 0.019282 0.021303 -0.023885 -0.004633 -0.075648 0.076770 -0.061786 0.020672 0.041114 9.312082 7.032946 -1.170946 1.364491 9.463435 -4.555026 11.439866 0.064867 198 O 9.945726 12.574046 1.754642 -0.501904 30.266890 0.44697611E+03 0.10275777E+05 7.734985 6.519327 0.352977 2.167808 0.999082 26.610015 68.739726 0.747177 0.356576 -1.139202 0.013332 -0.007776 0.005260 0.016306 -0.008374 0.014679 0.060142 -0.006827 -0.062185 -0.069710 0.010526 0.059184 8.911359 11.149051 -2.696137 3.168797 7.330160 -2.304196 8.254865 -0.045800 199 O 9.904776 9.530770 5.700490 -0.546266 27.497742 0.43825141E+03 0.10002164E+05 7.044253 6.372553 0.806601 2.293135 0.999536 27.343267 69.839829 0.772326 0.347484 -1.149277 0.009429 0.009085 0.000453 0.013102 -0.000246 -0.008974 0.080530 0.038358 -0.138662 -0.105828 0.041244 0.064583 7.520507 10.709224 0.628134 -1.612843 5.664884 -0.838247 6.187415 0.000267 200 O -2.301444 9.011492 6.596690 -0.563063 35.298359 0.56457464E+03 0.13746073E+05 8.567929 7.332268 0.287487 2.117086 0.998926 28.433177 75.342376 0.704470 0.357097 -1.139921 -0.032456 0.019343 -0.019589 0.042559 -0.005311 0.014102 -0.030150 -0.024196 0.048491 -0.026912 -0.017125 0.044038 9.708387 7.955846 0.588682 -1.255475 9.460002 -4.028329 11.709312 0.074645 201 O 6.380678 8.169232 23.427570 -0.569948 32.103857 0.51635563E+03 0.12311762E+05 7.924047 6.976278 0.402837 2.129423 0.999264 29.222834 76.979736 0.726783 0.353452 -1.141252 0.028739 -0.046611 0.030803 0.062828 -0.068569 -0.065811 -0.092658 0.080495 0.147071 -0.164185 0.053403 0.110782 8.348739 10.449039 0.065262 -3.289465 6.077152 0.938118 8.520027 0.004809 202 O 7.480786 7.090303 21.842571 -0.569410 50.774872 0.67111798E+03 0.17082428E+05 11.093465 8.080616 -0.090828 1.993935 0.997320 29.149480 79.287238 0.659529 0.364856 -1.132445 -0.016855 0.009180 0.068711 0.071341 -0.006663 0.049622 0.020589 -0.070394 0.067037 -0.074831 0.018862 0.055969 14.347932 10.296377 4.951811 4.543105 18.605639 8.115349 14.141781 0.061901 203 O 8.894552 12.060337 25.492919 -0.517565 30.743147 0.46437874E+03 0.10762757E+05 7.809417 6.620923 0.426905 2.185327 0.999166 26.939456 69.545108 0.746550 0.353994 -1.142921 0.009135 -0.006900 -0.015402 0.019191 -0.049225 -0.007588 -0.015726 0.027573 0.107194 -0.071714 0.031565 0.040149 9.136409 6.790608 -1.365448 -1.984814 10.052450 4.510583 10.566168 -0.057923 204 O -3.346894 12.686811 24.600653 -0.538767 31.734565 0.48797787E+03 0.11453132E+05 7.976643 6.790538 0.402482 2.167692 0.999111 27.481151 71.440813 0.736449 0.354356 -1.142390 -0.013820 -0.017509 0.001237 0.022340 0.022695 0.045322 -0.033590 -0.022992 -0.064440 -0.074507 0.033767 0.040740 9.268963 6.924640 2.263908 0.740138 13.022347 3.736599 7.859902 0.053393 205 O 5.124961 0.705828 13.972376 -0.551208 32.355967 0.50554218E+03 0.11958706E+05 8.061295 6.896665 0.360269 2.150111 0.998975 27.731455 72.137173 0.733884 0.352819 -1.144782 0.002899 0.012871 0.015853 0.020625 0.021131 0.023628 0.002899 -0.073167 0.072341 -0.060147 0.021449 0.038699 9.363799 7.069047 -1.185628 -1.381929 9.516901 4.587965 11.505449 0.074487 206 O 7.087230 1.347617 14.864642 -0.506212 30.483750 0.45081637E+03 0.10387879E+05 7.777012 6.551113 0.345491 2.163991 0.999082 26.695827 69.075915 0.744590 0.356995 -1.138690 -0.014801 0.007632 0.004747 0.017317 -0.007913 -0.014213 -0.060610 -0.008144 -0.061685 -0.069606 0.009540 0.060066 8.966450 11.212431 -2.720509 -3.197106 7.377276 2.327185 8.309643 0.044676 207 O 7.128180 4.390893 18.810490 -0.546870 27.501640 0.43832540E+03 0.10004091E+05 7.043889 6.372202 0.807765 2.293323 0.999540 27.349801 69.853170 0.772523 0.347387 -1.149378 -0.009706 -0.009176 -0.000987 0.013393 -0.000523 0.008443 -0.080602 0.038137 -0.137972 -0.105695 0.041029 0.064665 7.520096 10.707894 0.628801 1.613090 5.665082 0.838887 6.187313 0.000307 208 O 5.127400 4.910171 19.706690 -0.563200 35.334340 0.56519450E+03 0.13765272E+05 8.574761 7.336841 0.286073 2.116483 0.998921 28.443548 75.387042 0.704154 0.357151 -1.139851 0.032284 -0.019198 -0.020694 0.042885 -0.005001 -0.013436 0.030214 -0.023831 0.048114 -0.026493 -0.017199 0.043692 9.718347 7.960732 0.591195 1.259214 9.470635 4.035832 11.723673 0.075763 ****************************************************** Auxiliary information for the entire system The total spin magnetic moment of the unit cell is 5.795209 The total net atomic charge of the unit cell is -0.000001 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= 508979 The rms potential error without charges in kcal/mol is= 7.22544 The rms potential error with partial charges in kcal/mol is= 1.26629 The RRMSE value at monopole order= 0.17525 The rms potential error with partial charges and cloud penetration in kcal/mol is= 1.26676 The RRMSE value at monopole order with cloud penetration is= 0.17532 The rms potential error with partial charges and atomic dipoles in kcal/mol is= 0.54470 The RRMSE value at dipole order= 0.07539 The rms potential error with partial charges, atomic dipoles and cloud penetration in kcal/mol is= 0.52749 The RRMSE value at dipole order with cloud penetration= 0.07300 ****************************************************** 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.